USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 34 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-0.4) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 THR OG1 : rot -71:sc= 0.108 USER MOD Set 2.2: A 25 LYS NZ :NH3+ -118:sc= -2.09 (180deg=-5.46!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc=-0.00124 (180deg=-0.21) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0.463 (180deg=0.355) USER MOD Single : A 9 THR OG1 : rot -85:sc= 0.247 USER MOD Single : A 10 SER OG : rot 63:sc= 1.11 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0191 (180deg=-0.2) USER MOD Single : A 13 TYR OH : rot 15:sc= -0.511 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.00045) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.6!) USER MOD Single : A 38 HIS : no HE2:sc= -0.0589 X(o=-0.059,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 160:sc= -0.105 USER MOD Single : A 54 SER OG : rot 170:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= -0.0956 (180deg=-0.414) USER MOD Single : A 56 SER OG : rot 180:sc= -0.694 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -62:sc= 0.575 USER MOD Single : A 78 SER OG : rot 180:sc= -0.587 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc=-0.00513 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -71:sc= 0.563 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 108 HIS : no HD1:sc= -0.0965 X(o=-0.097,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.770 2.146 1.241 1.00 0.00 N ATOM 2 CA ALA A 1 1.376 1.593 2.445 1.00 0.00 C ATOM 3 C ALA A 1 2.623 0.783 2.110 1.00 0.00 C ATOM 4 O ALA A 1 2.536 -0.300 1.532 1.00 0.00 O ATOM 5 CB ALA A 1 0.370 0.731 3.194 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.077 2.693 1.498 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.452 2.769 0.764 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.501 1.372 0.601 1.00 0.00 H new ATOM 0 HA ALA A 1 1.675 2.423 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.836 0.324 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.491 1.338 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.043 -0.087 2.552 1.00 0.00 H new ATOM 11 N GLY A 2 3.786 1.315 2.476 1.00 0.00 N ATOM 12 CA GLY A 2 5.035 0.628 2.205 1.00 0.00 C ATOM 13 C GLY A 2 6.241 1.399 2.703 1.00 0.00 C ATOM 14 O GLY A 2 6.242 1.905 3.825 1.00 0.00 O ATOM 0 H GLY A 2 3.885 2.210 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.016 -0.354 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.130 0.464 1.132 1.00 0.00 H new ATOM 18 N SER A 3 7.271 1.487 1.868 1.00 0.00 N ATOM 19 CA SER A 3 8.492 2.197 2.232 1.00 0.00 C ATOM 20 C SER A 3 9.175 1.529 3.422 1.00 0.00 C ATOM 21 O SER A 3 8.720 1.644 4.560 1.00 0.00 O ATOM 22 CB SER A 3 8.177 3.657 2.565 1.00 0.00 C ATOM 23 OG SER A 3 7.321 4.229 1.591 1.00 0.00 O ATOM 0 H SER A 3 7.285 1.076 0.935 1.00 0.00 H new ATOM 0 HA SER A 3 9.171 2.163 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.707 3.716 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.103 4.229 2.620 1.00 0.00 H new ATOM 0 HG SER A 3 7.133 5.161 1.827 1.00 0.00 H new ATOM 29 N LYS A 4 10.271 0.829 3.149 1.00 0.00 N ATOM 30 CA LYS A 4 11.020 0.141 4.195 1.00 0.00 C ATOM 31 C LYS A 4 12.438 -0.175 3.730 1.00 0.00 C ATOM 32 O LYS A 4 12.884 0.311 2.690 1.00 0.00 O ATOM 33 CB LYS A 4 10.304 -1.150 4.598 1.00 0.00 C ATOM 34 CG LYS A 4 10.307 -1.404 6.096 1.00 0.00 C ATOM 35 CD LYS A 4 10.953 -2.737 6.434 1.00 0.00 C ATOM 36 CE LYS A 4 9.909 -3.796 6.756 1.00 0.00 C ATOM 37 NZ LYS A 4 8.885 -3.911 5.681 1.00 0.00 N ATOM 0 H LYS A 4 10.661 0.723 2.212 1.00 0.00 H new ATOM 0 HA LYS A 4 11.079 0.802 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.273 -1.109 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.779 -1.992 4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.843 -0.600 6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.283 -1.389 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.564 -3.070 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.622 -2.613 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.400 -4.759 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.420 -3.549 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.395 -4.825 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.195 -3.139 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.349 -3.850 4.752 1.00 0.00 H new ATOM 51 N LEU A 5 13.141 -0.993 4.505 1.00 0.00 N ATOM 52 CA LEU A 5 14.509 -1.375 4.172 1.00 0.00 C ATOM 53 C LEU A 5 14.683 -2.889 4.241 1.00 0.00 C ATOM 54 O LEU A 5 14.048 -3.561 5.054 1.00 0.00 O ATOM 55 CB LEU A 5 15.496 -0.694 5.121 1.00 0.00 C ATOM 56 CG LEU A 5 16.903 -0.459 4.571 1.00 0.00 C ATOM 57 CD1 LEU A 5 17.545 0.744 5.242 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.763 -1.700 4.761 1.00 0.00 C ATOM 0 H LEU A 5 12.787 -1.405 5.368 1.00 0.00 H new ATOM 0 HA LEU A 5 14.712 -1.049 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.078 0.268 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 5 15.577 -1.299 6.024 1.00 0.00 H new ATOM 0 HG LEU A 5 16.825 -0.254 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 5 18.546 0.895 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 5 16.940 1.631 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.610 0.570 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.761 -1.515 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.833 -1.935 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.312 -2.540 4.232 1.00 0.00 H new ATOM 70 N CYS A 6 15.547 -3.420 3.383 1.00 0.00 N ATOM 71 CA CYS A 6 15.807 -4.854 3.346 1.00 0.00 C ATOM 72 C CYS A 6 17.281 -5.147 3.614 1.00 0.00 C ATOM 73 O CYS A 6 18.152 -4.339 3.294 1.00 0.00 O ATOM 74 CB CYS A 6 15.399 -5.433 1.990 1.00 0.00 C ATOM 75 SG CYS A 6 13.605 -5.404 1.678 1.00 0.00 S ATOM 0 H CYS A 6 16.080 -2.878 2.703 1.00 0.00 H new ATOM 0 HA CYS A 6 15.213 -5.326 4.129 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.903 -4.874 1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.751 -6.462 1.926 1.00 0.00 H new ATOM 80 N GLU A 7 17.550 -6.308 4.204 1.00 0.00 N ATOM 81 CA GLU A 7 18.917 -6.706 4.515 1.00 0.00 C ATOM 82 C GLU A 7 19.137 -8.184 4.205 1.00 0.00 C ATOM 83 O GLU A 7 18.288 -9.025 4.499 1.00 0.00 O ATOM 84 CB GLU A 7 19.230 -6.431 5.988 1.00 0.00 C ATOM 85 CG GLU A 7 20.332 -7.313 6.551 1.00 0.00 C ATOM 86 CD GLU A 7 19.797 -8.580 7.188 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.253 -8.496 8.309 1.00 0.00 O ATOM 88 OE2 GLU A 7 19.921 -9.656 6.566 1.00 0.00 O ATOM 0 H GLU A 7 16.840 -6.988 4.476 1.00 0.00 H new ATOM 0 HA GLU A 7 19.590 -6.117 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.519 -5.386 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.324 -6.576 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.025 -7.577 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.900 -6.750 7.292 1.00 0.00 H new ATOM 95 N LYS A 8 20.284 -8.493 3.607 1.00 0.00 N ATOM 96 CA LYS A 8 20.618 -9.868 3.257 1.00 0.00 C ATOM 97 C LYS A 8 21.767 -10.385 4.116 1.00 0.00 C ATOM 98 O LYS A 8 22.616 -9.614 4.566 1.00 0.00 O ATOM 99 CB LYS A 8 20.993 -9.962 1.776 1.00 0.00 C ATOM 100 CG LYS A 8 19.880 -9.526 0.838 1.00 0.00 C ATOM 101 CD LYS A 8 18.928 -10.670 0.533 1.00 0.00 C ATOM 102 CE LYS A 8 17.482 -10.277 0.793 1.00 0.00 C ATOM 103 NZ LYS A 8 17.107 -10.460 2.223 1.00 0.00 N ATOM 0 H LYS A 8 20.997 -7.809 3.355 1.00 0.00 H new ATOM 0 HA LYS A 8 19.741 -10.487 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.873 -9.346 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.270 -10.990 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.327 -8.701 1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.311 -9.153 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.042 -10.972 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.187 -11.533 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.332 -9.236 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.824 -10.877 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.156 -10.072 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.112 -11.474 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.791 -9.962 2.828 1.00 0.00 H new ATOM 117 N THR A 9 21.790 -11.695 4.340 1.00 0.00 N ATOM 118 CA THR A 9 22.835 -12.315 5.145 1.00 0.00 C ATOM 119 C THR A 9 23.585 -13.377 4.350 1.00 0.00 C ATOM 120 O THR A 9 23.557 -14.559 4.693 1.00 0.00 O ATOM 121 CB THR A 9 22.256 -12.957 6.420 1.00 0.00 C ATOM 122 OG1 THR A 9 21.145 -12.189 6.895 1.00 0.00 O ATOM 123 CG2 THR A 9 23.315 -13.053 7.507 1.00 0.00 C ATOM 0 H THR A 9 21.096 -12.348 3.975 1.00 0.00 H new ATOM 0 HA THR A 9 23.527 -11.522 5.429 1.00 0.00 H new ATOM 0 HB THR A 9 21.921 -13.964 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 9 21.471 -11.452 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.882 -13.509 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 9 24.145 -13.664 7.153 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.677 -12.054 7.751 1.00 0.00 H new ATOM 131 N SER A 10 24.256 -12.949 3.285 1.00 0.00 N ATOM 132 CA SER A 10 25.012 -13.865 2.439 1.00 0.00 C ATOM 133 C SER A 10 24.079 -14.832 1.717 1.00 0.00 C ATOM 134 O SER A 10 24.492 -15.910 1.290 1.00 0.00 O ATOM 135 CB SER A 10 26.027 -14.645 3.275 1.00 0.00 C ATOM 136 OG SER A 10 25.599 -15.980 3.481 1.00 0.00 O ATOM 0 H SER A 10 24.291 -11.974 2.988 1.00 0.00 H new ATOM 0 HA SER A 10 25.544 -13.276 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.994 -14.643 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 10 26.166 -14.152 4.237 1.00 0.00 H new ATOM 0 HG SER A 10 25.535 -16.440 2.618 1.00 0.00 H new ATOM 142 N LYS A 11 22.816 -14.439 1.585 1.00 0.00 N ATOM 143 CA LYS A 11 21.822 -15.269 0.915 1.00 0.00 C ATOM 144 C LYS A 11 22.334 -15.742 -0.442 1.00 0.00 C ATOM 145 O LYS A 11 21.909 -16.780 -0.951 1.00 0.00 O ATOM 146 CB LYS A 11 20.516 -14.493 0.736 1.00 0.00 C ATOM 147 CG LYS A 11 19.352 -15.072 1.521 1.00 0.00 C ATOM 148 CD LYS A 11 19.508 -14.828 3.013 1.00 0.00 C ATOM 149 CE LYS A 11 18.413 -13.916 3.546 1.00 0.00 C ATOM 150 NZ LYS A 11 17.067 -14.542 3.434 1.00 0.00 N ATOM 0 H LYS A 11 22.457 -13.550 1.934 1.00 0.00 H new ATOM 0 HA LYS A 11 21.635 -16.143 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.672 -13.459 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.256 -14.475 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.420 -14.625 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.282 -16.143 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.480 -15.780 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.483 -14.382 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.616 -13.676 4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.423 -12.976 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.414 -14.083 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.710 -14.426 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.136 -15.555 3.659 1.00 0.00 H new ATOM 164 N THR A 12 23.251 -14.975 -1.024 1.00 0.00 N ATOM 165 CA THR A 12 23.821 -15.316 -2.321 1.00 0.00 C ATOM 166 C THR A 12 25.310 -14.995 -2.369 1.00 0.00 C ATOM 167 O THR A 12 25.879 -14.799 -3.443 1.00 0.00 O ATOM 168 CB THR A 12 23.109 -14.565 -3.462 1.00 0.00 C ATOM 169 OG1 THR A 12 22.957 -13.183 -3.120 1.00 0.00 O ATOM 170 CG2 THR A 12 21.744 -15.176 -3.744 1.00 0.00 C ATOM 0 H THR A 12 23.615 -14.113 -0.617 1.00 0.00 H new ATOM 0 HA THR A 12 23.679 -16.388 -2.457 1.00 0.00 H new ATOM 0 HB THR A 12 23.721 -14.651 -4.360 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.284 -13.093 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.261 -14.629 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.865 -16.220 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.127 -15.118 -2.847 1.00 0.00 H new ATOM 178 N TYR A 13 25.937 -14.944 -1.199 1.00 0.00 N ATOM 179 CA TYR A 13 27.361 -14.645 -1.107 1.00 0.00 C ATOM 180 C TYR A 13 28.167 -15.913 -0.840 1.00 0.00 C ATOM 181 O TYR A 13 28.764 -16.486 -1.752 1.00 0.00 O ATOM 182 CB TYR A 13 27.619 -13.621 -0.001 1.00 0.00 C ATOM 183 CG TYR A 13 29.084 -13.316 0.213 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.823 -12.650 -0.757 1.00 0.00 C ATOM 185 CD2 TYR A 13 29.729 -13.694 1.384 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.163 -12.370 -0.567 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.068 -13.416 1.583 1.00 0.00 C ATOM 188 CZ TYR A 13 31.780 -12.754 0.605 1.00 0.00 C ATOM 189 OH TYR A 13 33.114 -12.477 0.799 1.00 0.00 O ATOM 0 H TYR A 13 25.481 -15.106 -0.301 1.00 0.00 H new ATOM 0 HA TYR A 13 27.681 -14.226 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.096 -12.696 -0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.194 -13.991 0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.342 -12.346 -1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.175 -14.214 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.724 -11.853 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 13 31.554 -13.716 2.500 1.00 0.00 H new ATOM 0 HH TYR A 13 33.409 -11.813 0.142 1.00 0.00 H new ATOM 199 N SER A 14 28.179 -16.345 0.416 1.00 0.00 N ATOM 200 CA SER A 14 28.914 -17.543 0.806 1.00 0.00 C ATOM 201 C SER A 14 30.349 -17.491 0.291 1.00 0.00 C ATOM 202 O SER A 14 30.815 -16.454 -0.179 1.00 0.00 O ATOM 203 CB SER A 14 28.213 -18.793 0.272 1.00 0.00 C ATOM 204 OG SER A 14 28.153 -19.807 1.260 1.00 0.00 O ATOM 0 H SER A 14 27.688 -15.884 1.182 1.00 0.00 H new ATOM 0 HA SER A 14 28.939 -17.586 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.204 -18.537 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.745 -19.165 -0.604 1.00 0.00 H new ATOM 0 HG SER A 14 27.699 -20.594 0.894 1.00 0.00 H new ATOM 210 N GLY A 15 31.045 -18.620 0.383 1.00 0.00 N ATOM 211 CA GLY A 15 32.420 -18.684 -0.076 1.00 0.00 C ATOM 212 C GLY A 15 33.371 -17.932 0.834 1.00 0.00 C ATOM 213 O GLY A 15 33.202 -17.928 2.054 1.00 0.00 O ATOM 0 H GLY A 15 30.681 -19.492 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 15 32.731 -19.727 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 15 32.483 -18.271 -1.083 1.00 0.00 H new ATOM 217 N LYS A 16 34.376 -17.296 0.242 1.00 0.00 N ATOM 218 CA LYS A 16 35.359 -16.537 1.007 1.00 0.00 C ATOM 219 C LYS A 16 34.690 -15.407 1.783 1.00 0.00 C ATOM 220 O LYS A 16 33.464 -15.340 1.868 1.00 0.00 O ATOM 221 CB LYS A 16 36.430 -15.966 0.075 1.00 0.00 C ATOM 222 CG LYS A 16 35.909 -14.893 -0.865 1.00 0.00 C ATOM 223 CD LYS A 16 36.321 -15.164 -2.303 1.00 0.00 C ATOM 224 CE LYS A 16 36.627 -13.874 -3.048 1.00 0.00 C ATOM 225 NZ LYS A 16 37.823 -14.010 -3.924 1.00 0.00 N ATOM 0 H LYS A 16 34.532 -17.291 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 16 35.830 -17.214 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.238 -15.549 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.857 -16.777 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 16 34.822 -14.847 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.289 -13.920 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 16 37.199 -15.810 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 16 35.523 -15.701 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 16 35.765 -13.590 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 16 36.792 -13.070 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 37.998 -13.110 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 38.651 -14.256 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 37.656 -14.759 -4.626 1.00 0.00 H new ATOM 239 N CYS A 17 35.504 -14.520 2.346 1.00 0.00 N ATOM 240 CA CYS A 17 34.992 -13.392 3.114 1.00 0.00 C ATOM 241 C CYS A 17 35.859 -12.154 2.906 1.00 0.00 C ATOM 242 O CYS A 17 37.003 -12.102 3.356 1.00 0.00 O ATOM 243 CB CYS A 17 34.936 -13.745 4.602 1.00 0.00 C ATOM 244 SG CYS A 17 34.609 -12.322 5.692 1.00 0.00 S ATOM 0 H CYS A 17 36.521 -14.561 2.284 1.00 0.00 H new ATOM 0 HA CYS A 17 33.984 -13.172 2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 17 34.160 -14.494 4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.882 -14.201 4.892 1.00 0.00 H new ATOM 249 N ASP A 18 35.305 -11.160 2.220 1.00 0.00 N ATOM 250 CA ASP A 18 36.026 -9.921 1.953 1.00 0.00 C ATOM 251 C ASP A 18 35.099 -8.716 2.070 1.00 0.00 C ATOM 252 O ASP A 18 33.881 -8.864 2.167 1.00 0.00 O ATOM 253 CB ASP A 18 36.655 -9.963 0.559 1.00 0.00 C ATOM 254 CG ASP A 18 38.170 -9.916 0.606 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.718 -8.891 1.064 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.807 -10.904 0.185 1.00 0.00 O ATOM 0 H ASP A 18 34.359 -11.188 1.839 1.00 0.00 H new ATOM 0 HA ASP A 18 36.816 -9.822 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.338 -10.872 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.286 -9.122 -0.028 1.00 0.00 H new ATOM 261 N ASN A 19 35.683 -7.522 2.061 1.00 0.00 N ATOM 262 CA ASN A 19 34.909 -6.291 2.168 1.00 0.00 C ATOM 263 C ASN A 19 34.351 -5.879 0.809 1.00 0.00 C ATOM 264 O ASN A 19 33.138 -5.762 0.633 1.00 0.00 O ATOM 265 CB ASN A 19 35.776 -5.166 2.738 1.00 0.00 C ATOM 266 CG ASN A 19 34.966 -3.933 3.090 1.00 0.00 C ATOM 267 OD1 ASN A 19 34.047 -3.994 3.907 1.00 0.00 O ATOM 268 ND2 ASN A 19 35.304 -2.807 2.473 1.00 0.00 N ATOM 0 H ASN A 19 36.690 -7.381 1.981 1.00 0.00 H new ATOM 0 HA ASN A 19 34.074 -6.475 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.292 -5.525 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.543 -4.898 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 19 34.795 -1.945 2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 19 36.073 -2.804 1.803 1.00 0.00 H new ATOM 275 N LYS A 20 35.244 -5.662 -0.150 1.00 0.00 N ATOM 276 CA LYS A 20 34.843 -5.265 -1.494 1.00 0.00 C ATOM 277 C LYS A 20 34.105 -6.399 -2.199 1.00 0.00 C ATOM 278 O LYS A 20 33.110 -6.173 -2.888 1.00 0.00 O ATOM 279 CB LYS A 20 36.068 -4.853 -2.314 1.00 0.00 C ATOM 280 CG LYS A 20 35.775 -3.779 -3.347 1.00 0.00 C ATOM 281 CD LYS A 20 36.020 -4.283 -4.760 1.00 0.00 C ATOM 282 CE LYS A 20 35.003 -3.715 -5.738 1.00 0.00 C ATOM 283 NZ LYS A 20 35.432 -2.395 -6.279 1.00 0.00 N ATOM 0 H LYS A 20 36.252 -5.755 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 20 34.168 -4.414 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.843 -4.493 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.469 -5.732 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.739 -3.453 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.403 -2.908 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 20 37.025 -4.006 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 20 35.970 -5.372 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 20 34.859 -4.416 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 20 34.040 -3.608 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 34.713 -2.041 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 35.545 -1.719 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 36.339 -2.502 -6.777 1.00 0.00 H new ATOM 297 N LYS A 21 34.597 -7.620 -2.020 1.00 0.00 N ATOM 298 CA LYS A 21 33.984 -8.791 -2.635 1.00 0.00 C ATOM 299 C LYS A 21 32.544 -8.963 -2.162 1.00 0.00 C ATOM 300 O LYS A 21 31.646 -9.236 -2.959 1.00 0.00 O ATOM 301 CB LYS A 21 34.793 -10.048 -2.309 1.00 0.00 C ATOM 302 CG LYS A 21 36.065 -10.183 -3.129 1.00 0.00 C ATOM 303 CD LYS A 21 37.250 -9.539 -2.429 1.00 0.00 C ATOM 304 CE LYS A 21 38.244 -8.969 -3.429 1.00 0.00 C ATOM 305 NZ LYS A 21 39.618 -9.499 -3.210 1.00 0.00 N ATOM 0 H LYS A 21 35.420 -7.824 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 21 33.978 -8.641 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.053 -10.038 -1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.168 -10.925 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.275 -11.238 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 21 35.921 -9.719 -4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.898 -8.745 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 21 37.748 -10.277 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 21 37.919 -9.210 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 21 38.257 -7.882 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 40.265 -9.086 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 39.939 -9.248 -2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 39.611 -10.534 -3.312 1.00 0.00 H new ATOM 319 N CYS A 22 32.331 -8.801 -0.860 1.00 0.00 N ATOM 320 CA CYS A 22 31.000 -8.937 -0.280 1.00 0.00 C ATOM 321 C CYS A 22 30.094 -7.793 -0.723 1.00 0.00 C ATOM 322 O CYS A 22 29.005 -8.018 -1.252 1.00 0.00 O ATOM 323 CB CYS A 22 31.088 -8.971 1.247 1.00 0.00 C ATOM 324 SG CYS A 22 29.491 -8.726 2.089 1.00 0.00 S ATOM 0 H CYS A 22 33.063 -8.575 -0.187 1.00 0.00 H new ATOM 0 HA CYS A 22 30.571 -9.874 -0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 22 31.506 -9.929 1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 22 31.783 -8.199 1.578 1.00 0.00 H new ATOM 329 N ASP A 23 30.550 -6.565 -0.503 1.00 0.00 N ATOM 330 CA ASP A 23 29.782 -5.384 -0.881 1.00 0.00 C ATOM 331 C ASP A 23 29.386 -5.442 -2.353 1.00 0.00 C ATOM 332 O ASP A 23 28.209 -5.326 -2.695 1.00 0.00 O ATOM 333 CB ASP A 23 30.590 -4.115 -0.606 1.00 0.00 C ATOM 334 CG ASP A 23 29.721 -2.872 -0.573 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.485 -3.015 -0.467 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.278 -1.758 -0.651 1.00 0.00 O ATOM 0 H ASP A 23 31.448 -6.361 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 23 28.873 -5.363 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.109 -4.217 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.354 -4.000 -1.375 1.00 0.00 H new ATOM 341 N LYS A 24 30.376 -5.620 -3.220 1.00 0.00 N ATOM 342 CA LYS A 24 30.133 -5.693 -4.656 1.00 0.00 C ATOM 343 C LYS A 24 29.116 -6.783 -4.981 1.00 0.00 C ATOM 344 O LYS A 24 28.166 -6.557 -5.731 1.00 0.00 O ATOM 345 CB LYS A 24 31.441 -5.963 -5.403 1.00 0.00 C ATOM 346 CG LYS A 24 31.239 -6.418 -6.838 1.00 0.00 C ATOM 347 CD LYS A 24 32.566 -6.622 -7.550 1.00 0.00 C ATOM 348 CE LYS A 24 32.473 -7.720 -8.599 1.00 0.00 C ATOM 349 NZ LYS A 24 32.616 -9.075 -7.998 1.00 0.00 N ATOM 0 H LYS A 24 31.356 -5.717 -2.953 1.00 0.00 H new ATOM 0 HA LYS A 24 29.728 -4.734 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.045 -5.056 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.006 -6.724 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.672 -7.349 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.647 -5.678 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.873 -5.690 -8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.335 -6.878 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.515 -7.650 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.249 -7.572 -9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.547 -9.795 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.541 -9.151 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.860 -9.227 -7.300 1.00 0.00 H new ATOM 363 N LYS A 25 29.320 -7.965 -4.410 1.00 0.00 N ATOM 364 CA LYS A 25 28.420 -9.090 -4.635 1.00 0.00 C ATOM 365 C LYS A 25 26.999 -8.745 -4.202 1.00 0.00 C ATOM 366 O LYS A 25 26.032 -9.070 -4.893 1.00 0.00 O ATOM 367 CB LYS A 25 28.911 -10.324 -3.874 1.00 0.00 C ATOM 368 CG LYS A 25 28.342 -11.630 -4.400 1.00 0.00 C ATOM 369 CD LYS A 25 26.875 -11.786 -4.037 1.00 0.00 C ATOM 370 CE LYS A 25 26.633 -11.500 -2.563 1.00 0.00 C ATOM 371 NZ LYS A 25 25.323 -12.037 -2.101 1.00 0.00 N ATOM 0 H LYS A 25 30.102 -8.169 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 25 28.413 -9.309 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 25 29.999 -10.364 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 25 28.647 -10.220 -2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.455 -11.667 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.910 -12.466 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.275 -11.108 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 25 26.547 -12.799 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.435 -11.941 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 25 26.665 -10.424 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.721 -11.253 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.854 -12.532 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.478 -12.701 -1.316 1.00 0.00 H new ATOM 385 N CYS A 26 26.878 -8.085 -3.056 1.00 0.00 N ATOM 386 CA CYS A 26 25.575 -7.694 -2.531 1.00 0.00 C ATOM 387 C CYS A 26 24.796 -6.879 -3.559 1.00 0.00 C ATOM 388 O CYS A 26 23.625 -7.153 -3.824 1.00 0.00 O ATOM 389 CB CYS A 26 25.743 -6.885 -1.243 1.00 0.00 C ATOM 390 SG CYS A 26 26.319 -7.865 0.181 1.00 0.00 S ATOM 0 H CYS A 26 27.667 -7.809 -2.472 1.00 0.00 H new ATOM 0 HA CYS A 26 25.012 -8.601 -2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.451 -6.076 -1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.789 -6.422 -0.990 1.00 0.00 H new ATOM 395 N ILE A 27 25.455 -5.879 -4.134 1.00 0.00 N ATOM 396 CA ILE A 27 24.825 -5.025 -5.134 1.00 0.00 C ATOM 397 C ILE A 27 24.808 -5.700 -6.501 1.00 0.00 C ATOM 398 O ILE A 27 24.065 -5.295 -7.394 1.00 0.00 O ATOM 399 CB ILE A 27 25.546 -3.670 -5.252 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.796 -3.077 -3.864 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.732 -2.709 -6.105 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.259 -2.829 -3.567 1.00 0.00 C ATOM 0 H ILE A 27 26.424 -5.640 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 27 23.801 -4.854 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 27 26.509 -3.830 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.251 -2.137 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.390 -3.752 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.255 -1.756 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.601 -3.129 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.756 -2.553 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.361 -2.408 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.806 -3.770 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.665 -2.130 -4.298 1.00 0.00 H new ATOM 414 N GLU A 28 25.630 -6.733 -6.655 1.00 0.00 N ATOM 415 CA GLU A 28 25.708 -7.465 -7.914 1.00 0.00 C ATOM 416 C GLU A 28 24.579 -8.485 -8.021 1.00 0.00 C ATOM 417 O GLU A 28 23.917 -8.588 -9.054 1.00 0.00 O ATOM 418 CB GLU A 28 27.061 -8.171 -8.036 1.00 0.00 C ATOM 419 CG GLU A 28 28.177 -7.266 -8.530 1.00 0.00 C ATOM 420 CD GLU A 28 28.610 -7.594 -9.946 1.00 0.00 C ATOM 421 OE1 GLU A 28 29.300 -8.618 -10.133 1.00 0.00 O ATOM 422 OE2 GLU A 28 28.259 -6.827 -10.866 1.00 0.00 O ATOM 0 H GLU A 28 26.251 -7.082 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 28 25.605 -6.748 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.338 -8.578 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.961 -9.015 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.845 -6.229 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.034 -7.354 -7.862 1.00 0.00 H new ATOM 429 N TRP A 29 24.365 -9.237 -6.947 1.00 0.00 N ATOM 430 CA TRP A 29 23.316 -10.250 -6.920 1.00 0.00 C ATOM 431 C TRP A 29 22.119 -9.773 -6.105 1.00 0.00 C ATOM 432 O TRP A 29 20.983 -9.811 -6.576 1.00 0.00 O ATOM 433 CB TRP A 29 23.856 -11.558 -6.338 1.00 0.00 C ATOM 434 CG TRP A 29 24.472 -12.456 -7.368 1.00 0.00 C ATOM 435 CD1 TRP A 29 25.423 -12.118 -8.288 1.00 0.00 C ATOM 436 CD2 TRP A 29 24.178 -13.841 -7.582 1.00 0.00 C ATOM 437 NE1 TRP A 29 25.737 -13.209 -9.061 1.00 0.00 N ATOM 438 CE2 TRP A 29 24.988 -14.279 -8.648 1.00 0.00 C ATOM 439 CE3 TRP A 29 23.310 -14.754 -6.977 1.00 0.00 C ATOM 440 CZ2 TRP A 29 24.954 -15.588 -9.120 1.00 0.00 C ATOM 441 CZ3 TRP A 29 23.278 -16.054 -7.446 1.00 0.00 C ATOM 442 CH2 TRP A 29 24.096 -16.461 -8.509 1.00 0.00 C ATOM 0 H TRP A 29 24.904 -9.164 -6.084 1.00 0.00 H new ATOM 0 HA TRP A 29 22.988 -10.424 -7.945 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.600 -11.328 -5.575 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.044 -12.089 -5.842 1.00 0.00 H new ATOM 0 HD1 TRP A 29 25.863 -11.137 -8.392 1.00 0.00 H new ATOM 0 HE1 TRP A 29 26.418 -13.221 -9.820 1.00 0.00 H new ATOM 0 HE3 TRP A 29 22.676 -14.449 -6.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 25.583 -15.903 -9.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 22.611 -16.768 -6.986 1.00 0.00 H new ATOM 0 HH2 TRP A 29 24.048 -17.484 -8.852 1.00 0.00 H new ATOM 453 N GLU A 30 22.383 -9.324 -4.882 1.00 0.00 N ATOM 454 CA GLU A 30 21.325 -8.839 -4.003 1.00 0.00 C ATOM 455 C GLU A 30 20.972 -7.389 -4.323 1.00 0.00 C ATOM 456 O GLU A 30 20.085 -6.802 -3.704 1.00 0.00 O ATOM 457 CB GLU A 30 21.753 -8.960 -2.539 1.00 0.00 C ATOM 458 CG GLU A 30 21.627 -10.368 -1.982 1.00 0.00 C ATOM 459 CD GLU A 30 22.554 -10.616 -0.808 1.00 0.00 C ATOM 460 OE1 GLU A 30 23.140 -9.639 -0.297 1.00 0.00 O ATOM 461 OE2 GLU A 30 22.693 -11.788 -0.400 1.00 0.00 O ATOM 0 H GLU A 30 23.319 -9.286 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 30 20.441 -9.454 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.788 -8.632 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.148 -8.284 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.597 -10.540 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 30 21.845 -11.088 -2.771 1.00 0.00 H new ATOM 468 N LYS A 31 21.674 -6.817 -5.296 1.00 0.00 N ATOM 469 CA LYS A 31 21.437 -5.437 -5.701 1.00 0.00 C ATOM 470 C LYS A 31 21.252 -4.537 -4.483 1.00 0.00 C ATOM 471 O LYS A 31 20.449 -3.605 -4.505 1.00 0.00 O ATOM 472 CB LYS A 31 20.203 -5.353 -6.602 1.00 0.00 C ATOM 473 CG LYS A 31 20.197 -6.380 -7.721 1.00 0.00 C ATOM 474 CD LYS A 31 21.491 -6.347 -8.516 1.00 0.00 C ATOM 475 CE LYS A 31 21.751 -4.967 -9.101 1.00 0.00 C ATOM 476 NZ LYS A 31 22.659 -5.026 -10.280 1.00 0.00 N ATOM 0 H LYS A 31 22.412 -7.289 -5.819 1.00 0.00 H new ATOM 0 HA LYS A 31 22.309 -5.093 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.309 -5.486 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.147 -4.355 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.052 -7.376 -7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.355 -6.189 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.322 -6.633 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.444 -7.081 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.805 -4.513 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.190 -4.325 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.811 -4.066 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.571 -5.436 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.229 -5.617 -11.020 1.00 0.00 H new ATOM 490 N ALA A 32 22.001 -4.821 -3.423 1.00 0.00 N ATOM 491 CA ALA A 32 21.922 -4.035 -2.199 1.00 0.00 C ATOM 492 C ALA A 32 22.659 -2.708 -2.349 1.00 0.00 C ATOM 493 O ALA A 32 23.022 -2.313 -3.456 1.00 0.00 O ATOM 494 CB ALA A 32 22.487 -4.824 -1.027 1.00 0.00 C ATOM 0 H ALA A 32 22.670 -5.590 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 32 20.872 -3.818 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.421 -4.224 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.915 -5.743 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.530 -5.071 -1.224 1.00 0.00 H new ATOM 500 N GLN A 33 22.874 -2.026 -1.229 1.00 0.00 N ATOM 501 CA GLN A 33 23.566 -0.742 -1.238 1.00 0.00 C ATOM 502 C GLN A 33 24.933 -0.856 -0.572 1.00 0.00 C ATOM 503 O GLN A 33 25.938 -0.388 -1.109 1.00 0.00 O ATOM 504 CB GLN A 33 22.726 0.319 -0.527 1.00 0.00 C ATOM 505 CG GLN A 33 21.428 0.650 -1.245 1.00 0.00 C ATOM 506 CD GLN A 33 21.636 1.565 -2.436 1.00 0.00 C ATOM 507 OE1 GLN A 33 22.676 2.212 -2.561 1.00 0.00 O ATOM 508 NE2 GLN A 33 20.646 1.624 -3.318 1.00 0.00 N ATOM 0 H GLN A 33 22.579 -2.340 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 33 23.712 -0.444 -2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.496 -0.027 0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.317 1.229 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.957 -0.274 -1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.740 1.123 -0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 33 19.801 1.070 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 33 20.730 2.223 -4.139 1.00 0.00 H new ATOM 517 N HIS A 34 24.965 -1.481 0.601 1.00 0.00 N ATOM 518 CA HIS A 34 26.209 -1.657 1.340 1.00 0.00 C ATOM 519 C HIS A 34 26.325 -3.080 1.878 1.00 0.00 C ATOM 520 O HIS A 34 25.320 -3.747 2.118 1.00 0.00 O ATOM 521 CB HIS A 34 26.288 -0.655 2.493 1.00 0.00 C ATOM 522 CG HIS A 34 26.002 0.756 2.081 1.00 0.00 C ATOM 523 ND1 HIS A 34 26.982 1.720 1.967 1.00 0.00 N ATOM 524 CD2 HIS A 34 24.838 1.364 1.754 1.00 0.00 C ATOM 525 CE1 HIS A 34 26.433 2.860 1.589 1.00 0.00 C ATOM 526 NE2 HIS A 34 25.133 2.671 1.452 1.00 0.00 N ATOM 0 H HIS A 34 24.143 -1.874 1.060 1.00 0.00 H new ATOM 0 HA HIS A 34 27.038 -1.478 0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.580 -0.949 3.268 1.00 0.00 H new ATOM 0 HB3 HIS A 34 27.283 -0.701 2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 34 23.860 0.907 1.734 1.00 0.00 H new ATOM 0 HE1 HIS A 34 26.958 3.789 1.421 1.00 0.00 H new ATOM 0 HE2 HIS A 34 24.458 3.381 1.168 1.00 0.00 H new ATOM 534 N GLY A 35 27.560 -3.538 2.065 1.00 0.00 N ATOM 535 CA GLY A 35 27.784 -4.879 2.572 1.00 0.00 C ATOM 536 C GLY A 35 28.779 -4.908 3.715 1.00 0.00 C ATOM 537 O GLY A 35 29.421 -3.901 4.014 1.00 0.00 O ATOM 0 H GLY A 35 28.408 -3.004 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.836 -5.300 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 35 28.146 -5.514 1.763 1.00 0.00 H new ATOM 541 N ALA A 36 28.906 -6.064 4.358 1.00 0.00 N ATOM 542 CA ALA A 36 29.829 -6.220 5.475 1.00 0.00 C ATOM 543 C ALA A 36 30.218 -7.682 5.666 1.00 0.00 C ATOM 544 O ALA A 36 29.555 -8.584 5.152 1.00 0.00 O ATOM 545 CB ALA A 36 29.213 -5.664 6.750 1.00 0.00 C ATOM 0 H ALA A 36 28.381 -6.907 4.124 1.00 0.00 H new ATOM 0 HA ALA A 36 30.735 -5.658 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 36 29.913 -5.787 7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 36 28.993 -4.605 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.291 -6.201 6.973 1.00 0.00 H new ATOM 551 N CYS A 37 31.297 -7.910 6.407 1.00 0.00 N ATOM 552 CA CYS A 37 31.776 -9.263 6.665 1.00 0.00 C ATOM 553 C CYS A 37 32.074 -9.460 8.149 1.00 0.00 C ATOM 554 O CYS A 37 32.609 -8.570 8.810 1.00 0.00 O ATOM 555 CB CYS A 37 33.032 -9.548 5.839 1.00 0.00 C ATOM 556 SG CYS A 37 33.121 -11.246 5.184 1.00 0.00 S ATOM 0 H CYS A 37 31.857 -7.175 6.840 1.00 0.00 H new ATOM 0 HA CYS A 37 30.992 -9.962 6.374 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.073 -8.846 5.006 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.910 -9.362 6.457 1.00 0.00 H new ATOM 561 N HIS A 38 31.723 -10.634 8.666 1.00 0.00 N ATOM 562 CA HIS A 38 31.954 -10.949 10.071 1.00 0.00 C ATOM 563 C HIS A 38 32.240 -12.437 10.254 1.00 0.00 C ATOM 564 O HIS A 38 31.509 -13.288 9.748 1.00 0.00 O ATOM 565 CB HIS A 38 30.743 -10.544 10.912 1.00 0.00 C ATOM 566 CG HIS A 38 31.091 -9.689 12.091 1.00 0.00 C ATOM 567 ND1 HIS A 38 31.893 -8.571 12.000 1.00 0.00 N ATOM 568 CD2 HIS A 38 30.741 -9.793 13.394 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.021 -8.025 13.196 1.00 0.00 C ATOM 570 NE2 HIS A 38 31.332 -8.748 14.060 1.00 0.00 N ATOM 0 H HIS A 38 31.278 -11.382 8.133 1.00 0.00 H new ATOM 0 HA HIS A 38 32.825 -10.385 10.406 1.00 0.00 H new ATOM 0 HB2 HIS A 38 30.036 -10.007 10.280 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.237 -11.444 11.263 1.00 0.00 H new ATOM 0 HD1 HIS A 38 32.321 -8.220 11.143 1.00 0.00 H new ATOM 0 HD2 HIS A 38 30.113 -10.556 13.829 1.00 0.00 H new ATOM 0 HE1 HIS A 38 32.592 -7.138 13.428 1.00 0.00 H new ATOM 578 N LYS A 39 33.310 -12.743 10.980 1.00 0.00 N ATOM 579 CA LYS A 39 33.694 -14.127 11.231 1.00 0.00 C ATOM 580 C LYS A 39 33.257 -14.569 12.624 1.00 0.00 C ATOM 581 O LYS A 39 33.521 -13.886 13.613 1.00 0.00 O ATOM 582 CB LYS A 39 35.208 -14.293 11.083 1.00 0.00 C ATOM 583 CG LYS A 39 35.685 -15.722 11.272 1.00 0.00 C ATOM 584 CD LYS A 39 36.493 -15.876 12.550 1.00 0.00 C ATOM 585 CE LYS A 39 37.355 -17.129 12.517 1.00 0.00 C ATOM 586 NZ LYS A 39 37.780 -17.546 13.882 1.00 0.00 N ATOM 0 H LYS A 39 33.927 -12.051 11.405 1.00 0.00 H new ATOM 0 HA LYS A 39 33.192 -14.756 10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.508 -13.947 10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.708 -13.653 11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.826 -16.392 11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.293 -16.019 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 39 37.127 -15.000 12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 39 35.819 -15.920 13.405 1.00 0.00 H new ATOM 0 HE2 LYS A 39 36.799 -17.940 12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 39 38.236 -16.947 11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 38.365 -18.403 13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 38.332 -16.782 14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 36.940 -17.744 14.462 1.00 0.00 H new ATOM 600 N ARG A 40 32.589 -15.716 12.693 1.00 0.00 N ATOM 601 CA ARG A 40 32.116 -16.249 13.965 1.00 0.00 C ATOM 602 C ARG A 40 31.384 -17.572 13.761 1.00 0.00 C ATOM 603 O ARG A 40 31.171 -18.007 12.630 1.00 0.00 O ATOM 604 CB ARG A 40 31.191 -15.242 14.651 1.00 0.00 C ATOM 605 CG ARG A 40 31.723 -14.734 15.981 1.00 0.00 C ATOM 606 CD ARG A 40 31.202 -15.564 17.144 1.00 0.00 C ATOM 607 NE ARG A 40 31.456 -14.922 18.431 1.00 0.00 N ATOM 608 CZ ARG A 40 31.257 -15.519 19.601 1.00 0.00 C ATOM 609 NH1 ARG A 40 30.805 -16.765 19.646 1.00 0.00 N ATOM 610 NH2 ARG A 40 31.511 -14.869 20.730 1.00 0.00 N ATOM 0 H ARG A 40 32.363 -16.294 11.883 1.00 0.00 H new ATOM 0 HA ARG A 40 32.983 -16.428 14.601 1.00 0.00 H new ATOM 0 HB2 ARG A 40 31.033 -14.394 13.985 1.00 0.00 H new ATOM 0 HB3 ARG A 40 30.218 -15.706 14.812 1.00 0.00 H new ATOM 0 HG2 ARG A 40 32.813 -14.762 15.972 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.431 -13.693 16.117 1.00 0.00 H new ATOM 0 HD2 ARG A 40 30.131 -15.724 17.024 1.00 0.00 H new ATOM 0 HD3 ARG A 40 31.675 -16.546 17.129 1.00 0.00 H new ATOM 0 HE ARG A 40 31.805 -13.964 18.432 1.00 0.00 H new ATOM 0 HH11 ARG A 40 30.609 -17.268 18.781 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.653 -17.220 20.546 1.00 0.00 H new ATOM 0 HH21 ARG A 40 31.859 -13.911 20.700 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.358 -15.328 21.628 1.00 0.00 H new ATOM 624 N GLU A 41 31.002 -18.207 14.865 1.00 0.00 N ATOM 625 CA GLU A 41 30.295 -19.481 14.807 1.00 0.00 C ATOM 626 C GLU A 41 31.099 -20.514 14.023 1.00 0.00 C ATOM 627 O GLU A 41 31.017 -20.580 12.797 1.00 0.00 O ATOM 628 CB GLU A 41 28.918 -19.297 14.166 1.00 0.00 C ATOM 629 CG GLU A 41 27.877 -18.724 15.113 1.00 0.00 C ATOM 630 CD GLU A 41 27.153 -17.527 14.528 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.785 -17.580 13.336 1.00 0.00 O ATOM 632 OE2 GLU A 41 26.954 -16.536 15.263 1.00 0.00 O ATOM 0 H GLU A 41 31.170 -17.860 15.809 1.00 0.00 H new ATOM 0 HA GLU A 41 30.167 -19.843 15.827 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.014 -18.638 13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.568 -20.260 13.795 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.151 -19.498 15.360 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.361 -18.432 16.045 1.00 0.00 H new ATOM 639 N ALA A 42 31.877 -21.318 14.740 1.00 0.00 N ATOM 640 CA ALA A 42 32.695 -22.349 14.113 1.00 0.00 C ATOM 641 C ALA A 42 33.628 -21.748 13.066 1.00 0.00 C ATOM 642 O ALA A 42 34.064 -22.433 12.142 1.00 0.00 O ATOM 643 CB ALA A 42 31.810 -23.415 13.483 1.00 0.00 C ATOM 0 H ALA A 42 31.958 -21.275 15.756 1.00 0.00 H new ATOM 0 HA ALA A 42 33.308 -22.812 14.886 1.00 0.00 H new ATOM 0 HB1 ALA A 42 32.434 -24.178 13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 42 31.189 -23.873 14.252 1.00 0.00 H new ATOM 0 HB3 ALA A 42 31.172 -22.958 12.726 1.00 0.00 H new ATOM 649 N GLY A 43 33.930 -20.462 13.218 1.00 0.00 N ATOM 650 CA GLY A 43 34.809 -19.791 12.279 1.00 0.00 C ATOM 651 C GLY A 43 34.150 -19.558 10.933 1.00 0.00 C ATOM 652 O GLY A 43 34.822 -19.527 9.902 1.00 0.00 O ATOM 0 H GLY A 43 33.581 -19.873 13.975 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.121 -18.834 12.698 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.711 -20.387 12.140 1.00 0.00 H new ATOM 656 N LYS A 44 32.832 -19.396 10.942 1.00 0.00 N ATOM 657 CA LYS A 44 32.081 -19.166 9.713 1.00 0.00 C ATOM 658 C LYS A 44 31.893 -17.673 9.462 1.00 0.00 C ATOM 659 O LYS A 44 31.339 -16.960 10.297 1.00 0.00 O ATOM 660 CB LYS A 44 30.717 -19.857 9.788 1.00 0.00 C ATOM 661 CG LYS A 44 30.808 -21.366 9.937 1.00 0.00 C ATOM 662 CD LYS A 44 29.440 -21.986 10.174 1.00 0.00 C ATOM 663 CE LYS A 44 29.437 -22.874 11.409 1.00 0.00 C ATOM 664 NZ LYS A 44 28.195 -23.690 11.502 1.00 0.00 N ATOM 0 H LYS A 44 32.261 -19.420 11.787 1.00 0.00 H new ATOM 0 HA LYS A 44 32.650 -19.587 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.159 -19.450 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.150 -19.623 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 44 31.253 -21.795 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.469 -21.611 10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 44 28.697 -21.197 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.149 -22.572 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.304 -23.534 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.533 -22.255 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.231 -24.281 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 27.369 -23.060 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 28.116 -24.299 10.663 1.00 0.00 H new ATOM 678 N GLU A 45 32.356 -17.209 8.306 1.00 0.00 N ATOM 679 CA GLU A 45 32.238 -15.801 7.946 1.00 0.00 C ATOM 680 C GLU A 45 30.921 -15.534 7.222 1.00 0.00 C ATOM 681 O GLU A 45 30.586 -16.212 6.251 1.00 0.00 O ATOM 682 CB GLU A 45 33.413 -15.377 7.063 1.00 0.00 C ATOM 683 CG GLU A 45 34.641 -14.949 7.849 1.00 0.00 C ATOM 684 CD GLU A 45 35.937 -15.282 7.134 1.00 0.00 C ATOM 685 OE1 GLU A 45 36.038 -16.397 6.581 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.848 -14.429 7.129 1.00 0.00 O ATOM 0 H GLU A 45 32.816 -17.787 7.603 1.00 0.00 H new ATOM 0 HA GLU A 45 32.254 -15.215 8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.682 -16.206 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 45 33.097 -14.554 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.596 -13.875 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.632 -15.437 8.824 1.00 0.00 H new ATOM 693 N SER A 46 30.180 -14.541 7.702 1.00 0.00 N ATOM 694 CA SER A 46 28.898 -14.186 7.104 1.00 0.00 C ATOM 695 C SER A 46 28.949 -12.785 6.502 1.00 0.00 C ATOM 696 O SER A 46 29.705 -11.927 6.959 1.00 0.00 O ATOM 697 CB SER A 46 27.784 -14.264 8.151 1.00 0.00 C ATOM 698 OG SER A 46 26.507 -14.242 7.538 1.00 0.00 O ATOM 0 H SER A 46 30.445 -13.968 8.503 1.00 0.00 H new ATOM 0 HA SER A 46 28.687 -14.898 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.894 -15.177 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 46 27.873 -13.428 8.844 1.00 0.00 H new ATOM 0 HG SER A 46 25.841 -14.606 8.157 1.00 0.00 H new ATOM 704 N CYS A 47 28.138 -12.561 5.473 1.00 0.00 N ATOM 705 CA CYS A 47 28.089 -11.265 4.806 1.00 0.00 C ATOM 706 C CYS A 47 26.754 -10.572 5.062 1.00 0.00 C ATOM 707 O CYS A 47 25.690 -11.131 4.795 1.00 0.00 O ATOM 708 CB CYS A 47 28.308 -11.435 3.302 1.00 0.00 C ATOM 709 SG CYS A 47 28.125 -9.895 2.346 1.00 0.00 S ATOM 0 H CYS A 47 27.506 -13.260 5.083 1.00 0.00 H new ATOM 0 HA CYS A 47 28.885 -10.643 5.215 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.307 -11.838 3.134 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.599 -12.172 2.923 1.00 0.00 H new ATOM 714 N PHE A 48 26.818 -9.350 5.581 1.00 0.00 N ATOM 715 CA PHE A 48 25.615 -8.580 5.874 1.00 0.00 C ATOM 716 C PHE A 48 25.464 -7.416 4.900 1.00 0.00 C ATOM 717 O PHE A 48 26.377 -6.606 4.734 1.00 0.00 O ATOM 718 CB PHE A 48 25.658 -8.055 7.311 1.00 0.00 C ATOM 719 CG PHE A 48 24.784 -8.827 8.258 1.00 0.00 C ATOM 720 CD1 PHE A 48 23.445 -9.036 7.971 1.00 0.00 C ATOM 721 CD2 PHE A 48 25.303 -9.343 9.434 1.00 0.00 C ATOM 722 CE1 PHE A 48 22.638 -9.746 8.840 1.00 0.00 C ATOM 723 CE2 PHE A 48 24.501 -10.055 10.307 1.00 0.00 C ATOM 724 CZ PHE A 48 23.167 -10.256 10.010 1.00 0.00 C ATOM 0 H PHE A 48 27.690 -8.872 5.807 1.00 0.00 H new ATOM 0 HA PHE A 48 24.755 -9.240 5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 48 26.687 -8.087 7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 48 25.351 -7.009 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 48 23.027 -8.640 7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.345 -9.188 9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.596 -9.902 8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 48 24.917 -10.454 11.220 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.539 -10.811 10.691 1.00 0.00 H new ATOM 734 N CYS A 49 24.304 -7.338 4.255 1.00 0.00 N ATOM 735 CA CYS A 49 24.031 -6.275 3.296 1.00 0.00 C ATOM 736 C CYS A 49 22.708 -5.584 3.611 1.00 0.00 C ATOM 737 O CYS A 49 21.777 -6.207 4.123 1.00 0.00 O ATOM 738 CB CYS A 49 23.999 -6.839 1.874 1.00 0.00 C ATOM 739 SG CYS A 49 25.136 -8.236 1.602 1.00 0.00 S ATOM 0 H CYS A 49 23.538 -8.000 4.380 1.00 0.00 H new ATOM 0 HA CYS A 49 24.831 -5.539 3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.983 -7.161 1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.246 -6.042 1.173 1.00 0.00 H new ATOM 744 N TYR A 50 22.632 -4.294 3.303 1.00 0.00 N ATOM 745 CA TYR A 50 21.424 -3.518 3.556 1.00 0.00 C ATOM 746 C TYR A 50 21.146 -2.554 2.406 1.00 0.00 C ATOM 747 O TYR A 50 22.059 -1.916 1.881 1.00 0.00 O ATOM 748 CB TYR A 50 21.557 -2.741 4.867 1.00 0.00 C ATOM 749 CG TYR A 50 22.015 -1.312 4.681 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.101 -0.294 4.440 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.363 -0.981 4.747 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.516 1.012 4.268 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.787 0.323 4.578 1.00 0.00 C ATOM 754 CZ TYR A 50 22.860 1.316 4.338 1.00 0.00 C ATOM 755 OH TYR A 50 23.277 2.616 4.169 1.00 0.00 O ATOM 0 H TYR A 50 23.393 -3.764 2.878 1.00 0.00 H new ATOM 0 HA TYR A 50 20.587 -4.211 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 50 20.595 -2.741 5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 50 22.263 -3.258 5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.048 -0.528 4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.091 -1.756 4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 50 20.792 1.791 4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 50 24.838 0.564 4.633 1.00 0.00 H new ATOM 0 HH TYR A 50 24.253 2.660 4.249 1.00 0.00 H new ATOM 765 N PHE A 51 19.879 -2.453 2.021 1.00 0.00 N ATOM 766 CA PHE A 51 19.478 -1.567 0.934 1.00 0.00 C ATOM 767 C PHE A 51 18.049 -1.071 1.134 1.00 0.00 C ATOM 768 O PHE A 51 17.245 -1.718 1.806 1.00 0.00 O ATOM 769 CB PHE A 51 19.596 -2.289 -0.410 1.00 0.00 C ATOM 770 CG PHE A 51 18.811 -3.569 -0.474 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.302 -4.727 0.107 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.584 -3.613 -1.114 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.582 -5.906 0.051 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.860 -4.789 -1.174 1.00 0.00 C ATOM 775 CZ PHE A 51 17.360 -5.937 -0.591 1.00 0.00 C ATOM 0 H PHE A 51 19.111 -2.974 2.445 1.00 0.00 H new ATOM 0 HA PHE A 51 20.146 -0.705 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 51 19.255 -1.623 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.646 -2.506 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.258 -4.708 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.188 -2.718 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.975 -6.802 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.904 -4.810 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.796 -6.857 -0.637 1.00 0.00 H new ATOM 785 N ASP A 52 17.741 0.080 0.547 1.00 0.00 N ATOM 786 CA ASP A 52 16.410 0.663 0.660 1.00 0.00 C ATOM 787 C ASP A 52 15.388 -0.158 -0.120 1.00 0.00 C ATOM 788 O ASP A 52 15.606 -0.496 -1.284 1.00 0.00 O ATOM 789 CB ASP A 52 16.417 2.106 0.153 1.00 0.00 C ATOM 790 CG ASP A 52 17.142 2.251 -1.170 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.391 2.280 -1.163 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.461 2.334 -2.213 1.00 0.00 O ATOM 0 H ASP A 52 18.395 0.628 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 52 16.127 0.657 1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.390 2.454 0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.891 2.747 0.896 1.00 0.00 H new ATOM 797 N CYS A 53 14.273 -0.477 0.528 1.00 0.00 N ATOM 798 CA CYS A 53 13.218 -1.261 -0.104 1.00 0.00 C ATOM 799 C CYS A 53 11.961 -0.419 -0.303 1.00 0.00 C ATOM 800 O CYS A 53 11.694 0.508 0.461 1.00 0.00 O ATOM 801 CB CYS A 53 12.891 -2.492 0.744 1.00 0.00 C ATOM 802 SG CYS A 53 13.476 -4.062 0.030 1.00 0.00 S ATOM 0 H CYS A 53 14.076 -0.205 1.491 1.00 0.00 H new ATOM 0 HA CYS A 53 13.576 -1.586 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.333 -2.367 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.811 -2.548 0.883 1.00 0.00 H new ATOM 807 N SER A 54 11.193 -0.748 -1.337 1.00 0.00 N ATOM 808 CA SER A 54 9.966 -0.021 -1.640 1.00 0.00 C ATOM 809 C SER A 54 10.277 1.396 -2.111 1.00 0.00 C ATOM 810 O SER A 54 10.187 1.702 -3.300 1.00 0.00 O ATOM 811 CB SER A 54 9.059 0.026 -0.409 1.00 0.00 C ATOM 812 OG SER A 54 7.884 -0.741 -0.611 1.00 0.00 O ATOM 0 H SER A 54 11.399 -1.513 -1.979 1.00 0.00 H new ATOM 0 HA SER A 54 9.450 -0.547 -2.443 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.599 -0.352 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.789 1.059 -0.191 1.00 0.00 H new ATOM 0 HG SER A 54 7.401 -0.829 0.237 1.00 0.00 H new ATOM 818 N LYS A 55 10.644 2.259 -1.169 1.00 0.00 N ATOM 819 CA LYS A 55 10.970 3.644 -1.485 1.00 0.00 C ATOM 820 C LYS A 55 11.607 4.340 -0.286 1.00 0.00 C ATOM 821 O LYS A 55 11.436 5.544 -0.092 1.00 0.00 O ATOM 822 CB LYS A 55 9.712 4.400 -1.918 1.00 0.00 C ATOM 823 CG LYS A 55 9.842 5.072 -3.274 1.00 0.00 C ATOM 824 CD LYS A 55 8.881 4.474 -4.287 1.00 0.00 C ATOM 825 CE LYS A 55 7.433 4.692 -3.878 1.00 0.00 C ATOM 826 NZ LYS A 55 7.152 6.122 -3.572 1.00 0.00 N ATOM 0 H LYS A 55 10.723 2.023 -0.180 1.00 0.00 H new ATOM 0 HA LYS A 55 11.687 3.644 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.872 3.705 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.476 5.156 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.647 6.140 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.865 4.968 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.055 4.923 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.075 3.406 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.775 4.356 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.207 4.082 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.184 6.358 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.246 6.283 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.829 6.725 -4.081 1.00 0.00 H new ATOM 840 N SER A 56 12.342 3.576 0.515 1.00 0.00 N ATOM 841 CA SER A 56 13.002 4.119 1.696 1.00 0.00 C ATOM 842 C SER A 56 13.953 5.250 1.315 1.00 0.00 C ATOM 843 O SER A 56 14.486 5.300 0.207 1.00 0.00 O ATOM 844 CB SER A 56 13.770 3.017 2.429 1.00 0.00 C ATOM 845 OG SER A 56 14.901 3.544 3.101 1.00 0.00 O ATOM 0 H SER A 56 12.496 2.578 0.368 1.00 0.00 H new ATOM 0 HA SER A 56 12.235 4.520 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.112 2.527 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.088 2.256 1.717 1.00 0.00 H new ATOM 0 HG SER A 56 15.374 2.820 3.563 1.00 0.00 H new ATOM 851 N PRO A 57 14.171 6.180 2.256 1.00 0.00 N ATOM 852 CA PRO A 57 15.058 7.328 2.044 1.00 0.00 C ATOM 853 C PRO A 57 16.525 6.920 1.968 1.00 0.00 C ATOM 854 O PRO A 57 16.895 5.784 2.267 1.00 0.00 O ATOM 855 CB PRO A 57 14.809 8.201 3.276 1.00 0.00 C ATOM 856 CG PRO A 57 14.339 7.253 4.324 1.00 0.00 C ATOM 857 CD PRO A 57 13.569 6.183 3.600 1.00 0.00 C ATOM 0 HA PRO A 57 14.854 7.832 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.718 8.715 3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.062 8.968 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.180 6.826 4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.709 7.760 5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.671 5.214 4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.504 6.410 3.563 1.00 0.00 H new ATOM 865 N PRO A 58 17.383 7.867 1.559 1.00 0.00 N ATOM 866 CA PRO A 58 18.824 7.629 1.435 1.00 0.00 C ATOM 867 C PRO A 58 19.503 7.462 2.791 1.00 0.00 C ATOM 868 O PRO A 58 20.188 8.365 3.268 1.00 0.00 O ATOM 869 CB PRO A 58 19.333 8.891 0.734 1.00 0.00 C ATOM 870 CG PRO A 58 18.338 9.944 1.081 1.00 0.00 C ATOM 871 CD PRO A 58 17.012 9.242 1.186 1.00 0.00 C ATOM 0 HA PRO A 58 19.040 6.708 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.331 9.160 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.397 8.746 -0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 58 18.597 10.431 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.309 10.721 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.371 9.703 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.467 9.269 0.242 1.00 0.00 H new ATOM 879 N GLY A 59 19.308 6.299 3.406 1.00 0.00 N ATOM 880 CA GLY A 59 19.908 6.035 4.700 1.00 0.00 C ATOM 881 C GLY A 59 18.896 5.557 5.722 1.00 0.00 C ATOM 882 O GLY A 59 17.956 6.277 6.059 1.00 0.00 O ATOM 0 H GLY A 59 18.745 5.536 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 59 20.689 5.283 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.389 6.942 5.066 1.00 0.00 H new ATOM 886 N ALA A 60 19.086 4.338 6.216 1.00 0.00 N ATOM 887 CA ALA A 60 18.182 3.764 7.205 1.00 0.00 C ATOM 888 C ALA A 60 18.648 2.377 7.634 1.00 0.00 C ATOM 889 O ALA A 60 19.733 1.931 7.261 1.00 0.00 O ATOM 890 CB ALA A 60 16.766 3.700 6.651 1.00 0.00 C ATOM 0 H ALA A 60 19.858 3.729 5.947 1.00 0.00 H new ATOM 0 HA ALA A 60 18.187 4.408 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.101 3.269 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.427 4.705 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.754 3.079 5.755 1.00 0.00 H new ATOM 896 N THR A 61 17.820 1.698 8.422 1.00 0.00 N ATOM 897 CA THR A 61 18.147 0.362 8.905 1.00 0.00 C ATOM 898 C THR A 61 17.125 -0.662 8.424 1.00 0.00 C ATOM 899 O THR A 61 15.996 -0.327 8.067 1.00 0.00 O ATOM 900 CB THR A 61 18.215 0.321 10.443 1.00 0.00 C ATOM 901 OG1 THR A 61 17.296 1.268 10.999 1.00 0.00 O ATOM 902 CG2 THR A 61 19.623 0.625 10.931 1.00 0.00 C ATOM 0 H THR A 61 16.917 2.052 8.739 1.00 0.00 H new ATOM 0 HA THR A 61 19.127 0.111 8.500 1.00 0.00 H new ATOM 0 HB THR A 61 17.944 -0.683 10.770 1.00 0.00 H new ATOM 0 HG1 THR A 61 17.344 1.235 11.977 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.646 0.590 12.020 1.00 0.00 H new ATOM 0 HG22 THR A 61 20.315 -0.115 10.530 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.919 1.618 10.593 1.00 0.00 H new ATOM 910 N PRO A 62 17.527 -1.942 8.416 1.00 0.00 N ATOM 911 CA PRO A 62 16.660 -3.041 7.982 1.00 0.00 C ATOM 912 C PRO A 62 15.522 -3.303 8.963 1.00 0.00 C ATOM 913 O PRO A 62 15.384 -2.606 9.968 1.00 0.00 O ATOM 914 CB PRO A 62 17.608 -4.242 7.930 1.00 0.00 C ATOM 915 CG PRO A 62 18.696 -3.907 8.892 1.00 0.00 C ATOM 916 CD PRO A 62 18.860 -2.414 8.829 1.00 0.00 C ATOM 0 HA PRO A 62 16.172 -2.824 7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.097 -5.162 8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 62 18.001 -4.393 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.438 -4.229 9.901 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.623 -4.413 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 62 19.151 -2.001 9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 62 19.629 -2.124 8.113 1.00 0.00 H new ATOM 924 N ALA A 63 14.711 -4.312 8.665 1.00 0.00 N ATOM 925 CA ALA A 63 13.587 -4.668 9.523 1.00 0.00 C ATOM 926 C ALA A 63 13.801 -6.031 10.171 1.00 0.00 C ATOM 927 O ALA A 63 13.203 -7.033 9.778 1.00 0.00 O ATOM 928 CB ALA A 63 12.291 -4.657 8.725 1.00 0.00 C ATOM 0 H ALA A 63 14.811 -4.898 7.836 1.00 0.00 H new ATOM 0 HA ALA A 63 13.518 -3.925 10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.460 -4.925 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.125 -3.661 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.359 -5.378 7.910 1.00 0.00 H new ATOM 934 N PRO A 64 14.674 -6.073 11.188 1.00 0.00 N ATOM 935 CA PRO A 64 14.987 -7.309 11.913 1.00 0.00 C ATOM 936 C PRO A 64 13.819 -7.792 12.766 1.00 0.00 C ATOM 937 O PRO A 64 12.843 -7.075 12.988 1.00 0.00 O ATOM 938 CB PRO A 64 16.169 -6.910 12.800 1.00 0.00 C ATOM 939 CG PRO A 64 16.024 -5.439 12.986 1.00 0.00 C ATOM 940 CD PRO A 64 15.423 -4.918 11.710 1.00 0.00 C ATOM 0 HA PRO A 64 15.205 -8.135 11.236 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.142 -7.434 13.755 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.120 -7.157 12.328 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.384 -5.215 13.839 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.990 -4.973 13.181 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.770 -4.065 11.893 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.191 -4.587 11.010 1.00 0.00 H new ATOM 948 N PRO A 65 13.919 -9.035 13.258 1.00 0.00 N ATOM 949 CA PRO A 65 12.880 -9.641 14.096 1.00 0.00 C ATOM 950 C PRO A 65 12.800 -8.997 15.476 1.00 0.00 C ATOM 951 O PRO A 65 13.281 -9.555 16.462 1.00 0.00 O ATOM 952 CB PRO A 65 13.326 -11.101 14.213 1.00 0.00 C ATOM 953 CG PRO A 65 14.800 -11.065 14.006 1.00 0.00 C ATOM 954 CD PRO A 65 15.055 -9.946 13.034 1.00 0.00 C ATOM 0 HA PRO A 65 11.886 -9.517 13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.073 -11.515 15.189 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.837 -11.725 13.466 1.00 0.00 H new ATOM 0 HG2 PRO A 65 15.322 -10.891 14.947 1.00 0.00 H new ATOM 0 HG3 PRO A 65 15.162 -12.014 13.612 1.00 0.00 H new ATOM 0 HD2 PRO A 65 16.009 -9.455 13.228 1.00 0.00 H new ATOM 0 HD3 PRO A 65 15.085 -10.306 12.006 1.00 0.00 H new ATOM 962 N GLY A 66 12.188 -7.818 15.539 1.00 0.00 N ATOM 963 CA GLY A 66 12.056 -7.117 16.803 1.00 0.00 C ATOM 964 C GLY A 66 12.831 -5.815 16.828 1.00 0.00 C ATOM 965 O GLY A 66 12.243 -4.734 16.802 1.00 0.00 O ATOM 0 H GLY A 66 11.781 -7.336 14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.002 -6.913 16.993 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.407 -7.760 17.610 1.00 0.00 H new ATOM 969 N ALA A 67 14.155 -5.918 16.881 1.00 0.00 N ATOM 970 CA ALA A 67 15.012 -4.739 16.910 1.00 0.00 C ATOM 971 C ALA A 67 16.483 -5.131 16.991 1.00 0.00 C ATOM 972 O ALA A 67 17.279 -4.461 17.648 1.00 0.00 O ATOM 973 CB ALA A 67 14.637 -3.842 18.081 1.00 0.00 C ATOM 0 H ALA A 67 14.657 -6.805 16.905 1.00 0.00 H new ATOM 0 HA ALA A 67 14.861 -4.188 15.982 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.285 -2.966 18.090 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.599 -3.525 17.979 1.00 0.00 H new ATOM 0 HB3 ALA A 67 14.758 -4.392 19.014 1.00 0.00 H new ATOM 979 N ALA A 68 16.838 -6.222 16.320 1.00 0.00 N ATOM 980 CA ALA A 68 18.214 -6.703 16.315 1.00 0.00 C ATOM 981 C ALA A 68 18.831 -6.588 14.926 1.00 0.00 C ATOM 982 O ALA A 68 19.020 -7.579 14.220 1.00 0.00 O ATOM 983 CB ALA A 68 18.271 -8.143 16.803 1.00 0.00 C ATOM 0 H ALA A 68 16.191 -6.790 15.773 1.00 0.00 H new ATOM 0 HA ALA A 68 18.794 -6.078 16.994 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.304 -8.490 16.794 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.878 -8.199 17.818 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.671 -8.774 16.147 1.00 0.00 H new ATOM 989 N PRO A 69 19.153 -5.350 14.521 1.00 0.00 N ATOM 990 CA PRO A 69 19.754 -5.077 13.212 1.00 0.00 C ATOM 991 C PRO A 69 21.187 -5.588 13.114 1.00 0.00 C ATOM 992 O PRO A 69 21.810 -5.955 14.110 1.00 0.00 O ATOM 993 CB PRO A 69 19.723 -3.549 13.119 1.00 0.00 C ATOM 994 CG PRO A 69 19.719 -3.084 14.535 1.00 0.00 C ATOM 995 CD PRO A 69 18.956 -4.123 15.310 1.00 0.00 C ATOM 0 HA PRO A 69 19.218 -5.578 12.405 1.00 0.00 H new ATOM 0 HB2 PRO A 69 20.590 -3.167 12.579 1.00 0.00 H new ATOM 0 HB3 PRO A 69 18.838 -3.203 12.586 1.00 0.00 H new ATOM 0 HG2 PRO A 69 20.735 -2.982 14.915 1.00 0.00 H new ATOM 0 HG3 PRO A 69 19.246 -2.106 14.623 1.00 0.00 H new ATOM 0 HD2 PRO A 69 19.341 -4.231 16.324 1.00 0.00 H new ATOM 0 HD3 PRO A 69 17.900 -3.866 15.396 1.00 0.00 H new ATOM 1003 N PRO A 70 21.725 -5.612 11.885 1.00 0.00 N ATOM 1004 CA PRO A 70 23.092 -6.075 11.628 1.00 0.00 C ATOM 1005 C PRO A 70 24.142 -5.114 12.175 1.00 0.00 C ATOM 1006 O PRO A 70 23.843 -3.982 12.556 1.00 0.00 O ATOM 1007 CB PRO A 70 23.165 -6.134 10.100 1.00 0.00 C ATOM 1008 CG PRO A 70 22.146 -5.152 9.634 1.00 0.00 C ATOM 1009 CD PRO A 70 21.040 -5.189 10.652 1.00 0.00 C ATOM 0 HA PRO A 70 23.298 -7.028 12.115 1.00 0.00 H new ATOM 0 HB2 PRO A 70 24.160 -5.872 9.741 1.00 0.00 H new ATOM 0 HB3 PRO A 70 22.946 -7.136 9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 70 22.573 -4.152 9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 70 21.774 -5.416 8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.569 -4.213 10.769 1.00 0.00 H new ATOM 0 HD3 PRO A 70 20.255 -5.890 10.368 1.00 0.00 H new ATOM 1017 N PRO A 71 25.401 -5.573 12.216 1.00 0.00 N ATOM 1018 CA PRO A 71 26.521 -4.769 12.714 1.00 0.00 C ATOM 1019 C PRO A 71 26.868 -3.615 11.779 1.00 0.00 C ATOM 1020 O PRO A 71 26.437 -3.587 10.627 1.00 0.00 O ATOM 1021 CB PRO A 71 27.677 -5.771 12.778 1.00 0.00 C ATOM 1022 CG PRO A 71 27.330 -6.814 11.772 1.00 0.00 C ATOM 1023 CD PRO A 71 25.829 -6.912 11.778 1.00 0.00 C ATOM 0 HA PRO A 71 26.292 -4.300 13.671 1.00 0.00 H new ATOM 0 HB2 PRO A 71 28.628 -5.294 12.542 1.00 0.00 H new ATOM 0 HB3 PRO A 71 27.775 -6.200 13.775 1.00 0.00 H new ATOM 0 HG2 PRO A 71 27.699 -6.541 10.783 1.00 0.00 H new ATOM 0 HG3 PRO A 71 27.785 -7.771 12.029 1.00 0.00 H new ATOM 0 HD2 PRO A 71 25.438 -7.155 10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 71 25.480 -7.688 12.459 1.00 0.00 H new ATOM 1031 N ALA A 72 27.649 -2.666 12.283 1.00 0.00 N ATOM 1032 CA ALA A 72 28.055 -1.511 11.492 1.00 0.00 C ATOM 1033 C ALA A 72 28.655 -1.943 10.158 1.00 0.00 C ATOM 1034 O ALA A 72 28.007 -1.848 9.116 1.00 0.00 O ATOM 1035 CB ALA A 72 29.050 -0.662 12.269 1.00 0.00 C ATOM 0 H ALA A 72 28.013 -2.674 13.236 1.00 0.00 H new ATOM 0 HA ALA A 72 27.167 -0.913 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 72 29.344 0.197 11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 72 28.588 -0.315 13.194 1.00 0.00 H new ATOM 0 HB3 ALA A 72 29.931 -1.259 12.505 1.00 0.00 H new ATOM 1041 N ALA A 73 29.895 -2.417 10.198 1.00 0.00 N ATOM 1042 CA ALA A 73 30.581 -2.865 8.992 1.00 0.00 C ATOM 1043 C ALA A 73 31.972 -3.399 9.318 1.00 0.00 C ATOM 1044 O ALA A 73 32.263 -4.574 9.100 1.00 0.00 O ATOM 1045 CB ALA A 73 30.673 -1.729 7.984 1.00 0.00 C ATOM 0 H ALA A 73 30.446 -2.501 11.052 1.00 0.00 H new ATOM 0 HA ALA A 73 30.001 -3.678 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 73 31.188 -2.078 7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 73 29.670 -1.395 7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 31.228 -0.899 8.421 1.00 0.00 H new ATOM 1051 N GLY A 74 32.829 -2.527 9.841 1.00 0.00 N ATOM 1052 CA GLY A 74 34.179 -2.930 10.188 1.00 0.00 C ATOM 1053 C GLY A 74 35.111 -2.921 8.992 1.00 0.00 C ATOM 1054 O GLY A 74 34.743 -3.364 7.905 1.00 0.00 O ATOM 0 H GLY A 74 32.612 -1.549 10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 74 34.569 -2.260 10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 74 34.157 -3.930 10.620 1.00 0.00 H new ATOM 1058 N GLY A 75 36.324 -2.413 9.193 1.00 0.00 N ATOM 1059 CA GLY A 75 37.292 -2.357 8.113 1.00 0.00 C ATOM 1060 C GLY A 75 37.821 -3.726 7.736 1.00 0.00 C ATOM 1061 O GLY A 75 38.887 -4.136 8.195 1.00 0.00 O ATOM 0 H GLY A 75 36.653 -2.040 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 75 36.831 -1.896 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 75 38.124 -1.718 8.408 1.00 0.00 H new ATOM 1065 N SER A 76 37.073 -4.437 6.898 1.00 0.00 N ATOM 1066 CA SER A 76 37.470 -5.772 6.464 1.00 0.00 C ATOM 1067 C SER A 76 37.533 -6.732 7.647 1.00 0.00 C ATOM 1068 O SER A 76 37.621 -6.325 8.806 1.00 0.00 O ATOM 1069 CB SER A 76 38.829 -5.719 5.762 1.00 0.00 C ATOM 1070 OG SER A 76 39.859 -6.198 6.610 1.00 0.00 O ATOM 0 H SER A 76 36.189 -4.111 6.506 1.00 0.00 H new ATOM 0 HA SER A 76 36.720 -6.137 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 76 38.795 -6.317 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 76 39.047 -4.694 5.462 1.00 0.00 H new ATOM 0 HG SER A 76 39.923 -5.625 7.402 1.00 0.00 H new ATOM 1076 N PRO A 77 37.485 -8.039 7.350 1.00 0.00 N ATOM 1077 CA PRO A 77 37.535 -9.086 8.375 1.00 0.00 C ATOM 1078 C PRO A 77 38.906 -9.186 9.036 1.00 0.00 C ATOM 1079 O PRO A 77 39.746 -9.986 8.625 1.00 0.00 O ATOM 1080 CB PRO A 77 37.224 -10.364 7.592 1.00 0.00 C ATOM 1081 CG PRO A 77 37.641 -10.063 6.194 1.00 0.00 C ATOM 1082 CD PRO A 77 37.379 -8.596 5.991 1.00 0.00 C ATOM 0 HA PRO A 77 36.840 -8.890 9.192 1.00 0.00 H new ATOM 0 HB2 PRO A 77 37.771 -11.217 7.993 1.00 0.00 H new ATOM 0 HB3 PRO A 77 36.164 -10.612 7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 77 38.695 -10.296 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 77 37.076 -10.663 5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 77 38.107 -8.148 5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 77 36.393 -8.420 5.560 1.00 0.00 H new ATOM 1090 N SER A 78 39.125 -8.369 10.061 1.00 0.00 N ATOM 1091 CA SER A 78 40.395 -8.363 10.776 1.00 0.00 C ATOM 1092 C SER A 78 41.536 -7.941 9.854 1.00 0.00 C ATOM 1093 O SER A 78 41.430 -7.996 8.629 1.00 0.00 O ATOM 1094 CB SER A 78 40.682 -9.748 11.360 1.00 0.00 C ATOM 1095 OG SER A 78 40.748 -9.701 12.775 1.00 0.00 O ATOM 0 H SER A 78 38.439 -7.702 10.415 1.00 0.00 H new ATOM 0 HA SER A 78 40.322 -7.641 11.589 1.00 0.00 H new ATOM 0 HB2 SER A 78 39.902 -10.445 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 78 41.623 -10.126 10.961 1.00 0.00 H new ATOM 0 HG SER A 78 40.931 -10.598 13.124 1.00 0.00 H new ATOM 1101 N PRO A 79 42.654 -7.510 10.457 1.00 0.00 N ATOM 1102 CA PRO A 79 43.836 -7.070 9.710 1.00 0.00 C ATOM 1103 C PRO A 79 44.542 -8.226 9.010 1.00 0.00 C ATOM 1104 O PRO A 79 44.268 -9.399 9.266 1.00 0.00 O ATOM 1105 CB PRO A 79 44.737 -6.471 10.793 1.00 0.00 C ATOM 1106 CG PRO A 79 44.324 -7.154 12.051 1.00 0.00 C ATOM 1107 CD PRO A 79 42.850 -7.418 11.913 1.00 0.00 C ATOM 0 HA PRO A 79 43.579 -6.370 8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 79 45.790 -6.648 10.574 1.00 0.00 H new ATOM 0 HB3 PRO A 79 44.604 -5.392 10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 79 44.876 -8.084 12.190 1.00 0.00 H new ATOM 0 HG3 PRO A 79 44.529 -6.529 12.920 1.00 0.00 H new ATOM 0 HD2 PRO A 79 42.558 -8.340 12.417 1.00 0.00 H new ATOM 0 HD3 PRO A 79 42.256 -6.615 12.348 1.00 0.00 H new ATOM 1115 N PRO A 80 45.474 -7.891 8.106 1.00 0.00 N ATOM 1116 CA PRO A 80 46.240 -8.887 7.351 1.00 0.00 C ATOM 1117 C PRO A 80 47.227 -9.648 8.230 1.00 0.00 C ATOM 1118 O PRO A 80 47.374 -9.350 9.415 1.00 0.00 O ATOM 1119 CB PRO A 80 46.987 -8.048 6.311 1.00 0.00 C ATOM 1120 CG PRO A 80 47.096 -6.695 6.925 1.00 0.00 C ATOM 1121 CD PRO A 80 45.853 -6.513 7.751 1.00 0.00 C ATOM 0 HA PRO A 80 45.596 -9.653 6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 80 47.971 -8.466 6.097 1.00 0.00 H new ATOM 0 HB3 PRO A 80 46.444 -8.012 5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 80 47.990 -6.618 7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 80 47.171 -5.924 6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 80 46.045 -5.908 8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 80 45.066 -6.012 7.187 1.00 0.00 H new ATOM 1129 N ALA A 81 47.901 -10.631 7.642 1.00 0.00 N ATOM 1130 CA ALA A 81 48.875 -11.432 8.372 1.00 0.00 C ATOM 1131 C ALA A 81 49.715 -12.277 7.419 1.00 0.00 C ATOM 1132 O ALA A 81 50.061 -13.417 7.727 1.00 0.00 O ATOM 1133 CB ALA A 81 48.173 -12.320 9.388 1.00 0.00 C ATOM 0 H ALA A 81 47.790 -10.891 6.662 1.00 0.00 H new ATOM 0 HA ALA A 81 49.544 -10.753 8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 81 48.913 -12.913 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 81 47.622 -11.699 10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 81 47.480 -12.985 8.873 1.00 0.00 H new ATOM 1139 N ASP A 82 50.039 -11.709 6.263 1.00 0.00 N ATOM 1140 CA ASP A 82 50.839 -12.410 5.265 1.00 0.00 C ATOM 1141 C ASP A 82 50.026 -13.514 4.594 1.00 0.00 C ATOM 1142 O ASP A 82 49.684 -13.418 3.417 1.00 0.00 O ATOM 1143 CB ASP A 82 52.093 -13.003 5.910 1.00 0.00 C ATOM 1144 CG ASP A 82 53.200 -13.250 4.904 1.00 0.00 C ATOM 1145 OD1 ASP A 82 53.894 -12.280 4.535 1.00 0.00 O ATOM 1146 OD2 ASP A 82 53.372 -14.414 4.486 1.00 0.00 O ATOM 0 H ASP A 82 49.760 -10.766 5.994 1.00 0.00 H new ATOM 0 HA ASP A 82 51.138 -11.690 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 82 52.454 -12.326 6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 82 51.836 -13.942 6.401 1.00 0.00 H new ATOM 1151 N GLY A 83 49.722 -14.562 5.354 1.00 0.00 N ATOM 1152 CA GLY A 83 48.953 -15.669 4.816 1.00 0.00 C ATOM 1153 C GLY A 83 49.783 -16.928 4.657 1.00 0.00 C ATOM 1154 O GLY A 83 50.304 -17.205 3.577 1.00 0.00 O ATOM 0 H GLY A 83 49.994 -14.664 6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 83 48.109 -15.875 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 83 48.541 -15.385 3.848 1.00 0.00 H new ATOM 1158 N GLY A 84 49.907 -17.693 5.737 1.00 0.00 N ATOM 1159 CA GLY A 84 50.682 -18.919 5.692 1.00 0.00 C ATOM 1160 C GLY A 84 50.428 -19.810 6.892 1.00 0.00 C ATOM 1161 O GLY A 84 49.480 -20.595 6.901 1.00 0.00 O ATOM 0 H GLY A 84 49.485 -17.486 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 84 50.440 -19.465 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 84 51.743 -18.673 5.644 1.00 0.00 H new ATOM 1165 N SER A 85 51.279 -19.690 7.907 1.00 0.00 N ATOM 1166 CA SER A 85 51.145 -20.495 9.115 1.00 0.00 C ATOM 1167 C SER A 85 52.004 -19.929 10.242 1.00 0.00 C ATOM 1168 O SER A 85 52.996 -20.526 10.661 1.00 0.00 O ATOM 1169 CB SER A 85 51.543 -21.945 8.834 1.00 0.00 C ATOM 1170 OG SER A 85 51.098 -22.806 9.868 1.00 0.00 O ATOM 0 H SER A 85 52.068 -19.043 7.916 1.00 0.00 H new ATOM 0 HA SER A 85 50.101 -20.467 9.427 1.00 0.00 H new ATOM 0 HB2 SER A 85 51.118 -22.264 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 85 52.626 -22.016 8.739 1.00 0.00 H new ATOM 0 HG SER A 85 51.364 -23.727 9.664 1.00 0.00 H new ATOM 1176 N PRO A 86 51.614 -18.749 10.747 1.00 0.00 N ATOM 1177 CA PRO A 86 52.333 -18.076 11.832 1.00 0.00 C ATOM 1178 C PRO A 86 52.187 -18.804 13.164 1.00 0.00 C ATOM 1179 O PRO A 86 51.358 -19.702 13.320 1.00 0.00 O ATOM 1180 CB PRO A 86 51.666 -16.699 11.899 1.00 0.00 C ATOM 1181 CG PRO A 86 50.300 -16.913 11.345 1.00 0.00 C ATOM 1182 CD PRO A 86 50.441 -17.981 10.296 1.00 0.00 C ATOM 0 HA PRO A 86 53.406 -18.037 11.646 1.00 0.00 H new ATOM 0 HB2 PRO A 86 51.624 -16.329 12.923 1.00 0.00 H new ATOM 0 HB3 PRO A 86 52.219 -15.962 11.316 1.00 0.00 H new ATOM 0 HG2 PRO A 86 49.606 -17.223 12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 86 49.905 -15.993 10.914 1.00 0.00 H new ATOM 0 HD2 PRO A 86 49.550 -18.606 10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 86 50.597 -17.553 9.306 1.00 0.00 H new ATOM 1190 N PRO A 87 53.008 -18.410 14.148 1.00 0.00 N ATOM 1191 CA PRO A 87 52.988 -19.012 15.485 1.00 0.00 C ATOM 1192 C PRO A 87 51.726 -18.656 16.262 1.00 0.00 C ATOM 1193 O PRO A 87 50.961 -17.770 15.879 1.00 0.00 O ATOM 1194 CB PRO A 87 54.222 -18.412 16.163 1.00 0.00 C ATOM 1195 CG PRO A 87 54.453 -17.122 15.455 1.00 0.00 C ATOM 1196 CD PRO A 87 54.020 -17.346 14.033 1.00 0.00 C ATOM 0 HA PRO A 87 52.996 -20.101 15.442 1.00 0.00 H new ATOM 0 HB2 PRO A 87 54.051 -18.254 17.228 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.084 -19.073 16.073 1.00 0.00 H new ATOM 0 HG2 PRO A 87 53.880 -16.317 15.915 1.00 0.00 H new ATOM 0 HG3 PRO A 87 55.503 -16.834 15.502 1.00 0.00 H new ATOM 0 HD2 PRO A 87 53.603 -16.440 13.593 1.00 0.00 H new ATOM 0 HD3 PRO A 87 54.855 -17.652 13.402 1.00 0.00 H new ATOM 1204 N PRO A 88 51.501 -19.359 17.382 1.00 0.00 N ATOM 1205 CA PRO A 88 50.332 -19.133 18.238 1.00 0.00 C ATOM 1206 C PRO A 88 50.402 -17.799 18.973 1.00 0.00 C ATOM 1207 O PRO A 88 51.439 -17.136 19.010 1.00 0.00 O ATOM 1208 CB PRO A 88 50.391 -20.295 19.232 1.00 0.00 C ATOM 1209 CG PRO A 88 51.829 -20.682 19.279 1.00 0.00 C ATOM 1210 CD PRO A 88 52.371 -20.429 17.899 1.00 0.00 C ATOM 0 HA PRO A 88 49.407 -19.093 17.663 1.00 0.00 H new ATOM 0 HB2 PRO A 88 50.030 -19.993 20.215 1.00 0.00 H new ATOM 0 HB3 PRO A 88 49.768 -21.127 18.905 1.00 0.00 H new ATOM 0 HG2 PRO A 88 52.367 -20.095 20.023 1.00 0.00 H new ATOM 0 HG3 PRO A 88 51.942 -21.730 19.557 1.00 0.00 H new ATOM 0 HD2 PRO A 88 53.416 -20.119 17.928 1.00 0.00 H new ATOM 0 HD3 PRO A 88 52.321 -21.323 17.277 1.00 0.00 H new ATOM 1218 N PRO A 89 49.273 -17.393 19.573 1.00 0.00 N ATOM 1219 CA PRO A 89 49.181 -16.135 20.319 1.00 0.00 C ATOM 1220 C PRO A 89 49.974 -16.174 21.621 1.00 0.00 C ATOM 1221 O PRO A 89 49.648 -16.929 22.536 1.00 0.00 O ATOM 1222 CB PRO A 89 47.683 -16.004 20.610 1.00 0.00 C ATOM 1223 CG PRO A 89 47.169 -17.402 20.588 1.00 0.00 C ATOM 1224 CD PRO A 89 47.999 -18.133 19.569 1.00 0.00 C ATOM 0 HA PRO A 89 49.596 -15.297 19.758 1.00 0.00 H new ATOM 0 HB2 PRO A 89 47.507 -15.533 21.577 1.00 0.00 H new ATOM 0 HB3 PRO A 89 47.187 -15.388 19.860 1.00 0.00 H new ATOM 0 HG2 PRO A 89 47.259 -17.866 21.570 1.00 0.00 H new ATOM 0 HG3 PRO A 89 46.113 -17.425 20.320 1.00 0.00 H new ATOM 0 HD2 PRO A 89 48.141 -19.179 19.842 1.00 0.00 H new ATOM 0 HD3 PRO A 89 47.530 -18.121 18.585 1.00 0.00 H new ATOM 1232 N ALA A 90 51.018 -15.354 21.696 1.00 0.00 N ATOM 1233 CA ALA A 90 51.857 -15.293 22.887 1.00 0.00 C ATOM 1234 C ALA A 90 52.523 -16.638 23.159 1.00 0.00 C ATOM 1235 O ALA A 90 52.456 -17.552 22.336 1.00 0.00 O ATOM 1236 CB ALA A 90 51.034 -14.857 24.090 1.00 0.00 C ATOM 0 H ALA A 90 51.303 -14.723 20.947 1.00 0.00 H new ATOM 0 HA ALA A 90 52.642 -14.557 22.711 1.00 0.00 H new ATOM 0 HB1 ALA A 90 51.673 -14.816 24.972 1.00 0.00 H new ATOM 0 HB2 ALA A 90 50.610 -13.871 23.903 1.00 0.00 H new ATOM 0 HB3 ALA A 90 50.229 -15.572 24.258 1.00 0.00 H new ATOM 1242 N ASP A 91 53.165 -16.751 24.316 1.00 0.00 N ATOM 1243 CA ASP A 91 53.844 -17.985 24.696 1.00 0.00 C ATOM 1244 C ASP A 91 53.018 -18.769 25.711 1.00 0.00 C ATOM 1245 O ASP A 91 52.327 -18.187 26.546 1.00 0.00 O ATOM 1246 CB ASP A 91 55.225 -17.675 25.274 1.00 0.00 C ATOM 1247 CG ASP A 91 56.194 -18.829 25.109 1.00 0.00 C ATOM 1248 OD1 ASP A 91 56.269 -19.387 23.994 1.00 0.00 O ATOM 1249 OD2 ASP A 91 56.879 -19.174 26.095 1.00 0.00 O ATOM 0 H ASP A 91 53.230 -16.004 25.007 1.00 0.00 H new ATOM 0 HA ASP A 91 53.962 -18.596 23.801 1.00 0.00 H new ATOM 0 HB2 ASP A 91 55.631 -16.791 24.783 1.00 0.00 H new ATOM 0 HB3 ASP A 91 55.127 -17.435 26.333 1.00 0.00 H new ATOM 1254 N GLY A 92 53.094 -20.094 25.632 1.00 0.00 N ATOM 1255 CA GLY A 92 52.348 -20.936 26.549 1.00 0.00 C ATOM 1256 C GLY A 92 52.767 -20.736 27.992 1.00 0.00 C ATOM 1257 O GLY A 92 53.755 -20.058 28.270 1.00 0.00 O ATOM 0 H GLY A 92 53.659 -20.599 24.949 1.00 0.00 H new ATOM 0 HA2 GLY A 92 51.284 -20.722 26.450 1.00 0.00 H new ATOM 0 HA3 GLY A 92 52.490 -21.981 26.274 1.00 0.00 H new ATOM 1261 N GLY A 93 52.013 -21.327 28.913 1.00 0.00 N ATOM 1262 CA GLY A 93 52.326 -21.196 30.324 1.00 0.00 C ATOM 1263 C GLY A 93 53.109 -22.381 30.856 1.00 0.00 C ATOM 1264 O GLY A 93 53.826 -22.264 31.850 1.00 0.00 O ATOM 0 H GLY A 93 51.191 -21.894 28.707 1.00 0.00 H new ATOM 0 HA2 GLY A 93 52.901 -20.284 30.482 1.00 0.00 H new ATOM 0 HA3 GLY A 93 51.401 -21.092 30.890 1.00 0.00 H new ATOM 1268 N SER A 94 52.971 -23.525 30.194 1.00 0.00 N ATOM 1269 CA SER A 94 53.667 -24.737 30.609 1.00 0.00 C ATOM 1270 C SER A 94 53.229 -25.163 32.007 1.00 0.00 C ATOM 1271 O SER A 94 53.842 -24.807 33.013 1.00 0.00 O ATOM 1272 CB SER A 94 55.181 -24.516 30.582 1.00 0.00 C ATOM 1273 OG SER A 94 55.548 -23.624 29.544 1.00 0.00 O ATOM 0 H SER A 94 52.383 -23.638 29.368 1.00 0.00 H new ATOM 0 HA SER A 94 53.410 -25.532 29.908 1.00 0.00 H new ATOM 0 HB2 SER A 94 55.511 -24.118 31.542 1.00 0.00 H new ATOM 0 HB3 SER A 94 55.688 -25.470 30.442 1.00 0.00 H new ATOM 0 HG SER A 94 56.520 -23.498 29.549 1.00 0.00 H new ATOM 1279 N PRO A 95 52.141 -25.945 32.072 1.00 0.00 N ATOM 1280 CA PRO A 95 51.402 -26.375 30.880 1.00 0.00 C ATOM 1281 C PRO A 95 50.656 -25.224 30.214 1.00 0.00 C ATOM 1282 O PRO A 95 50.421 -24.175 30.814 1.00 0.00 O ATOM 1283 CB PRO A 95 50.414 -27.407 31.429 1.00 0.00 C ATOM 1284 CG PRO A 95 50.229 -27.032 32.859 1.00 0.00 C ATOM 1285 CD PRO A 95 51.547 -26.469 33.313 1.00 0.00 C ATOM 0 HA PRO A 95 52.065 -26.767 30.109 1.00 0.00 H new ATOM 0 HB2 PRO A 95 49.469 -27.378 30.887 1.00 0.00 H new ATOM 0 HB3 PRO A 95 50.805 -28.420 31.333 1.00 0.00 H new ATOM 0 HG2 PRO A 95 49.432 -26.297 32.970 1.00 0.00 H new ATOM 0 HG3 PRO A 95 49.948 -27.899 33.457 1.00 0.00 H new ATOM 0 HD2 PRO A 95 51.413 -25.684 34.057 1.00 0.00 H new ATOM 0 HD3 PRO A 95 52.176 -27.235 33.767 1.00 0.00 H new ATOM 1293 N PRO A 96 50.272 -25.423 28.945 1.00 0.00 N ATOM 1294 CA PRO A 96 49.545 -24.412 28.170 1.00 0.00 C ATOM 1295 C PRO A 96 48.120 -24.212 28.672 1.00 0.00 C ATOM 1296 O PRO A 96 47.245 -25.046 28.439 1.00 0.00 O ATOM 1297 CB PRO A 96 49.537 -24.991 26.753 1.00 0.00 C ATOM 1298 CG PRO A 96 49.665 -26.463 26.943 1.00 0.00 C ATOM 1299 CD PRO A 96 50.518 -26.649 28.167 1.00 0.00 C ATOM 0 HA PRO A 96 50.012 -23.429 28.241 1.00 0.00 H new ATOM 0 HB2 PRO A 96 48.616 -24.739 26.228 1.00 0.00 H new ATOM 0 HB3 PRO A 96 50.361 -24.596 26.159 1.00 0.00 H new ATOM 0 HG2 PRO A 96 48.687 -26.926 27.075 1.00 0.00 H new ATOM 0 HG3 PRO A 96 50.125 -26.931 26.072 1.00 0.00 H new ATOM 0 HD2 PRO A 96 50.233 -27.542 28.723 1.00 0.00 H new ATOM 0 HD3 PRO A 96 51.572 -26.757 27.910 1.00 0.00 H new ATOM 1307 N VAL A 97 47.892 -23.100 29.364 1.00 0.00 N ATOM 1308 CA VAL A 97 46.571 -22.789 29.898 1.00 0.00 C ATOM 1309 C VAL A 97 45.823 -21.823 28.986 1.00 0.00 C ATOM 1310 O VAL A 97 44.604 -21.913 28.836 1.00 0.00 O ATOM 1311 CB VAL A 97 46.666 -22.176 31.308 1.00 0.00 C ATOM 1312 CG1 VAL A 97 45.282 -22.034 31.922 1.00 0.00 C ATOM 1313 CG2 VAL A 97 47.568 -23.021 32.195 1.00 0.00 C ATOM 0 H VAL A 97 48.605 -22.400 29.568 1.00 0.00 H new ATOM 0 HA VAL A 97 46.023 -23.730 29.954 1.00 0.00 H new ATOM 0 HB VAL A 97 47.104 -21.181 31.225 1.00 0.00 H new ATOM 0 HG11 VAL A 97 45.369 -21.599 32.918 1.00 0.00 H new ATOM 0 HG12 VAL A 97 44.671 -21.385 31.295 1.00 0.00 H new ATOM 0 HG13 VAL A 97 44.813 -23.016 31.994 1.00 0.00 H new ATOM 0 HG21 VAL A 97 47.624 -22.574 33.188 1.00 0.00 H new ATOM 0 HG22 VAL A 97 47.160 -24.029 32.273 1.00 0.00 H new ATOM 0 HG23 VAL A 97 48.567 -23.066 31.760 1.00 0.00 H new ATOM 1323 N ASP A 98 46.560 -20.900 28.378 1.00 0.00 N ATOM 1324 CA ASP A 98 45.967 -19.918 27.478 1.00 0.00 C ATOM 1325 C ASP A 98 45.788 -20.500 26.080 1.00 0.00 C ATOM 1326 O ASP A 98 44.885 -20.106 25.343 1.00 0.00 O ATOM 1327 CB ASP A 98 46.838 -18.662 27.414 1.00 0.00 C ATOM 1328 CG ASP A 98 46.091 -17.417 27.851 1.00 0.00 C ATOM 1329 OD1 ASP A 98 44.959 -17.204 27.368 1.00 0.00 O ATOM 1330 OD2 ASP A 98 46.639 -16.654 28.675 1.00 0.00 O ATOM 0 H ASP A 98 47.570 -20.811 28.492 1.00 0.00 H new ATOM 0 HA ASP A 98 44.985 -19.650 27.868 1.00 0.00 H new ATOM 0 HB2 ASP A 98 47.714 -18.798 28.048 1.00 0.00 H new ATOM 0 HB3 ASP A 98 47.200 -18.526 26.395 1.00 0.00 H new ATOM 1335 N GLY A 99 46.657 -21.440 25.720 1.00 0.00 N ATOM 1336 CA GLY A 99 46.579 -22.060 24.410 1.00 0.00 C ATOM 1337 C GLY A 99 45.345 -22.926 24.251 1.00 0.00 C ATOM 1338 O GLY A 99 44.623 -23.173 25.216 1.00 0.00 O ATOM 0 H GLY A 99 47.413 -21.783 26.312 1.00 0.00 H new ATOM 0 HA2 GLY A 99 46.576 -21.285 23.644 1.00 0.00 H new ATOM 0 HA3 GLY A 99 47.469 -22.667 24.245 1.00 0.00 H new ATOM 1342 N GLY A 100 45.100 -23.387 23.028 1.00 0.00 N ATOM 1343 CA GLY A 100 43.943 -24.223 22.768 1.00 0.00 C ATOM 1344 C GLY A 100 42.908 -23.528 21.906 1.00 0.00 C ATOM 1345 O GLY A 100 43.249 -22.870 20.924 1.00 0.00 O ATOM 0 H GLY A 100 45.682 -23.196 22.213 1.00 0.00 H new ATOM 0 HA2 GLY A 100 44.265 -25.141 22.275 1.00 0.00 H new ATOM 0 HA3 GLY A 100 43.488 -24.513 23.715 1.00 0.00 H new ATOM 1349 N SER A 101 41.639 -23.676 22.273 1.00 0.00 N ATOM 1350 CA SER A 101 40.549 -23.062 21.523 1.00 0.00 C ATOM 1351 C SER A 101 40.523 -23.575 20.086 1.00 0.00 C ATOM 1352 O SER A 101 40.873 -22.867 19.141 1.00 0.00 O ATOM 1353 CB SER A 101 40.692 -21.539 21.531 1.00 0.00 C ATOM 1354 OG SER A 101 41.078 -21.070 22.810 1.00 0.00 O ATOM 0 H SER A 101 41.340 -24.216 23.085 1.00 0.00 H new ATOM 0 HA SER A 101 39.610 -23.334 22.004 1.00 0.00 H new ATOM 0 HB2 SER A 101 41.432 -21.236 20.791 1.00 0.00 H new ATOM 0 HB3 SER A 101 39.746 -21.080 21.242 1.00 0.00 H new ATOM 0 HG SER A 101 41.164 -20.094 22.788 1.00 0.00 H new ATOM 1360 N PRO A 102 40.099 -24.836 19.916 1.00 0.00 N ATOM 1361 CA PRO A 102 40.016 -25.472 18.598 1.00 0.00 C ATOM 1362 C PRO A 102 38.906 -24.879 17.737 1.00 0.00 C ATOM 1363 O PRO A 102 38.059 -24.121 18.209 1.00 0.00 O ATOM 1364 CB PRO A 102 39.711 -26.935 18.929 1.00 0.00 C ATOM 1365 CG PRO A 102 39.045 -26.891 20.261 1.00 0.00 C ATOM 1366 CD PRO A 102 39.667 -25.737 20.997 1.00 0.00 C ATOM 0 HA PRO A 102 40.930 -25.332 18.020 1.00 0.00 H new ATOM 0 HB2 PRO A 102 39.063 -27.384 18.177 1.00 0.00 H new ATOM 0 HB3 PRO A 102 40.622 -27.532 18.962 1.00 0.00 H new ATOM 0 HG2 PRO A 102 37.969 -26.752 20.155 1.00 0.00 H new ATOM 0 HG3 PRO A 102 39.194 -27.825 20.803 1.00 0.00 H new ATOM 0 HD2 PRO A 102 38.952 -25.253 21.662 1.00 0.00 H new ATOM 0 HD3 PRO A 102 40.507 -26.059 21.612 1.00 0.00 H new ATOM 1374 N PRO A 103 38.909 -25.231 16.442 1.00 0.00 N ATOM 1375 CA PRO A 103 39.912 -26.132 15.869 1.00 0.00 C ATOM 1376 C PRO A 103 41.294 -25.491 15.798 1.00 0.00 C ATOM 1377 O PRO A 103 41.455 -24.284 15.979 1.00 0.00 O ATOM 1378 CB PRO A 103 39.378 -26.408 14.461 1.00 0.00 C ATOM 1379 CG PRO A 103 38.536 -25.223 14.137 1.00 0.00 C ATOM 1380 CD PRO A 103 37.932 -24.775 15.439 1.00 0.00 C ATOM 0 HA PRO A 103 40.046 -27.030 16.473 1.00 0.00 H new ATOM 0 HB2 PRO A 103 40.191 -26.524 13.745 1.00 0.00 H new ATOM 0 HB3 PRO A 103 38.795 -27.328 14.432 1.00 0.00 H new ATOM 0 HG2 PRO A 103 39.135 -24.429 13.691 1.00 0.00 H new ATOM 0 HG3 PRO A 103 37.761 -25.481 13.416 1.00 0.00 H new ATOM 0 HD2 PRO A 103 37.799 -23.694 15.470 1.00 0.00 H new ATOM 0 HD3 PRO A 103 36.951 -25.221 15.602 1.00 0.00 H new ATOM 1388 N PRO A 104 42.317 -26.316 15.530 1.00 0.00 N ATOM 1389 CA PRO A 104 43.704 -25.851 15.428 1.00 0.00 C ATOM 1390 C PRO A 104 43.939 -24.996 14.187 1.00 0.00 C ATOM 1391 O PRO A 104 43.108 -24.933 13.281 1.00 0.00 O ATOM 1392 CB PRO A 104 44.508 -27.151 15.343 1.00 0.00 C ATOM 1393 CG PRO A 104 43.556 -28.149 14.781 1.00 0.00 C ATOM 1394 CD PRO A 104 42.199 -27.766 15.303 1.00 0.00 C ATOM 0 HA PRO A 104 43.984 -25.215 16.268 1.00 0.00 H new ATOM 0 HB2 PRO A 104 45.383 -27.034 14.703 1.00 0.00 H new ATOM 0 HB3 PRO A 104 44.870 -27.458 16.324 1.00 0.00 H new ATOM 0 HG2 PRO A 104 43.573 -28.134 13.691 1.00 0.00 H new ATOM 0 HG3 PRO A 104 43.822 -29.160 15.090 1.00 0.00 H new ATOM 0 HD2 PRO A 104 41.412 -27.997 14.585 1.00 0.00 H new ATOM 0 HD3 PRO A 104 41.958 -28.298 16.223 1.00 0.00 H new ATOM 1402 N PRO A 105 45.098 -24.322 14.144 1.00 0.00 N ATOM 1403 CA PRO A 105 45.469 -23.459 13.018 1.00 0.00 C ATOM 1404 C PRO A 105 45.771 -24.255 11.753 1.00 0.00 C ATOM 1405 O PRO A 105 45.693 -25.483 11.747 1.00 0.00 O ATOM 1406 CB PRO A 105 46.730 -22.749 13.517 1.00 0.00 C ATOM 1407 CG PRO A 105 47.306 -23.671 14.536 1.00 0.00 C ATOM 1408 CD PRO A 105 46.134 -24.351 15.189 1.00 0.00 C ATOM 0 HA PRO A 105 44.662 -22.780 12.741 1.00 0.00 H new ATOM 0 HB2 PRO A 105 47.432 -22.571 12.703 1.00 0.00 H new ATOM 0 HB3 PRO A 105 46.492 -21.778 13.951 1.00 0.00 H new ATOM 0 HG2 PRO A 105 47.971 -24.399 14.072 1.00 0.00 H new ATOM 0 HG3 PRO A 105 47.897 -23.122 15.269 1.00 0.00 H new ATOM 0 HD2 PRO A 105 46.376 -25.371 15.487 1.00 0.00 H new ATOM 0 HD3 PRO A 105 45.813 -23.824 16.088 1.00 0.00 H new ATOM 1416 N SER A 106 46.117 -23.547 10.682 1.00 0.00 N ATOM 1417 CA SER A 106 46.427 -24.187 9.410 1.00 0.00 C ATOM 1418 C SER A 106 45.275 -25.078 8.955 1.00 0.00 C ATOM 1419 O SER A 106 45.366 -26.305 9.005 1.00 0.00 O ATOM 1420 CB SER A 106 47.709 -25.014 9.530 1.00 0.00 C ATOM 1421 OG SER A 106 47.892 -25.840 8.394 1.00 0.00 O ATOM 0 H SER A 106 46.189 -22.530 10.671 1.00 0.00 H new ATOM 0 HA SER A 106 46.575 -23.405 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 106 48.565 -24.349 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 106 47.665 -25.630 10.428 1.00 0.00 H new ATOM 0 HG SER A 106 47.229 -26.561 8.404 1.00 0.00 H new ATOM 1427 N THR A 107 44.191 -24.451 8.509 1.00 0.00 N ATOM 1428 CA THR A 107 43.020 -25.185 8.045 1.00 0.00 C ATOM 1429 C THR A 107 43.387 -26.159 6.931 1.00 0.00 C ATOM 1430 O THR A 107 44.024 -25.781 5.947 1.00 0.00 O ATOM 1431 CB THR A 107 41.924 -24.230 7.537 1.00 0.00 C ATOM 1432 OG1 THR A 107 42.017 -22.972 8.215 1.00 0.00 O ATOM 1433 CG2 THR A 107 40.542 -24.828 7.754 1.00 0.00 C ATOM 0 H THR A 107 44.100 -23.436 8.459 1.00 0.00 H new ATOM 0 HA THR A 107 42.638 -25.743 8.900 1.00 0.00 H new ATOM 0 HB THR A 107 42.073 -24.078 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 107 41.318 -22.370 7.885 1.00 0.00 H new ATOM 0 HG21 THR A 107 39.784 -24.135 7.387 1.00 0.00 H new ATOM 0 HG22 THR A 107 40.464 -25.771 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 107 40.386 -25.007 8.818 1.00 0.00 H new ATOM 1441 N HIS A 108 42.981 -27.414 7.091 1.00 0.00 N ATOM 1442 CA HIS A 108 43.266 -28.442 6.097 1.00 0.00 C ATOM 1443 C HIS A 108 44.758 -28.492 5.779 1.00 0.00 C ATOM 1444 O HIS A 108 45.521 -29.189 6.449 1.00 0.00 O ATOM 1445 CB HIS A 108 42.469 -28.181 4.818 1.00 0.00 C ATOM 1446 CG HIS A 108 41.545 -29.300 4.449 1.00 0.00 C ATOM 1447 ND1 HIS A 108 41.450 -29.806 3.169 1.00 0.00 N ATOM 1448 CD2 HIS A 108 40.674 -30.013 5.199 1.00 0.00 C ATOM 1449 CE1 HIS A 108 40.558 -30.780 3.149 1.00 0.00 C ATOM 1450 NE2 HIS A 108 40.073 -30.927 4.368 1.00 0.00 N ATOM 0 H HIS A 108 42.454 -27.744 7.899 1.00 0.00 H new ATOM 0 HA HIS A 108 42.968 -29.405 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 108 41.888 -27.267 4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 108 43.164 -28.008 3.996 1.00 0.00 H new ATOM 0 HD2 HIS A 108 40.486 -29.887 6.255 1.00 0.00 H new ATOM 0 HE1 HIS A 108 40.274 -31.358 2.282 1.00 0.00 H new ATOM 0 HE2 HIS A 108 39.367 -31.608 4.647 1.00 0.00 H new TER 1458 HIS A 108