USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 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 21 LYS NZ :NH3+ -152:sc= -0.303 (180deg=-0.402) USER MOD Set 1.2: A 24 LYS NZ :NH3+ 155:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0293) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -61:sc= 0.185 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -115:sc= 0.563! USER MOD Single : A 13 TYR OH : rot -146:sc= 0.457 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= -0.828 K(o=-0.83,f=-0.13) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.0706 (180deg=-0.351) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 34 HIS : no HD1:sc=-0.00198 X(o=-0.002,f=-0.14) USER MOD Single : A 38 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-2.2) 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 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -41:sc= 0.116 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -79:sc= -0.416 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 56:sc= 0.908 USER MOD Single : A 85 SER OG : rot 59:sc= 0.217 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -61:sc= 0.548 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.025 -0.413 2.269 1.00 0.00 N ATOM 2 CA ALA A 1 2.484 -1.459 3.174 1.00 0.00 C ATOM 3 C ALA A 1 3.649 -2.236 2.569 1.00 0.00 C ATOM 4 O ALA A 1 3.449 -3.208 1.842 1.00 0.00 O ATOM 5 CB ALA A 1 1.340 -2.402 3.516 1.00 0.00 C ATOM 0 H1 ALA A 1 1.232 0.100 2.705 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.804 0.249 2.080 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.710 -0.841 1.375 1.00 0.00 H new ATOM 0 HA ALA A 1 2.834 -0.984 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.698 -3.178 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.538 -1.842 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.963 -2.863 2.603 1.00 0.00 H new ATOM 11 N GLY A 2 4.868 -1.799 2.874 1.00 0.00 N ATOM 12 CA GLY A 2 6.046 -2.465 2.351 1.00 0.00 C ATOM 13 C GLY A 2 7.249 -1.545 2.282 1.00 0.00 C ATOM 14 O GLY A 2 8.391 -2.004 2.282 1.00 0.00 O ATOM 0 H GLY A 2 5.060 -0.996 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.284 -3.323 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.830 -2.850 1.355 1.00 0.00 H new ATOM 18 N SER A 3 6.993 -0.242 2.221 1.00 0.00 N ATOM 19 CA SER A 3 8.063 0.745 2.145 1.00 0.00 C ATOM 20 C SER A 3 8.931 0.702 3.399 1.00 0.00 C ATOM 21 O SER A 3 8.454 0.947 4.508 1.00 0.00 O ATOM 22 CB SER A 3 7.481 2.148 1.962 1.00 0.00 C ATOM 23 OG SER A 3 6.138 2.088 1.512 1.00 0.00 O ATOM 0 H SER A 3 6.053 0.154 2.223 1.00 0.00 H new ATOM 0 HA SER A 3 8.686 0.503 1.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.528 2.691 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.084 2.705 1.244 1.00 0.00 H new ATOM 0 HG SER A 3 5.788 2.997 1.404 1.00 0.00 H new ATOM 29 N LYS A 4 10.209 0.389 3.216 1.00 0.00 N ATOM 30 CA LYS A 4 11.147 0.315 4.331 1.00 0.00 C ATOM 31 C LYS A 4 12.525 -0.130 3.854 1.00 0.00 C ATOM 32 O LYS A 4 12.786 -0.195 2.652 1.00 0.00 O ATOM 33 CB LYS A 4 10.627 -0.652 5.397 1.00 0.00 C ATOM 34 CG LYS A 4 10.082 -1.950 4.827 1.00 0.00 C ATOM 35 CD LYS A 4 10.490 -3.145 5.672 1.00 0.00 C ATOM 36 CE LYS A 4 10.513 -4.426 4.851 1.00 0.00 C ATOM 37 NZ LYS A 4 11.357 -5.476 5.486 1.00 0.00 N ATOM 0 H LYS A 4 10.620 0.182 2.306 1.00 0.00 H new ATOM 0 HA LYS A 4 11.237 1.311 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.434 -0.881 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.842 -0.159 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.995 -1.896 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.446 -2.082 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.476 -2.969 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.796 -3.257 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.496 -4.800 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.892 -4.210 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.347 -6.333 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.333 -5.129 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.981 -5.700 6.429 1.00 0.00 H new ATOM 51 N LEU A 5 13.403 -0.438 4.802 1.00 0.00 N ATOM 52 CA LEU A 5 14.756 -0.879 4.478 1.00 0.00 C ATOM 53 C LEU A 5 14.864 -2.399 4.548 1.00 0.00 C ATOM 54 O LEU A 5 14.346 -3.027 5.471 1.00 0.00 O ATOM 55 CB LEU A 5 15.764 -0.240 5.434 1.00 0.00 C ATOM 56 CG LEU A 5 16.751 0.747 4.809 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.478 2.159 5.302 1.00 0.00 C ATOM 58 CD2 LEU A 5 18.183 0.338 5.120 1.00 0.00 C ATOM 0 H LEU A 5 13.203 -0.391 5.801 1.00 0.00 H new ATOM 0 HA LEU A 5 14.981 -0.564 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.212 0.277 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.333 -1.036 5.915 1.00 0.00 H new ATOM 0 HG LEU A 5 16.617 0.730 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 5 17.190 2.847 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.464 2.451 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.584 2.193 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.872 1.052 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.331 0.325 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.373 -0.656 4.716 1.00 0.00 H new ATOM 70 N CYS A 6 15.541 -2.984 3.566 1.00 0.00 N ATOM 71 CA CYS A 6 15.720 -4.430 3.515 1.00 0.00 C ATOM 72 C CYS A 6 17.201 -4.797 3.551 1.00 0.00 C ATOM 73 O CYS A 6 17.998 -4.275 2.773 1.00 0.00 O ATOM 74 CB CYS A 6 15.072 -5.001 2.253 1.00 0.00 C ATOM 75 SG CYS A 6 13.252 -4.919 2.249 1.00 0.00 S ATOM 0 H CYS A 6 15.975 -2.478 2.794 1.00 0.00 H new ATOM 0 HA CYS A 6 15.236 -4.862 4.391 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.451 -4.460 1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.378 -6.041 2.139 1.00 0.00 H new ATOM 80 N GLU A 7 17.560 -5.699 4.460 1.00 0.00 N ATOM 81 CA GLU A 7 18.944 -6.135 4.597 1.00 0.00 C ATOM 82 C GLU A 7 19.063 -7.642 4.392 1.00 0.00 C ATOM 83 O GLU A 7 18.223 -8.412 4.860 1.00 0.00 O ATOM 84 CB GLU A 7 19.489 -5.751 5.974 1.00 0.00 C ATOM 85 CG GLU A 7 18.792 -6.459 7.123 1.00 0.00 C ATOM 86 CD GLU A 7 19.499 -6.255 8.449 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.244 -5.223 9.104 1.00 0.00 O ATOM 88 OE2 GLU A 7 20.306 -7.128 8.832 1.00 0.00 O ATOM 0 H GLU A 7 16.912 -6.141 5.112 1.00 0.00 H new ATOM 0 HA GLU A 7 19.533 -5.634 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.554 -5.979 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.389 -4.674 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.768 -6.094 7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.735 -7.526 6.906 1.00 0.00 H new ATOM 95 N LYS A 8 20.112 -8.058 3.690 1.00 0.00 N ATOM 96 CA LYS A 8 20.343 -9.472 3.423 1.00 0.00 C ATOM 97 C LYS A 8 21.467 -10.015 4.300 1.00 0.00 C ATOM 98 O LYS A 8 22.344 -9.268 4.737 1.00 0.00 O ATOM 99 CB LYS A 8 20.685 -9.685 1.947 1.00 0.00 C ATOM 100 CG LYS A 8 19.482 -10.036 1.089 1.00 0.00 C ATOM 101 CD LYS A 8 19.848 -11.022 -0.008 1.00 0.00 C ATOM 102 CE LYS A 8 19.066 -10.752 -1.284 1.00 0.00 C ATOM 103 NZ LYS A 8 17.597 -10.871 -1.070 1.00 0.00 N ATOM 0 H LYS A 8 20.816 -7.434 3.295 1.00 0.00 H new ATOM 0 HA LYS A 8 19.427 -10.014 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.148 -8.779 1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.424 -10.482 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.699 -10.462 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.075 -9.129 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.916 -10.958 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.650 -12.038 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.300 -9.752 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.378 -11.454 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.105 -10.781 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.381 -11.798 -0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.278 -10.118 -0.428 1.00 0.00 H new ATOM 117 N THR A 9 21.438 -11.320 4.552 1.00 0.00 N ATOM 118 CA THR A 9 22.455 -11.962 5.376 1.00 0.00 C ATOM 119 C THR A 9 23.202 -13.033 4.590 1.00 0.00 C ATOM 120 O THR A 9 23.188 -14.208 4.957 1.00 0.00 O ATOM 121 CB THR A 9 21.837 -12.601 6.634 1.00 0.00 C ATOM 122 OG1 THR A 9 20.722 -11.822 7.082 1.00 0.00 O ATOM 123 CG2 THR A 9 22.868 -12.707 7.748 1.00 0.00 C ATOM 0 H THR A 9 20.721 -11.953 4.197 1.00 0.00 H new ATOM 0 HA THR A 9 23.155 -11.183 5.680 1.00 0.00 H new ATOM 0 HB THR A 9 21.498 -13.604 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.334 -12.236 7.881 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.409 -13.161 8.626 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.702 -13.324 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.232 -11.712 8.003 1.00 0.00 H new ATOM 131 N SER A 10 23.855 -12.620 3.508 1.00 0.00 N ATOM 132 CA SER A 10 24.606 -13.546 2.669 1.00 0.00 C ATOM 133 C SER A 10 23.738 -14.731 2.254 1.00 0.00 C ATOM 134 O SER A 10 24.087 -15.886 2.494 1.00 0.00 O ATOM 135 CB SER A 10 25.849 -14.045 3.408 1.00 0.00 C ATOM 136 OG SER A 10 26.520 -15.045 2.661 1.00 0.00 O ATOM 0 H SER A 10 23.879 -11.650 3.192 1.00 0.00 H new ATOM 0 HA SER A 10 24.916 -13.012 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.525 -13.210 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.562 -14.445 4.381 1.00 0.00 H new ATOM 0 HG SER A 10 25.923 -15.811 2.529 1.00 0.00 H new ATOM 142 N LYS A 11 22.603 -14.434 1.630 1.00 0.00 N ATOM 143 CA LYS A 11 21.683 -15.472 1.180 1.00 0.00 C ATOM 144 C LYS A 11 21.978 -15.873 -0.261 1.00 0.00 C ATOM 145 O LYS A 11 21.075 -16.244 -1.012 1.00 0.00 O ATOM 146 CB LYS A 11 20.236 -14.987 1.299 1.00 0.00 C ATOM 147 CG LYS A 11 19.956 -14.218 2.579 1.00 0.00 C ATOM 148 CD LYS A 11 20.385 -15.004 3.807 1.00 0.00 C ATOM 149 CE LYS A 11 19.677 -16.349 3.883 1.00 0.00 C ATOM 150 NZ LYS A 11 19.775 -16.951 5.242 1.00 0.00 N ATOM 0 H LYS A 11 22.298 -13.483 1.424 1.00 0.00 H new ATOM 0 HA LYS A 11 21.821 -16.345 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.003 -14.351 0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.568 -15.847 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 11 20.483 -13.264 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.892 -13.993 2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.463 -15.160 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.167 -14.426 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.628 -16.223 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.112 -17.030 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.281 -17.866 5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.776 -17.095 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.337 -16.313 5.937 1.00 0.00 H new ATOM 164 N THR A 12 23.250 -15.798 -0.643 1.00 0.00 N ATOM 165 CA THR A 12 23.664 -16.154 -1.994 1.00 0.00 C ATOM 166 C THR A 12 25.177 -16.055 -2.149 1.00 0.00 C ATOM 167 O THR A 12 25.781 -16.791 -2.930 1.00 0.00 O ATOM 168 CB THR A 12 22.992 -15.249 -3.045 1.00 0.00 C ATOM 169 OG1 THR A 12 23.221 -15.771 -4.359 1.00 0.00 O ATOM 170 CG2 THR A 12 23.526 -13.828 -2.957 1.00 0.00 C ATOM 0 H THR A 12 24.011 -15.494 -0.035 1.00 0.00 H new ATOM 0 HA THR A 12 23.351 -17.185 -2.159 1.00 0.00 H new ATOM 0 HB THR A 12 21.921 -15.230 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.763 -15.137 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.037 -13.208 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.323 -13.424 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.602 -13.832 -3.134 1.00 0.00 H new ATOM 178 N TYR A 13 25.785 -15.141 -1.401 1.00 0.00 N ATOM 179 CA TYR A 13 27.229 -14.944 -1.457 1.00 0.00 C ATOM 180 C TYR A 13 27.962 -16.282 -1.429 1.00 0.00 C ATOM 181 O TYR A 13 28.495 -16.731 -2.444 1.00 0.00 O ATOM 182 CB TYR A 13 27.692 -14.072 -0.289 1.00 0.00 C ATOM 183 CG TYR A 13 29.167 -13.746 -0.324 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.639 -12.650 -1.036 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.090 -14.533 0.353 1.00 0.00 C ATOM 186 CE1 TYR A 13 30.987 -12.347 -1.072 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.439 -14.238 0.324 1.00 0.00 C ATOM 188 CZ TYR A 13 31.883 -13.144 -0.390 1.00 0.00 C ATOM 189 OH TYR A 13 33.226 -12.847 -0.423 1.00 0.00 O ATOM 0 H TYR A 13 25.300 -14.525 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 13 27.465 -14.440 -2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.123 -13.142 -0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.463 -14.582 0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 13 28.940 -12.024 -1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.747 -15.391 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.337 -11.491 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.142 -14.860 0.857 1.00 0.00 H new ATOM 0 HH TYR A 13 33.745 -13.678 -0.403 1.00 0.00 H new ATOM 199 N SER A 14 27.983 -16.914 -0.260 1.00 0.00 N ATOM 200 CA SER A 14 28.653 -18.199 -0.097 1.00 0.00 C ATOM 201 C SER A 14 30.126 -18.097 -0.484 1.00 0.00 C ATOM 202 O SER A 14 30.586 -17.054 -0.947 1.00 0.00 O ATOM 203 CB SER A 14 27.964 -19.268 -0.947 1.00 0.00 C ATOM 204 OG SER A 14 28.019 -20.535 -0.315 1.00 0.00 O ATOM 0 H SER A 14 27.544 -16.557 0.588 1.00 0.00 H new ATOM 0 HA SER A 14 28.590 -18.483 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 14 26.924 -18.988 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.443 -19.324 -1.924 1.00 0.00 H new ATOM 0 HG SER A 14 27.570 -21.201 -0.877 1.00 0.00 H new ATOM 210 N GLY A 15 30.859 -19.188 -0.289 1.00 0.00 N ATOM 211 CA GLY A 15 32.272 -19.202 -0.621 1.00 0.00 C ATOM 212 C GLY A 15 33.089 -18.299 0.282 1.00 0.00 C ATOM 213 O GLY A 15 32.558 -17.697 1.216 1.00 0.00 O ATOM 0 H GLY A 15 30.500 -20.063 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 15 32.649 -20.222 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 15 32.402 -18.888 -1.657 1.00 0.00 H new ATOM 217 N LYS A 16 34.385 -18.205 0.006 1.00 0.00 N ATOM 218 CA LYS A 16 35.278 -17.370 0.800 1.00 0.00 C ATOM 219 C LYS A 16 34.724 -15.956 0.936 1.00 0.00 C ATOM 220 O LYS A 16 34.196 -15.390 -0.022 1.00 0.00 O ATOM 221 CB LYS A 16 36.669 -17.325 0.163 1.00 0.00 C ATOM 222 CG LYS A 16 36.660 -16.861 -1.283 1.00 0.00 C ATOM 223 CD LYS A 16 38.035 -16.990 -1.919 1.00 0.00 C ATOM 224 CE LYS A 16 37.976 -16.773 -3.423 1.00 0.00 C ATOM 225 NZ LYS A 16 39.334 -16.747 -4.033 1.00 0.00 N ATOM 0 H LYS A 16 34.841 -18.697 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 16 35.355 -17.808 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.305 -16.659 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.116 -18.318 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.939 -17.450 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.332 -15.823 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.713 -16.263 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.443 -17.979 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 16 37.387 -17.567 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 16 37.465 -15.834 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 39.251 -16.597 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.888 -15.973 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 39.813 -17.653 -3.853 1.00 0.00 H new ATOM 239 N CYS A 17 34.847 -15.389 2.131 1.00 0.00 N ATOM 240 CA CYS A 17 34.360 -14.040 2.392 1.00 0.00 C ATOM 241 C CYS A 17 35.500 -13.028 2.331 1.00 0.00 C ATOM 242 O CYS A 17 36.669 -13.385 2.475 1.00 0.00 O ATOM 243 CB CYS A 17 33.680 -13.977 3.762 1.00 0.00 C ATOM 244 SG CYS A 17 32.578 -12.543 3.980 1.00 0.00 S ATOM 0 H CYS A 17 35.280 -15.843 2.935 1.00 0.00 H new ATOM 0 HA CYS A 17 33.633 -13.788 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.104 -14.890 3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 17 34.447 -13.953 4.536 1.00 0.00 H new ATOM 249 N ASP A 18 35.151 -11.764 2.118 1.00 0.00 N ATOM 250 CA ASP A 18 36.145 -10.699 2.039 1.00 0.00 C ATOM 251 C ASP A 18 35.513 -9.344 2.340 1.00 0.00 C ATOM 252 O ASP A 18 34.403 -9.268 2.864 1.00 0.00 O ATOM 253 CB ASP A 18 36.792 -10.678 0.653 1.00 0.00 C ATOM 254 CG ASP A 18 38.297 -10.514 0.720 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.969 -11.415 1.265 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.804 -9.484 0.226 1.00 0.00 O ATOM 0 H ASP A 18 34.188 -11.452 1.997 1.00 0.00 H new ATOM 0 HA ASP A 18 36.913 -10.896 2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.553 -11.604 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.366 -9.862 0.069 1.00 0.00 H new ATOM 261 N ASN A 19 36.230 -8.275 2.006 1.00 0.00 N ATOM 262 CA ASN A 19 35.741 -6.922 2.243 1.00 0.00 C ATOM 263 C ASN A 19 35.053 -6.367 0.999 1.00 0.00 C ATOM 264 O ASN A 19 33.828 -6.254 0.951 1.00 0.00 O ATOM 265 CB ASN A 19 36.894 -6.005 2.654 1.00 0.00 C ATOM 266 CG ASN A 19 37.577 -6.468 3.926 1.00 0.00 C ATOM 267 OD1 ASN A 19 38.798 -6.616 3.970 1.00 0.00 O ATOM 268 ND2 ASN A 19 36.788 -6.701 4.969 1.00 0.00 N ATOM 0 H ASN A 19 37.151 -8.320 1.571 1.00 0.00 H new ATOM 0 HA ASN A 19 35.012 -6.962 3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 19 37.626 -5.962 1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.516 -4.992 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 19 37.190 -7.016 5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 19 35.780 -6.565 4.887 1.00 0.00 H new ATOM 275 N LYS A 20 35.850 -6.022 -0.006 1.00 0.00 N ATOM 276 CA LYS A 20 35.320 -5.480 -1.252 1.00 0.00 C ATOM 277 C LYS A 20 34.476 -6.520 -1.982 1.00 0.00 C ATOM 278 O LYS A 20 33.465 -6.190 -2.602 1.00 0.00 O ATOM 279 CB LYS A 20 36.463 -5.010 -2.155 1.00 0.00 C ATOM 280 CG LYS A 20 36.062 -3.907 -3.119 1.00 0.00 C ATOM 281 CD LYS A 20 36.213 -4.348 -4.565 1.00 0.00 C ATOM 282 CE LYS A 20 35.195 -3.664 -5.465 1.00 0.00 C ATOM 283 NZ LYS A 20 35.711 -2.378 -6.009 1.00 0.00 N ATOM 0 H LYS A 20 36.866 -6.108 0.018 1.00 0.00 H new ATOM 0 HA LYS A 20 34.685 -4.629 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.285 -4.656 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.838 -5.860 -2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 20 35.028 -3.617 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.677 -3.025 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 20 37.220 -4.119 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 20 36.091 -5.429 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 20 34.935 -4.328 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 20 34.280 -3.479 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 34.988 -1.943 -6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 35.936 -1.734 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 36.570 -2.557 -6.567 1.00 0.00 H new ATOM 297 N LYS A 21 34.897 -7.778 -1.904 1.00 0.00 N ATOM 298 CA LYS A 21 34.179 -8.868 -2.554 1.00 0.00 C ATOM 299 C LYS A 21 32.754 -8.975 -2.021 1.00 0.00 C ATOM 300 O LYS A 21 31.808 -9.173 -2.784 1.00 0.00 O ATOM 301 CB LYS A 21 34.917 -10.191 -2.340 1.00 0.00 C ATOM 302 CG LYS A 21 36.282 -10.241 -3.003 1.00 0.00 C ATOM 303 CD LYS A 21 36.186 -9.989 -4.498 1.00 0.00 C ATOM 304 CE LYS A 21 36.640 -8.582 -4.857 1.00 0.00 C ATOM 305 NZ LYS A 21 35.704 -7.923 -5.809 1.00 0.00 N ATOM 0 H LYS A 21 35.733 -8.068 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 21 34.133 -8.654 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.036 -10.362 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.305 -11.005 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.935 -9.496 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.738 -11.215 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.798 -10.717 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.157 -10.136 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 21 36.717 -7.983 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 21 37.636 -8.623 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 36.224 -7.229 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 35.281 -8.640 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 34.952 -7.439 -5.278 1.00 0.00 H new ATOM 319 N CYS A 22 32.608 -8.843 -0.707 1.00 0.00 N ATOM 320 CA CYS A 22 31.298 -8.925 -0.071 1.00 0.00 C ATOM 321 C CYS A 22 30.411 -7.760 -0.501 1.00 0.00 C ATOM 322 O CYS A 22 29.331 -7.961 -1.055 1.00 0.00 O ATOM 323 CB CYS A 22 31.447 -8.931 1.452 1.00 0.00 C ATOM 324 SG CYS A 22 30.782 -10.423 2.258 1.00 0.00 S ATOM 0 H CYS A 22 33.381 -8.679 -0.062 1.00 0.00 H new ATOM 0 HA CYS A 22 30.826 -9.855 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.503 -8.835 1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.942 -8.055 1.859 1.00 0.00 H new ATOM 329 N ASP A 23 30.876 -6.543 -0.242 1.00 0.00 N ATOM 330 CA ASP A 23 30.127 -5.345 -0.604 1.00 0.00 C ATOM 331 C ASP A 23 29.756 -5.362 -2.084 1.00 0.00 C ATOM 332 O ASP A 23 28.615 -5.084 -2.453 1.00 0.00 O ATOM 333 CB ASP A 23 30.942 -4.091 -0.283 1.00 0.00 C ATOM 334 CG ASP A 23 30.070 -2.863 -0.108 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.839 -2.981 -0.280 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.619 -1.785 0.201 1.00 0.00 O ATOM 0 H ASP A 23 31.768 -6.360 0.217 1.00 0.00 H new ATOM 0 HA ASP A 23 29.208 -5.330 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.517 -4.258 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.659 -3.913 -1.084 1.00 0.00 H new ATOM 341 N LYS A 24 30.729 -5.688 -2.928 1.00 0.00 N ATOM 342 CA LYS A 24 30.507 -5.742 -4.368 1.00 0.00 C ATOM 343 C LYS A 24 29.514 -6.843 -4.725 1.00 0.00 C ATOM 344 O LYS A 24 28.560 -6.616 -5.470 1.00 0.00 O ATOM 345 CB LYS A 24 31.830 -5.977 -5.100 1.00 0.00 C ATOM 346 CG LYS A 24 31.661 -6.278 -6.579 1.00 0.00 C ATOM 347 CD LYS A 24 33.003 -6.467 -7.267 1.00 0.00 C ATOM 348 CE LYS A 24 33.115 -7.844 -7.902 1.00 0.00 C ATOM 349 NZ LYS A 24 34.362 -7.986 -8.703 1.00 0.00 N ATOM 0 H LYS A 24 31.680 -5.919 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 24 30.090 -4.785 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.460 -5.095 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.355 -6.806 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 24 31.058 -7.178 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.118 -5.463 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.132 -5.701 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.806 -6.333 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.095 -8.606 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.250 -8.020 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.624 -8.991 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.204 -7.613 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 35.130 -7.454 -8.246 1.00 0.00 H new ATOM 363 N LYS A 25 29.742 -8.036 -4.187 1.00 0.00 N ATOM 364 CA LYS A 25 28.866 -9.173 -4.446 1.00 0.00 C ATOM 365 C LYS A 25 27.447 -8.887 -3.964 1.00 0.00 C ATOM 366 O LYS A 25 26.488 -9.507 -4.424 1.00 0.00 O ATOM 367 CB LYS A 25 29.407 -10.428 -3.758 1.00 0.00 C ATOM 368 CG LYS A 25 28.688 -11.702 -4.164 1.00 0.00 C ATOM 369 CD LYS A 25 29.650 -12.874 -4.273 1.00 0.00 C ATOM 370 CE LYS A 25 29.595 -13.513 -5.653 1.00 0.00 C ATOM 371 NZ LYS A 25 29.966 -12.549 -6.725 1.00 0.00 N ATOM 0 H LYS A 25 30.527 -8.241 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 25 28.838 -9.341 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.467 -10.530 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.326 -10.304 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 25 27.913 -11.933 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.188 -11.550 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.665 -12.533 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.405 -13.619 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 25 30.270 -14.368 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 25 28.590 -13.893 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 30.358 -13.067 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 29.121 -12.022 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 30.678 -11.884 -6.362 1.00 0.00 H new ATOM 385 N CYS A 26 27.321 -7.945 -3.035 1.00 0.00 N ATOM 386 CA CYS A 26 26.020 -7.577 -2.491 1.00 0.00 C ATOM 387 C CYS A 26 25.222 -6.755 -3.499 1.00 0.00 C ATOM 388 O CYS A 26 24.077 -7.082 -3.813 1.00 0.00 O ATOM 389 CB CYS A 26 26.193 -6.785 -1.193 1.00 0.00 C ATOM 390 SG CYS A 26 26.397 -7.823 0.290 1.00 0.00 S ATOM 0 H CYS A 26 28.105 -7.423 -2.643 1.00 0.00 H new ATOM 0 HA CYS A 26 25.469 -8.494 -2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 26 27.062 -6.134 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.325 -6.140 -1.055 1.00 0.00 H new ATOM 395 N ILE A 27 25.834 -5.689 -4.002 1.00 0.00 N ATOM 396 CA ILE A 27 25.181 -4.821 -4.975 1.00 0.00 C ATOM 397 C ILE A 27 25.193 -5.448 -6.365 1.00 0.00 C ATOM 398 O ILE A 27 24.441 -5.037 -7.247 1.00 0.00 O ATOM 399 CB ILE A 27 25.858 -3.440 -5.041 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.091 -2.894 -3.631 1.00 0.00 C ATOM 401 CG2 ILE A 27 25.012 -2.474 -5.856 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.545 -2.612 -3.324 1.00 0.00 C ATOM 0 H ILE A 27 26.781 -5.405 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 27 24.150 -4.695 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 27 26.825 -3.549 -5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.517 -1.976 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.707 -3.611 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.504 -1.502 -5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.893 -2.860 -6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 27 24.032 -2.367 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.634 -2.228 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.121 -3.533 -3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.928 -1.872 -4.027 1.00 0.00 H new ATOM 414 N GLU A 28 26.051 -6.446 -6.550 1.00 0.00 N ATOM 415 CA GLU A 28 26.160 -7.130 -7.834 1.00 0.00 C ATOM 416 C GLU A 28 25.080 -8.200 -7.973 1.00 0.00 C ATOM 417 O GLU A 28 24.447 -8.324 -9.022 1.00 0.00 O ATOM 418 CB GLU A 28 27.544 -7.766 -7.983 1.00 0.00 C ATOM 419 CG GLU A 28 28.612 -6.794 -8.457 1.00 0.00 C ATOM 420 CD GLU A 28 29.041 -7.053 -9.888 1.00 0.00 C ATOM 421 OE1 GLU A 28 28.235 -6.797 -10.806 1.00 0.00 O ATOM 422 OE2 GLU A 28 30.186 -7.512 -10.089 1.00 0.00 O ATOM 0 H GLU A 28 26.680 -6.799 -5.829 1.00 0.00 H new ATOM 0 HA GLU A 28 26.021 -6.391 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.847 -8.186 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.480 -8.595 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.234 -5.775 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.480 -6.866 -7.802 1.00 0.00 H new ATOM 429 N TRP A 29 24.876 -8.968 -6.910 1.00 0.00 N ATOM 430 CA TRP A 29 23.874 -10.028 -6.914 1.00 0.00 C ATOM 431 C TRP A 29 22.636 -9.608 -6.128 1.00 0.00 C ATOM 432 O TRP A 29 21.513 -9.715 -6.620 1.00 0.00 O ATOM 433 CB TRP A 29 24.457 -11.312 -6.323 1.00 0.00 C ATOM 434 CG TRP A 29 25.069 -12.215 -7.351 1.00 0.00 C ATOM 435 CD1 TRP A 29 25.979 -11.868 -8.308 1.00 0.00 C ATOM 436 CD2 TRP A 29 24.812 -13.612 -7.526 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.305 -12.966 -9.067 1.00 0.00 N ATOM 438 CE2 TRP A 29 25.603 -14.049 -8.607 1.00 0.00 C ATOM 439 CE3 TRP A 29 23.994 -14.538 -6.873 1.00 0.00 C ATOM 440 CZ2 TRP A 29 25.596 -15.369 -9.049 1.00 0.00 C ATOM 441 CZ3 TRP A 29 23.988 -15.848 -7.313 1.00 0.00 C ATOM 442 CH2 TRP A 29 24.785 -16.254 -8.392 1.00 0.00 C ATOM 0 H TRP A 29 25.391 -8.877 -6.034 1.00 0.00 H new ATOM 0 HA TRP A 29 23.581 -10.213 -7.947 1.00 0.00 H new ATOM 0 HB2 TRP A 29 25.213 -11.052 -5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.669 -11.852 -5.798 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.383 -10.876 -8.448 1.00 0.00 H new ATOM 0 HE1 TRP A 29 26.963 -12.974 -9.846 1.00 0.00 H new ATOM 0 HE3 TRP A 29 23.378 -14.235 -6.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 26.209 -15.683 -9.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 23.358 -16.572 -6.817 1.00 0.00 H new ATOM 0 HH2 TRP A 29 24.759 -17.285 -8.711 1.00 0.00 H new ATOM 453 N GLU A 30 22.849 -9.131 -4.906 1.00 0.00 N ATOM 454 CA GLU A 30 21.749 -8.696 -4.054 1.00 0.00 C ATOM 455 C GLU A 30 21.331 -7.268 -4.390 1.00 0.00 C ATOM 456 O GLU A 30 20.368 -6.742 -3.832 1.00 0.00 O ATOM 457 CB GLU A 30 22.149 -8.788 -2.580 1.00 0.00 C ATOM 458 CG GLU A 30 23.087 -9.944 -2.275 1.00 0.00 C ATOM 459 CD GLU A 30 23.345 -10.110 -0.789 1.00 0.00 C ATOM 460 OE1 GLU A 30 22.875 -9.258 -0.006 1.00 0.00 O ATOM 461 OE2 GLU A 30 24.017 -11.092 -0.411 1.00 0.00 O ATOM 0 H GLU A 30 23.773 -9.036 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 30 20.901 -9.356 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.628 -7.855 -2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.249 -8.892 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 30 22.662 -10.866 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 24.035 -9.783 -2.789 1.00 0.00 H new ATOM 468 N LYS A 31 22.063 -6.644 -5.307 1.00 0.00 N ATOM 469 CA LYS A 31 21.771 -5.277 -5.721 1.00 0.00 C ATOM 470 C LYS A 31 21.483 -4.393 -4.512 1.00 0.00 C ATOM 471 O LYS A 31 20.641 -3.497 -4.573 1.00 0.00 O ATOM 472 CB LYS A 31 20.576 -5.256 -6.678 1.00 0.00 C ATOM 473 CG LYS A 31 20.664 -6.295 -7.783 1.00 0.00 C ATOM 474 CD LYS A 31 21.997 -6.226 -8.508 1.00 0.00 C ATOM 475 CE LYS A 31 22.239 -4.846 -9.101 1.00 0.00 C ATOM 476 NZ LYS A 31 23.223 -4.887 -10.217 1.00 0.00 N ATOM 0 H LYS A 31 22.864 -7.064 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 31 22.648 -4.884 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.662 -5.420 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.498 -4.266 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.530 -7.290 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.853 -6.140 -8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.802 -6.472 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 31 22.020 -6.973 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.296 -4.436 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.601 -4.174 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.360 -3.928 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 24.131 -5.255 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.867 -5.508 -10.972 1.00 0.00 H new ATOM 490 N ALA A 32 22.188 -4.650 -3.415 1.00 0.00 N ATOM 491 CA ALA A 32 22.010 -3.875 -2.194 1.00 0.00 C ATOM 492 C ALA A 32 22.712 -2.525 -2.293 1.00 0.00 C ATOM 493 O ALA A 32 23.154 -2.123 -3.369 1.00 0.00 O ATOM 494 CB ALA A 32 22.528 -4.654 -0.994 1.00 0.00 C ATOM 0 H ALA A 32 22.888 -5.389 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 32 20.944 -3.692 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.389 -4.063 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.979 -5.591 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.589 -4.867 -1.129 1.00 0.00 H new ATOM 500 N GLN A 33 22.809 -1.829 -1.164 1.00 0.00 N ATOM 501 CA GLN A 33 23.457 -0.523 -1.126 1.00 0.00 C ATOM 502 C GLN A 33 24.822 -0.612 -0.453 1.00 0.00 C ATOM 503 O GLN A 33 25.811 -0.078 -0.957 1.00 0.00 O ATOM 504 CB GLN A 33 22.575 0.485 -0.387 1.00 0.00 C ATOM 505 CG GLN A 33 22.344 1.773 -1.161 1.00 0.00 C ATOM 506 CD GLN A 33 23.487 2.757 -1.010 1.00 0.00 C ATOM 507 OE1 GLN A 33 23.370 3.759 -0.303 1.00 0.00 O ATOM 508 NE2 GLN A 33 24.602 2.477 -1.675 1.00 0.00 N ATOM 0 H GLN A 33 22.448 -2.147 -0.265 1.00 0.00 H new ATOM 0 HA GLN A 33 23.600 -0.186 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.612 0.023 -0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.036 0.724 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.208 1.539 -2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.421 2.239 -0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.656 1.636 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 33 25.405 3.103 -1.611 1.00 0.00 H new ATOM 517 N HIS A 34 24.870 -1.290 0.690 1.00 0.00 N ATOM 518 CA HIS A 34 26.116 -1.449 1.433 1.00 0.00 C ATOM 519 C HIS A 34 26.185 -2.825 2.088 1.00 0.00 C ATOM 520 O HIS A 34 25.216 -3.286 2.690 1.00 0.00 O ATOM 521 CB HIS A 34 26.243 -0.357 2.496 1.00 0.00 C ATOM 522 CG HIS A 34 27.631 0.187 2.632 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.315 0.774 1.588 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.463 0.234 3.698 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.509 1.156 2.006 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.624 0.840 3.283 1.00 0.00 N ATOM 0 H HIS A 34 24.061 -1.738 1.122 1.00 0.00 H new ATOM 0 HA HIS A 34 26.944 -1.359 0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.564 0.459 2.249 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.923 -0.758 3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.253 -0.136 4.691 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.263 1.644 1.405 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.442 1.017 3.866 1.00 0.00 H new ATOM 534 N GLY A 35 27.338 -3.475 1.967 1.00 0.00 N ATOM 535 CA GLY A 35 27.512 -4.792 2.552 1.00 0.00 C ATOM 536 C GLY A 35 28.792 -4.904 3.357 1.00 0.00 C ATOM 537 O GLY A 35 29.767 -4.204 3.086 1.00 0.00 O ATOM 0 H GLY A 35 28.155 -3.113 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.661 -5.016 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.518 -5.540 1.760 1.00 0.00 H new ATOM 541 N ALA A 36 28.788 -5.786 4.351 1.00 0.00 N ATOM 542 CA ALA A 36 29.958 -5.988 5.198 1.00 0.00 C ATOM 543 C ALA A 36 30.166 -7.467 5.503 1.00 0.00 C ATOM 544 O ALA A 36 29.254 -8.279 5.343 1.00 0.00 O ATOM 545 CB ALA A 36 29.817 -5.195 6.489 1.00 0.00 C ATOM 0 H ALA A 36 27.988 -6.372 4.590 1.00 0.00 H new ATOM 0 HA ALA A 36 30.834 -5.629 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.697 -5.355 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.725 -4.134 6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.928 -5.527 7.025 1.00 0.00 H new ATOM 551 N CYS A 37 31.371 -7.812 5.943 1.00 0.00 N ATOM 552 CA CYS A 37 31.700 -9.194 6.271 1.00 0.00 C ATOM 553 C CYS A 37 32.163 -9.314 7.720 1.00 0.00 C ATOM 554 O CYS A 37 32.837 -8.427 8.243 1.00 0.00 O ATOM 555 CB CYS A 37 32.788 -9.717 5.331 1.00 0.00 C ATOM 556 SG CYS A 37 33.161 -11.488 5.539 1.00 0.00 S ATOM 0 H CYS A 37 32.137 -7.153 6.081 1.00 0.00 H new ATOM 0 HA CYS A 37 30.800 -9.796 6.145 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.479 -9.540 4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.700 -9.143 5.493 1.00 0.00 H new ATOM 561 N HIS A 38 31.798 -10.419 8.362 1.00 0.00 N ATOM 562 CA HIS A 38 32.176 -10.657 9.750 1.00 0.00 C ATOM 563 C HIS A 38 32.305 -12.151 10.030 1.00 0.00 C ATOM 564 O HIS A 38 31.504 -12.955 9.551 1.00 0.00 O ATOM 565 CB HIS A 38 31.147 -10.036 10.695 1.00 0.00 C ATOM 566 CG HIS A 38 31.363 -10.393 12.134 1.00 0.00 C ATOM 567 ND1 HIS A 38 32.602 -10.369 12.738 1.00 0.00 N ATOM 568 CD2 HIS A 38 30.487 -10.783 13.090 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.480 -10.730 14.003 1.00 0.00 C ATOM 570 NE2 HIS A 38 31.206 -10.986 14.242 1.00 0.00 N ATOM 0 H HIS A 38 31.241 -11.164 7.943 1.00 0.00 H new ATOM 0 HA HIS A 38 33.145 -10.188 9.922 1.00 0.00 H new ATOM 0 HB2 HIS A 38 31.177 -8.952 10.590 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.150 -10.358 10.395 1.00 0.00 H new ATOM 0 HD2 HIS A 38 29.421 -10.911 12.969 1.00 0.00 H new ATOM 0 HE1 HIS A 38 33.285 -10.803 14.720 1.00 0.00 H new ATOM 0 HE2 HIS A 38 30.819 -11.286 15.137 1.00 0.00 H new ATOM 578 N LYS A 39 33.317 -12.518 10.809 1.00 0.00 N ATOM 579 CA LYS A 39 33.551 -13.915 11.154 1.00 0.00 C ATOM 580 C LYS A 39 32.836 -14.283 12.450 1.00 0.00 C ATOM 581 O LYS A 39 32.948 -13.577 13.453 1.00 0.00 O ATOM 582 CB LYS A 39 35.051 -14.183 11.292 1.00 0.00 C ATOM 583 CG LYS A 39 35.682 -13.505 12.496 1.00 0.00 C ATOM 584 CD LYS A 39 35.832 -14.467 13.663 1.00 0.00 C ATOM 585 CE LYS A 39 37.294 -14.686 14.020 1.00 0.00 C ATOM 586 NZ LYS A 39 37.562 -16.094 14.424 1.00 0.00 N ATOM 0 H LYS A 39 33.989 -11.866 11.214 1.00 0.00 H new ATOM 0 HA LYS A 39 33.150 -14.534 10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.214 -15.258 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.557 -13.844 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.660 -13.110 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 39 35.069 -12.656 12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.299 -14.075 14.530 1.00 0.00 H new ATOM 0 HD3 LYS A 39 35.371 -15.422 13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.919 -14.428 13.165 1.00 0.00 H new ATOM 0 HE3 LYS A 39 37.574 -14.016 14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 38.569 -16.202 14.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 36.985 -16.332 15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 37.319 -16.732 13.640 1.00 0.00 H new ATOM 600 N ARG A 40 32.103 -15.391 12.423 1.00 0.00 N ATOM 601 CA ARG A 40 31.371 -15.852 13.596 1.00 0.00 C ATOM 602 C ARG A 40 31.089 -17.349 13.508 1.00 0.00 C ATOM 603 O ARG A 40 31.364 -17.982 12.490 1.00 0.00 O ATOM 604 CB ARG A 40 30.056 -15.082 13.737 1.00 0.00 C ATOM 605 CG ARG A 40 30.057 -14.079 14.879 1.00 0.00 C ATOM 606 CD ARG A 40 29.509 -14.690 16.159 1.00 0.00 C ATOM 607 NE ARG A 40 29.626 -13.779 17.294 1.00 0.00 N ATOM 608 CZ ARG A 40 28.940 -13.919 18.423 1.00 0.00 C ATOM 609 NH1 ARG A 40 28.092 -14.929 18.566 1.00 0.00 N ATOM 610 NH2 ARG A 40 29.101 -13.049 19.411 1.00 0.00 N ATOM 0 H ARG A 40 32.000 -15.986 11.601 1.00 0.00 H new ATOM 0 HA ARG A 40 31.989 -15.668 14.475 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.850 -14.557 12.804 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.243 -15.792 13.889 1.00 0.00 H new ATOM 0 HG2 ARG A 40 31.073 -13.723 15.051 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.457 -13.212 14.603 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.462 -14.956 16.014 1.00 0.00 H new ATOM 0 HD3 ARG A 40 30.045 -15.613 16.378 1.00 0.00 H new ATOM 0 HE ARG A 40 30.270 -12.992 17.216 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.966 -15.600 17.808 1.00 0.00 H new ATOM 0 HH12 ARG A 40 27.566 -15.035 19.434 1.00 0.00 H new ATOM 0 HH21 ARG A 40 29.752 -12.271 19.305 1.00 0.00 H new ATOM 0 HH22 ARG A 40 28.574 -13.158 20.277 1.00 0.00 H new ATOM 624 N GLU A 41 30.541 -17.907 14.583 1.00 0.00 N ATOM 625 CA GLU A 41 30.224 -19.330 14.626 1.00 0.00 C ATOM 626 C GLU A 41 31.413 -20.166 14.162 1.00 0.00 C ATOM 627 O GLU A 41 31.514 -20.522 12.988 1.00 0.00 O ATOM 628 CB GLU A 41 29.003 -19.630 13.754 1.00 0.00 C ATOM 629 CG GLU A 41 27.709 -19.049 14.298 1.00 0.00 C ATOM 630 CD GLU A 41 26.480 -19.647 13.642 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.439 -19.703 12.395 1.00 0.00 O ATOM 632 OE2 GLU A 41 25.558 -20.061 14.376 1.00 0.00 O ATOM 0 H GLU A 41 30.308 -17.396 15.435 1.00 0.00 H new ATOM 0 HA GLU A 41 29.997 -19.595 15.659 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.176 -19.235 12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.894 -20.710 13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.662 -19.220 15.373 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.708 -17.970 14.147 1.00 0.00 H new ATOM 639 N ALA A 42 32.311 -20.475 15.092 1.00 0.00 N ATOM 640 CA ALA A 42 33.492 -21.270 14.779 1.00 0.00 C ATOM 641 C ALA A 42 34.389 -20.550 13.778 1.00 0.00 C ATOM 642 O ALA A 42 35.358 -19.895 14.157 1.00 0.00 O ATOM 643 CB ALA A 42 33.083 -22.633 14.240 1.00 0.00 C ATOM 0 H ALA A 42 32.243 -20.187 16.068 1.00 0.00 H new ATOM 0 HA ALA A 42 34.059 -21.411 15.699 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.975 -23.216 14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 42 32.490 -23.157 14.989 1.00 0.00 H new ATOM 0 HB3 ALA A 42 32.491 -22.503 13.334 1.00 0.00 H new ATOM 649 N GLY A 43 34.059 -20.678 12.496 1.00 0.00 N ATOM 650 CA GLY A 43 34.846 -20.035 11.460 1.00 0.00 C ATOM 651 C GLY A 43 34.026 -19.711 10.227 1.00 0.00 C ATOM 652 O GLY A 43 34.540 -19.726 9.108 1.00 0.00 O ATOM 0 H GLY A 43 33.261 -21.215 12.157 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.281 -19.117 11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.675 -20.686 11.181 1.00 0.00 H new ATOM 656 N LYS A 44 32.746 -19.417 10.429 1.00 0.00 N ATOM 657 CA LYS A 44 31.852 -19.088 9.326 1.00 0.00 C ATOM 658 C LYS A 44 31.653 -17.579 9.218 1.00 0.00 C ATOM 659 O LYS A 44 31.117 -16.949 10.129 1.00 0.00 O ATOM 660 CB LYS A 44 30.500 -19.780 9.514 1.00 0.00 C ATOM 661 CG LYS A 44 30.610 -21.276 9.747 1.00 0.00 C ATOM 662 CD LYS A 44 29.722 -21.728 10.894 1.00 0.00 C ATOM 663 CE LYS A 44 30.387 -22.821 11.717 1.00 0.00 C ATOM 664 NZ LYS A 44 29.655 -24.114 11.617 1.00 0.00 N ATOM 0 H LYS A 44 32.304 -19.400 11.348 1.00 0.00 H new ATOM 0 HA LYS A 44 32.309 -19.443 8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.983 -19.326 10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.885 -19.602 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.331 -21.808 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.646 -21.536 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.493 -20.877 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.774 -22.094 10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 44 31.414 -22.958 11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.435 -22.511 12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.140 -24.833 12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.683 -23.990 11.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.631 -24.423 10.624 1.00 0.00 H new ATOM 678 N GLU A 45 32.086 -17.008 8.099 1.00 0.00 N ATOM 679 CA GLU A 45 31.954 -15.573 7.874 1.00 0.00 C ATOM 680 C GLU A 45 30.611 -15.246 7.227 1.00 0.00 C ATOM 681 O GLU A 45 30.246 -15.823 6.203 1.00 0.00 O ATOM 682 CB GLU A 45 33.095 -15.066 6.990 1.00 0.00 C ATOM 683 CG GLU A 45 34.156 -14.289 7.753 1.00 0.00 C ATOM 684 CD GLU A 45 35.237 -15.186 8.324 1.00 0.00 C ATOM 685 OE1 GLU A 45 34.915 -16.328 8.715 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.404 -14.746 8.382 1.00 0.00 O ATOM 0 H GLU A 45 32.531 -17.516 7.335 1.00 0.00 H new ATOM 0 HA GLU A 45 32.004 -15.073 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.565 -15.916 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.682 -14.429 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.612 -13.555 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.683 -13.735 8.564 1.00 0.00 H new ATOM 693 N SER A 46 29.881 -14.315 7.833 1.00 0.00 N ATOM 694 CA SER A 46 28.576 -13.913 7.319 1.00 0.00 C ATOM 695 C SER A 46 28.644 -12.523 6.694 1.00 0.00 C ATOM 696 O SER A 46 29.398 -11.661 7.146 1.00 0.00 O ATOM 697 CB SER A 46 27.536 -13.930 8.440 1.00 0.00 C ATOM 698 OG SER A 46 27.999 -14.673 9.555 1.00 0.00 O ATOM 0 H SER A 46 30.170 -13.825 8.680 1.00 0.00 H new ATOM 0 HA SER A 46 28.281 -14.625 6.548 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.312 -12.909 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.606 -14.363 8.071 1.00 0.00 H new ATOM 0 HG SER A 46 27.317 -14.667 10.258 1.00 0.00 H new ATOM 704 N CYS A 47 27.850 -12.312 5.649 1.00 0.00 N ATOM 705 CA CYS A 47 27.818 -11.028 4.959 1.00 0.00 C ATOM 706 C CYS A 47 26.468 -10.342 5.149 1.00 0.00 C ATOM 707 O CYS A 47 25.433 -10.856 4.724 1.00 0.00 O ATOM 708 CB CYS A 47 28.099 -11.220 3.468 1.00 0.00 C ATOM 709 SG CYS A 47 28.847 -9.768 2.659 1.00 0.00 S ATOM 0 H CYS A 47 27.220 -13.014 5.262 1.00 0.00 H new ATOM 0 HA CYS A 47 28.592 -10.393 5.389 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.763 -12.075 3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.165 -11.464 2.962 1.00 0.00 H new ATOM 714 N PHE A 48 26.487 -9.178 5.790 1.00 0.00 N ATOM 715 CA PHE A 48 25.266 -8.421 6.037 1.00 0.00 C ATOM 716 C PHE A 48 25.259 -7.122 5.236 1.00 0.00 C ATOM 717 O PHE A 48 26.166 -6.299 5.360 1.00 0.00 O ATOM 718 CB PHE A 48 25.124 -8.114 7.529 1.00 0.00 C ATOM 719 CG PHE A 48 26.386 -7.596 8.158 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.356 -8.472 8.617 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.602 -6.234 8.288 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.518 -7.998 9.196 1.00 0.00 C ATOM 723 CE2 PHE A 48 27.763 -5.754 8.866 1.00 0.00 C ATOM 724 CZ PHE A 48 28.722 -6.637 9.320 1.00 0.00 C ATOM 0 H PHE A 48 27.335 -8.739 6.148 1.00 0.00 H new ATOM 0 HA PHE A 48 24.420 -9.029 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.331 -7.379 7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.813 -9.020 8.050 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.203 -9.537 8.521 1.00 0.00 H new ATOM 0 HD2 PHE A 48 25.855 -5.539 7.934 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.266 -8.691 9.551 1.00 0.00 H new ATOM 0 HE2 PHE A 48 27.919 -4.690 8.962 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.630 -6.265 9.771 1.00 0.00 H new ATOM 734 N CYS A 49 24.230 -6.946 4.415 1.00 0.00 N ATOM 735 CA CYS A 49 24.103 -5.749 3.593 1.00 0.00 C ATOM 736 C CYS A 49 22.740 -5.092 3.793 1.00 0.00 C ATOM 737 O CYS A 49 21.750 -5.767 4.078 1.00 0.00 O ATOM 738 CB CYS A 49 24.302 -6.096 2.116 1.00 0.00 C ATOM 739 SG CYS A 49 25.494 -7.442 1.822 1.00 0.00 S ATOM 0 H CYS A 49 23.471 -7.618 4.301 1.00 0.00 H new ATOM 0 HA CYS A 49 24.875 -5.044 3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.340 -6.377 1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.639 -5.205 1.587 1.00 0.00 H new ATOM 744 N TYR A 50 22.698 -3.773 3.643 1.00 0.00 N ATOM 745 CA TYR A 50 21.458 -3.024 3.810 1.00 0.00 C ATOM 746 C TYR A 50 21.112 -2.253 2.540 1.00 0.00 C ATOM 747 O TYR A 50 21.979 -1.635 1.919 1.00 0.00 O ATOM 748 CB TYR A 50 21.575 -2.059 4.990 1.00 0.00 C ATOM 749 CG TYR A 50 22.188 -2.683 6.224 1.00 0.00 C ATOM 750 CD1 TYR A 50 23.567 -2.739 6.386 1.00 0.00 C ATOM 751 CD2 TYR A 50 21.389 -3.215 7.228 1.00 0.00 C ATOM 752 CE1 TYR A 50 24.131 -3.308 7.510 1.00 0.00 C ATOM 753 CE2 TYR A 50 21.944 -3.785 8.357 1.00 0.00 C ATOM 754 CZ TYR A 50 23.316 -3.830 8.493 1.00 0.00 C ATOM 755 OH TYR A 50 23.875 -4.397 9.616 1.00 0.00 O ATOM 0 H TYR A 50 23.508 -3.200 3.406 1.00 0.00 H new ATOM 0 HA TYR A 50 20.658 -3.736 4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.177 -1.202 4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.584 -1.680 5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 50 24.208 -2.330 5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 50 20.315 -3.182 7.124 1.00 0.00 H new ATOM 0 HE1 TYR A 50 25.205 -3.344 7.619 1.00 0.00 H new ATOM 0 HE2 TYR A 50 21.308 -4.193 9.129 1.00 0.00 H new ATOM 0 HH TYR A 50 24.651 -4.937 9.358 1.00 0.00 H new ATOM 765 N PHE A 51 19.840 -2.292 2.159 1.00 0.00 N ATOM 766 CA PHE A 51 19.378 -1.597 0.963 1.00 0.00 C ATOM 767 C PHE A 51 17.926 -1.154 1.118 1.00 0.00 C ATOM 768 O PHE A 51 17.092 -1.895 1.638 1.00 0.00 O ATOM 769 CB PHE A 51 19.519 -2.501 -0.264 1.00 0.00 C ATOM 770 CG PHE A 51 18.724 -2.031 -1.449 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.148 -0.946 -2.198 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.552 -2.675 -1.813 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.418 -0.511 -3.288 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.818 -2.245 -2.902 1.00 0.00 C ATOM 775 CZ PHE A 51 17.252 -1.163 -3.642 1.00 0.00 C ATOM 0 H PHE A 51 19.110 -2.798 2.661 1.00 0.00 H new ATOM 0 HA PHE A 51 19.997 -0.710 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.571 -2.560 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.202 -3.510 -0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.060 -0.434 -1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.208 -3.523 -1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.758 0.338 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.906 -2.755 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.682 -0.827 -4.495 1.00 0.00 H new ATOM 785 N ASP A 52 17.633 0.060 0.664 1.00 0.00 N ATOM 786 CA ASP A 52 16.282 0.603 0.751 1.00 0.00 C ATOM 787 C ASP A 52 15.352 -0.091 -0.239 1.00 0.00 C ATOM 788 O ASP A 52 15.584 -0.066 -1.448 1.00 0.00 O ATOM 789 CB ASP A 52 16.297 2.109 0.486 1.00 0.00 C ATOM 790 CG ASP A 52 17.223 2.487 -0.654 1.00 0.00 C ATOM 791 OD1 ASP A 52 16.817 2.331 -1.825 1.00 0.00 O ATOM 792 OD2 ASP A 52 18.352 2.940 -0.375 1.00 0.00 O ATOM 0 H ASP A 52 18.312 0.686 0.232 1.00 0.00 H new ATOM 0 HA ASP A 52 15.909 0.423 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.286 2.445 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.608 2.631 1.391 1.00 0.00 H new ATOM 797 N CYS A 53 14.299 -0.712 0.282 1.00 0.00 N ATOM 798 CA CYS A 53 13.334 -1.415 -0.555 1.00 0.00 C ATOM 799 C CYS A 53 11.978 -0.716 -0.527 1.00 0.00 C ATOM 800 O CYS A 53 11.611 -0.091 0.468 1.00 0.00 O ATOM 801 CB CYS A 53 13.183 -2.864 -0.088 1.00 0.00 C ATOM 802 SG CYS A 53 12.646 -3.035 1.644 1.00 0.00 S ATOM 0 H CYS A 53 14.092 -0.743 1.280 1.00 0.00 H new ATOM 0 HA CYS A 53 13.706 -1.407 -1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.463 -3.369 -0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 53 14.137 -3.376 -0.214 1.00 0.00 H new ATOM 807 N SER A 54 11.239 -0.826 -1.626 1.00 0.00 N ATOM 808 CA SER A 54 9.925 -0.202 -1.729 1.00 0.00 C ATOM 809 C SER A 54 9.991 1.271 -1.336 1.00 0.00 C ATOM 810 O SER A 54 9.243 1.729 -0.472 1.00 0.00 O ATOM 811 CB SER A 54 8.918 -0.934 -0.841 1.00 0.00 C ATOM 812 OG SER A 54 8.513 -2.158 -1.431 1.00 0.00 O ATOM 0 H SER A 54 11.528 -1.341 -2.458 1.00 0.00 H new ATOM 0 HA SER A 54 9.599 -0.269 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.362 -1.127 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.047 -0.301 -0.675 1.00 0.00 H new ATOM 0 HG SER A 54 7.871 -2.608 -0.843 1.00 0.00 H new ATOM 818 N LYS A 55 10.893 2.008 -1.975 1.00 0.00 N ATOM 819 CA LYS A 55 11.058 3.429 -1.695 1.00 0.00 C ATOM 820 C LYS A 55 11.824 3.642 -0.393 1.00 0.00 C ATOM 821 O LYS A 55 12.855 4.314 -0.371 1.00 0.00 O ATOM 822 CB LYS A 55 9.693 4.116 -1.614 1.00 0.00 C ATOM 823 CG LYS A 55 9.615 5.411 -2.404 1.00 0.00 C ATOM 824 CD LYS A 55 9.643 5.153 -3.901 1.00 0.00 C ATOM 825 CE LYS A 55 8.345 4.521 -4.381 1.00 0.00 C ATOM 826 NZ LYS A 55 7.781 5.238 -5.558 1.00 0.00 N ATOM 0 H LYS A 55 11.522 1.644 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 55 11.632 3.870 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.929 3.431 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.462 4.323 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.700 5.943 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.449 6.057 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.810 6.091 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.480 4.498 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.524 3.478 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.617 4.526 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.897 4.777 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.586 6.227 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.465 5.212 -6.341 1.00 0.00 H new ATOM 840 N SER A 56 11.314 3.063 0.689 1.00 0.00 N ATOM 841 CA SER A 56 11.950 3.191 1.995 1.00 0.00 C ATOM 842 C SER A 56 11.945 4.643 2.462 1.00 0.00 C ATOM 843 O SER A 56 12.957 5.342 2.412 1.00 0.00 O ATOM 844 CB SER A 56 13.386 2.666 1.941 1.00 0.00 C ATOM 845 OG SER A 56 13.928 2.529 3.243 1.00 0.00 O ATOM 0 H SER A 56 10.463 2.501 0.687 1.00 0.00 H new ATOM 0 HA SER A 56 11.380 2.596 2.708 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.405 1.702 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.004 3.347 1.356 1.00 0.00 H new ATOM 0 HG SER A 56 14.213 3.407 3.573 1.00 0.00 H new ATOM 851 N PRO A 57 10.776 5.110 2.927 1.00 0.00 N ATOM 852 CA PRO A 57 10.610 6.483 3.413 1.00 0.00 C ATOM 853 C PRO A 57 11.343 6.726 4.728 1.00 0.00 C ATOM 854 O PRO A 57 11.797 5.796 5.394 1.00 0.00 O ATOM 855 CB PRO A 57 9.097 6.608 3.613 1.00 0.00 C ATOM 856 CG PRO A 57 8.629 5.212 3.841 1.00 0.00 C ATOM 857 CD PRO A 57 9.529 4.334 3.016 1.00 0.00 C ATOM 0 HA PRO A 57 11.024 7.214 2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.862 7.248 4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.617 7.049 2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.688 4.948 4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.588 5.095 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.691 3.366 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.106 4.139 2.030 1.00 0.00 H new ATOM 865 N PRO A 58 11.461 8.006 5.112 1.00 0.00 N ATOM 866 CA PRO A 58 12.138 8.400 6.351 1.00 0.00 C ATOM 867 C PRO A 58 11.352 7.998 7.594 1.00 0.00 C ATOM 868 O PRO A 58 10.142 8.209 7.672 1.00 0.00 O ATOM 869 CB PRO A 58 12.219 9.925 6.241 1.00 0.00 C ATOM 870 CG PRO A 58 11.092 10.301 5.343 1.00 0.00 C ATOM 871 CD PRO A 58 10.944 9.166 4.367 1.00 0.00 C ATOM 0 HA PRO A 58 13.108 7.914 6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.121 10.398 7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.177 10.242 5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.174 10.450 5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.301 11.237 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.905 9.023 4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.513 9.344 3.455 1.00 0.00 H new ATOM 879 N GLY A 59 12.048 7.415 8.567 1.00 0.00 N ATOM 880 CA GLY A 59 11.398 6.993 9.793 1.00 0.00 C ATOM 881 C GLY A 59 11.378 5.485 9.949 1.00 0.00 C ATOM 882 O GLY A 59 11.159 4.970 11.045 1.00 0.00 O ATOM 0 H GLY A 59 13.050 7.228 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.913 7.437 10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.375 7.370 9.807 1.00 0.00 H new ATOM 886 N ALA A 60 11.606 4.775 8.849 1.00 0.00 N ATOM 887 CA ALA A 60 11.614 3.318 8.868 1.00 0.00 C ATOM 888 C ALA A 60 13.026 2.779 9.074 1.00 0.00 C ATOM 889 O ALA A 60 14.010 3.471 8.815 1.00 0.00 O ATOM 890 CB ALA A 60 11.020 2.770 7.579 1.00 0.00 C ATOM 0 H ALA A 60 11.788 5.186 7.933 1.00 0.00 H new ATOM 0 HA ALA A 60 11.001 2.987 9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.032 1.680 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.993 3.119 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.609 3.118 6.730 1.00 0.00 H new ATOM 896 N THR A 61 13.118 1.538 9.542 1.00 0.00 N ATOM 897 CA THR A 61 14.409 0.907 9.784 1.00 0.00 C ATOM 898 C THR A 61 14.471 -0.479 9.152 1.00 0.00 C ATOM 899 O THR A 61 13.450 -1.100 8.857 1.00 0.00 O ATOM 900 CB THR A 61 14.700 0.783 11.292 1.00 0.00 C ATOM 901 OG1 THR A 61 13.473 0.779 12.029 1.00 0.00 O ATOM 902 CG2 THR A 61 15.580 1.929 11.768 1.00 0.00 C ATOM 0 H THR A 61 12.314 0.950 9.761 1.00 0.00 H new ATOM 0 HA THR A 61 15.164 1.547 9.326 1.00 0.00 H new ATOM 0 HB THR A 61 15.228 -0.155 11.462 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.667 0.698 12.986 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.772 1.821 12.835 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.525 1.912 11.225 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.074 2.877 11.585 1.00 0.00 H new ATOM 910 N PRO A 62 15.698 -0.978 8.937 1.00 0.00 N ATOM 911 CA PRO A 62 15.922 -2.297 8.338 1.00 0.00 C ATOM 912 C PRO A 62 15.516 -3.433 9.269 1.00 0.00 C ATOM 913 O PRO A 62 14.967 -3.200 10.346 1.00 0.00 O ATOM 914 CB PRO A 62 17.432 -2.322 8.091 1.00 0.00 C ATOM 915 CG PRO A 62 17.995 -1.369 9.088 1.00 0.00 C ATOM 916 CD PRO A 62 16.960 -0.293 9.263 1.00 0.00 C ATOM 0 HA PRO A 62 15.326 -2.442 7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.839 -3.324 8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.672 -2.017 7.072 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.201 -1.870 10.034 1.00 0.00 H new ATOM 0 HG3 PRO A 62 18.938 -0.950 8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 62 16.954 0.097 10.281 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.142 0.552 8.599 1.00 0.00 H new ATOM 924 N ALA A 63 15.788 -4.664 8.848 1.00 0.00 N ATOM 925 CA ALA A 63 15.453 -5.837 9.646 1.00 0.00 C ATOM 926 C ALA A 63 16.712 -6.554 10.123 1.00 0.00 C ATOM 927 O ALA A 63 17.067 -7.627 9.633 1.00 0.00 O ATOM 928 CB ALA A 63 14.573 -6.786 8.847 1.00 0.00 C ATOM 0 H ALA A 63 16.240 -4.875 7.958 1.00 0.00 H new ATOM 0 HA ALA A 63 14.902 -5.502 10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.331 -7.657 9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.653 -6.276 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.104 -7.106 7.950 1.00 0.00 H new ATOM 934 N PRO A 64 17.404 -5.951 11.100 1.00 0.00 N ATOM 935 CA PRO A 64 18.634 -6.515 11.664 1.00 0.00 C ATOM 936 C PRO A 64 18.371 -7.769 12.490 1.00 0.00 C ATOM 937 O PRO A 64 17.234 -8.081 12.845 1.00 0.00 O ATOM 938 CB PRO A 64 19.165 -5.389 12.555 1.00 0.00 C ATOM 939 CG PRO A 64 17.960 -4.593 12.917 1.00 0.00 C ATOM 940 CD PRO A 64 17.039 -4.671 11.731 1.00 0.00 C ATOM 0 HA PRO A 64 19.332 -6.828 10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.659 -5.786 13.442 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.899 -4.779 12.028 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.481 -4.995 13.810 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.227 -3.559 13.136 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.992 -4.656 12.034 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.186 -3.831 11.052 1.00 0.00 H new ATOM 948 N PRO A 65 19.446 -8.507 12.806 1.00 0.00 N ATOM 949 CA PRO A 65 19.356 -9.739 13.595 1.00 0.00 C ATOM 950 C PRO A 65 18.991 -9.469 15.051 1.00 0.00 C ATOM 951 O PRO A 65 18.095 -10.104 15.605 1.00 0.00 O ATOM 952 CB PRO A 65 20.766 -10.327 13.497 1.00 0.00 C ATOM 953 CG PRO A 65 21.648 -9.155 13.238 1.00 0.00 C ATOM 954 CD PRO A 65 20.831 -8.195 12.417 1.00 0.00 C ATOM 0 HA PRO A 65 18.576 -10.404 13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 65 21.047 -10.838 14.418 1.00 0.00 H new ATOM 0 HB3 PRO A 65 20.834 -11.059 12.693 1.00 0.00 H new ATOM 0 HG2 PRO A 65 21.969 -8.694 14.172 1.00 0.00 H new ATOM 0 HG3 PRO A 65 22.550 -9.456 12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 65 21.087 -7.159 12.638 1.00 0.00 H new ATOM 0 HD3 PRO A 65 20.991 -8.342 11.349 1.00 0.00 H new ATOM 962 N GLY A 66 19.693 -8.522 15.667 1.00 0.00 N ATOM 963 CA GLY A 66 19.428 -8.185 17.053 1.00 0.00 C ATOM 964 C GLY A 66 19.285 -6.692 17.270 1.00 0.00 C ATOM 965 O GLY A 66 19.863 -6.135 18.202 1.00 0.00 O ATOM 0 H GLY A 66 20.440 -7.983 15.230 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.515 -8.685 17.377 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.238 -8.564 17.677 1.00 0.00 H new ATOM 969 N ALA A 67 18.513 -6.042 16.405 1.00 0.00 N ATOM 970 CA ALA A 67 18.295 -4.604 16.506 1.00 0.00 C ATOM 971 C ALA A 67 19.619 -3.853 16.598 1.00 0.00 C ATOM 972 O ALA A 67 20.112 -3.576 17.691 1.00 0.00 O ATOM 973 CB ALA A 67 17.422 -4.286 17.711 1.00 0.00 C ATOM 0 H ALA A 67 18.028 -6.488 15.627 1.00 0.00 H new ATOM 0 HA ALA A 67 17.782 -4.275 15.602 1.00 0.00 H new ATOM 0 HB1 ALA A 67 17.267 -3.209 17.774 1.00 0.00 H new ATOM 0 HB2 ALA A 67 16.459 -4.785 17.604 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.913 -4.636 18.619 1.00 0.00 H new ATOM 979 N ALA A 68 20.191 -3.528 15.443 1.00 0.00 N ATOM 980 CA ALA A 68 21.457 -2.808 15.393 1.00 0.00 C ATOM 981 C ALA A 68 22.508 -3.485 16.267 1.00 0.00 C ATOM 982 O ALA A 68 22.864 -2.999 17.341 1.00 0.00 O ATOM 983 CB ALA A 68 21.260 -1.363 15.825 1.00 0.00 C ATOM 0 H ALA A 68 19.797 -3.752 14.529 1.00 0.00 H new ATOM 0 HA ALA A 68 21.814 -2.822 14.363 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.214 -0.837 15.783 1.00 0.00 H new ATOM 0 HB2 ALA A 68 20.548 -0.877 15.157 1.00 0.00 H new ATOM 0 HB3 ALA A 68 20.876 -1.337 16.845 1.00 0.00 H new ATOM 989 N PRO A 69 23.017 -4.634 15.799 1.00 0.00 N ATOM 990 CA PRO A 69 24.034 -5.402 16.523 1.00 0.00 C ATOM 991 C PRO A 69 25.387 -4.698 16.545 1.00 0.00 C ATOM 992 O PRO A 69 25.620 -3.728 15.823 1.00 0.00 O ATOM 993 CB PRO A 69 24.124 -6.708 15.730 1.00 0.00 C ATOM 994 CG PRO A 69 23.676 -6.348 14.356 1.00 0.00 C ATOM 995 CD PRO A 69 22.640 -5.272 14.527 1.00 0.00 C ATOM 0 HA PRO A 69 23.769 -5.541 17.571 1.00 0.00 H new ATOM 0 HB2 PRO A 69 25.142 -7.099 15.725 1.00 0.00 H new ATOM 0 HB3 PRO A 69 23.488 -7.480 16.164 1.00 0.00 H new ATOM 0 HG2 PRO A 69 24.512 -5.993 13.754 1.00 0.00 H new ATOM 0 HG3 PRO A 69 23.258 -7.214 13.842 1.00 0.00 H new ATOM 0 HD2 PRO A 69 22.658 -4.562 13.700 1.00 0.00 H new ATOM 0 HD3 PRO A 69 21.633 -5.687 14.569 1.00 0.00 H new ATOM 1003 N PRO A 70 26.301 -5.195 17.391 1.00 0.00 N ATOM 1004 CA PRO A 70 27.646 -4.629 17.525 1.00 0.00 C ATOM 1005 C PRO A 70 28.507 -4.881 16.292 1.00 0.00 C ATOM 1006 O PRO A 70 28.164 -5.677 15.418 1.00 0.00 O ATOM 1007 CB PRO A 70 28.221 -5.365 18.738 1.00 0.00 C ATOM 1008 CG PRO A 70 27.474 -6.653 18.789 1.00 0.00 C ATOM 1009 CD PRO A 70 26.092 -6.350 18.281 1.00 0.00 C ATOM 0 HA PRO A 70 27.622 -3.545 17.638 1.00 0.00 H new ATOM 0 HB2 PRO A 70 29.292 -5.533 18.628 1.00 0.00 H new ATOM 0 HB3 PRO A 70 28.081 -4.790 19.653 1.00 0.00 H new ATOM 0 HG2 PRO A 70 27.959 -7.410 18.173 1.00 0.00 H new ATOM 0 HG3 PRO A 70 27.439 -7.044 19.806 1.00 0.00 H new ATOM 0 HD2 PRO A 70 25.666 -7.198 17.745 1.00 0.00 H new ATOM 0 HD3 PRO A 70 25.408 -6.111 19.095 1.00 0.00 H new ATOM 1017 N PRO A 71 29.653 -4.187 16.218 1.00 0.00 N ATOM 1018 CA PRO A 71 30.587 -4.320 15.096 1.00 0.00 C ATOM 1019 C PRO A 71 31.291 -5.672 15.084 1.00 0.00 C ATOM 1020 O PRO A 71 31.350 -6.343 14.054 1.00 0.00 O ATOM 1021 CB PRO A 71 31.595 -3.194 15.339 1.00 0.00 C ATOM 1022 CG PRO A 71 31.545 -2.951 16.808 1.00 0.00 C ATOM 1023 CD PRO A 71 30.125 -3.221 17.223 1.00 0.00 C ATOM 0 HA PRO A 71 30.079 -4.256 14.134 1.00 0.00 H new ATOM 0 HB2 PRO A 71 32.596 -3.483 15.019 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.329 -2.297 14.780 1.00 0.00 H new ATOM 0 HG2 PRO A 71 32.237 -3.607 17.336 1.00 0.00 H new ATOM 0 HG3 PRO A 71 31.833 -1.927 17.044 1.00 0.00 H new ATOM 0 HD2 PRO A 71 30.072 -3.632 18.231 1.00 0.00 H new ATOM 0 HD3 PRO A 71 29.525 -2.311 17.218 1.00 0.00 H new ATOM 1031 N ALA A 72 31.822 -6.068 16.236 1.00 0.00 N ATOM 1032 CA ALA A 72 32.520 -7.342 16.358 1.00 0.00 C ATOM 1033 C ALA A 72 33.667 -7.437 15.359 1.00 0.00 C ATOM 1034 O ALA A 72 34.088 -8.532 14.985 1.00 0.00 O ATOM 1035 CB ALA A 72 31.548 -8.496 16.162 1.00 0.00 C ATOM 0 H ALA A 72 31.782 -5.525 17.098 1.00 0.00 H new ATOM 0 HA ALA A 72 32.942 -7.403 17.361 1.00 0.00 H new ATOM 0 HB1 ALA A 72 32.082 -9.442 16.256 1.00 0.00 H new ATOM 0 HB2 ALA A 72 30.765 -8.445 16.919 1.00 0.00 H new ATOM 0 HB3 ALA A 72 31.099 -8.429 15.171 1.00 0.00 H new ATOM 1041 N ALA A 73 34.169 -6.284 14.929 1.00 0.00 N ATOM 1042 CA ALA A 73 35.269 -6.238 13.974 1.00 0.00 C ATOM 1043 C ALA A 73 35.681 -4.800 13.679 1.00 0.00 C ATOM 1044 O ALA A 73 36.706 -4.325 14.165 1.00 0.00 O ATOM 1045 CB ALA A 73 34.882 -6.953 12.688 1.00 0.00 C ATOM 0 H ALA A 73 33.831 -5.369 15.227 1.00 0.00 H new ATOM 0 HA ALA A 73 36.124 -6.749 14.418 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.713 -6.911 11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 73 34.645 -7.994 12.908 1.00 0.00 H new ATOM 0 HB3 ALA A 73 34.010 -6.467 12.250 1.00 0.00 H new ATOM 1051 N GLY A 74 34.873 -4.111 12.878 1.00 0.00 N ATOM 1052 CA GLY A 74 35.171 -2.734 12.531 1.00 0.00 C ATOM 1053 C GLY A 74 34.365 -2.248 11.343 1.00 0.00 C ATOM 1054 O GLY A 74 33.228 -1.802 11.496 1.00 0.00 O ATOM 0 H GLY A 74 34.018 -4.482 12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 74 34.968 -2.094 13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 74 36.234 -2.641 12.308 1.00 0.00 H new ATOM 1058 N GLY A 75 34.956 -2.331 10.155 1.00 0.00 N ATOM 1059 CA GLY A 75 34.271 -1.891 8.954 1.00 0.00 C ATOM 1060 C GLY A 75 35.211 -1.735 7.775 1.00 0.00 C ATOM 1061 O GLY A 75 35.808 -0.675 7.584 1.00 0.00 O ATOM 0 H GLY A 75 35.897 -2.695 10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.491 -2.609 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.777 -0.939 9.149 1.00 0.00 H new ATOM 1065 N SER A 76 35.345 -2.793 6.982 1.00 0.00 N ATOM 1066 CA SER A 76 36.224 -2.770 5.819 1.00 0.00 C ATOM 1067 C SER A 76 37.622 -2.297 6.203 1.00 0.00 C ATOM 1068 O SER A 76 38.062 -1.209 5.830 1.00 0.00 O ATOM 1069 CB SER A 76 35.645 -1.860 4.734 1.00 0.00 C ATOM 1070 OG SER A 76 34.318 -2.235 4.408 1.00 0.00 O ATOM 0 H SER A 76 34.856 -3.677 7.124 1.00 0.00 H new ATOM 0 HA SER A 76 36.298 -3.786 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 76 35.660 -0.825 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 76 36.270 -1.909 3.842 1.00 0.00 H new ATOM 0 HG SER A 76 33.970 -1.637 3.714 1.00 0.00 H new ATOM 1076 N PRO A 77 38.339 -3.133 6.968 1.00 0.00 N ATOM 1077 CA PRO A 77 39.699 -2.823 7.421 1.00 0.00 C ATOM 1078 C PRO A 77 40.709 -2.845 6.278 1.00 0.00 C ATOM 1079 O PRO A 77 40.815 -3.832 5.550 1.00 0.00 O ATOM 1080 CB PRO A 77 40.002 -3.938 8.424 1.00 0.00 C ATOM 1081 CG PRO A 77 39.128 -5.071 8.008 1.00 0.00 C ATOM 1082 CD PRO A 77 37.878 -4.446 7.451 1.00 0.00 C ATOM 0 HA PRO A 77 39.770 -1.821 7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 77 41.055 -4.220 8.397 1.00 0.00 H new ATOM 0 HB3 PRO A 77 39.783 -3.623 9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 77 39.622 -5.690 7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 77 38.897 -5.717 8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 77 37.454 -5.045 6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 77 37.105 -4.345 8.213 1.00 0.00 H new ATOM 1090 N SER A 78 41.449 -1.752 6.127 1.00 0.00 N ATOM 1091 CA SER A 78 42.449 -1.645 5.071 1.00 0.00 C ATOM 1092 C SER A 78 43.835 -1.400 5.659 1.00 0.00 C ATOM 1093 O SER A 78 44.418 -0.325 5.513 1.00 0.00 O ATOM 1094 CB SER A 78 42.084 -0.515 4.107 1.00 0.00 C ATOM 1095 OG SER A 78 42.167 0.747 4.746 1.00 0.00 O ATOM 0 H SER A 78 41.375 -0.927 6.723 1.00 0.00 H new ATOM 0 HA SER A 78 42.467 -2.588 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 78 42.754 -0.536 3.247 1.00 0.00 H new ATOM 0 HB3 SER A 78 41.074 -0.668 3.728 1.00 0.00 H new ATOM 0 HG SER A 78 43.062 0.862 5.128 1.00 0.00 H new ATOM 1101 N PRO A 79 44.378 -2.421 6.339 1.00 0.00 N ATOM 1102 CA PRO A 79 45.702 -2.342 6.962 1.00 0.00 C ATOM 1103 C PRO A 79 46.826 -2.303 5.932 1.00 0.00 C ATOM 1104 O PRO A 79 46.622 -2.558 4.745 1.00 0.00 O ATOM 1105 CB PRO A 79 45.781 -3.626 7.792 1.00 0.00 C ATOM 1106 CG PRO A 79 44.852 -4.572 7.114 1.00 0.00 C ATOM 1107 CD PRO A 79 43.740 -3.730 6.552 1.00 0.00 C ATOM 0 HA PRO A 79 45.823 -1.431 7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 79 46.797 -4.019 7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 79 45.482 -3.449 8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 79 45.363 -5.121 6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 79 44.466 -5.310 7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 79 43.353 -4.145 5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 79 42.900 -3.660 7.243 1.00 0.00 H new ATOM 1115 N PRO A 80 48.042 -1.977 6.394 1.00 0.00 N ATOM 1116 CA PRO A 80 49.223 -1.898 5.529 1.00 0.00 C ATOM 1117 C PRO A 80 49.671 -3.269 5.034 1.00 0.00 C ATOM 1118 O PRO A 80 49.053 -4.286 5.349 1.00 0.00 O ATOM 1119 CB PRO A 80 50.289 -1.284 6.439 1.00 0.00 C ATOM 1120 CG PRO A 80 49.862 -1.644 7.820 1.00 0.00 C ATOM 1121 CD PRO A 80 48.359 -1.660 7.797 1.00 0.00 C ATOM 0 HA PRO A 80 49.029 -1.319 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 80 51.278 -1.682 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 80 50.344 -0.203 6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 80 50.258 -2.617 8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 80 50.234 -0.920 8.545 1.00 0.00 H new ATOM 0 HD2 PRO A 80 47.955 -2.408 8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 80 47.942 -0.698 8.096 1.00 0.00 H new ATOM 1129 N ALA A 81 50.749 -3.290 4.258 1.00 0.00 N ATOM 1130 CA ALA A 81 51.281 -4.536 3.722 1.00 0.00 C ATOM 1131 C ALA A 81 52.749 -4.387 3.337 1.00 0.00 C ATOM 1132 O ALA A 81 53.238 -5.070 2.437 1.00 0.00 O ATOM 1133 CB ALA A 81 50.463 -4.986 2.520 1.00 0.00 C ATOM 0 H ALA A 81 51.271 -2.457 3.986 1.00 0.00 H new ATOM 0 HA ALA A 81 51.212 -5.295 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 81 50.872 -5.918 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 81 49.428 -5.142 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 81 50.503 -4.220 1.745 1.00 0.00 H new ATOM 1139 N ASP A 82 53.447 -3.489 4.024 1.00 0.00 N ATOM 1140 CA ASP A 82 54.860 -3.250 3.755 1.00 0.00 C ATOM 1141 C ASP A 82 55.455 -2.292 4.783 1.00 0.00 C ATOM 1142 O ASP A 82 56.259 -1.424 4.446 1.00 0.00 O ATOM 1143 CB ASP A 82 55.044 -2.684 2.346 1.00 0.00 C ATOM 1144 CG ASP A 82 56.377 -3.070 1.737 1.00 0.00 C ATOM 1145 OD1 ASP A 82 57.162 -3.763 2.417 1.00 0.00 O ATOM 1146 OD2 ASP A 82 56.637 -2.679 0.579 1.00 0.00 O ATOM 0 H ASP A 82 53.057 -2.915 4.771 1.00 0.00 H new ATOM 0 HA ASP A 82 55.384 -4.203 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 82 54.238 -3.042 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 82 54.965 -1.597 2.381 1.00 0.00 H new ATOM 1151 N GLY A 83 55.052 -2.457 6.040 1.00 0.00 N ATOM 1152 CA GLY A 83 55.554 -1.599 7.098 1.00 0.00 C ATOM 1153 C GLY A 83 55.102 -0.161 6.942 1.00 0.00 C ATOM 1154 O GLY A 83 53.952 0.170 7.228 1.00 0.00 O ATOM 0 H GLY A 83 54.388 -3.169 6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.216 -1.980 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 83 56.643 -1.635 7.105 1.00 0.00 H new ATOM 1158 N GLY A 84 56.010 0.698 6.489 1.00 0.00 N ATOM 1159 CA GLY A 84 55.679 2.099 6.306 1.00 0.00 C ATOM 1160 C GLY A 84 55.836 2.904 7.581 1.00 0.00 C ATOM 1161 O GLY A 84 55.103 2.697 8.548 1.00 0.00 O ATOM 0 H GLY A 84 56.969 0.449 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 84 56.319 2.522 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 84 54.652 2.183 5.951 1.00 0.00 H new ATOM 1165 N SER A 85 56.796 3.823 7.584 1.00 0.00 N ATOM 1166 CA SER A 85 57.051 4.658 8.752 1.00 0.00 C ATOM 1167 C SER A 85 57.921 5.856 8.385 1.00 0.00 C ATOM 1168 O SER A 85 59.078 5.963 8.791 1.00 0.00 O ATOM 1169 CB SER A 85 57.729 3.839 9.852 1.00 0.00 C ATOM 1170 OG SER A 85 58.901 3.206 9.368 1.00 0.00 O ATOM 0 H SER A 85 57.410 4.008 6.791 1.00 0.00 H new ATOM 0 HA SER A 85 56.093 5.026 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 85 57.982 4.489 10.690 1.00 0.00 H new ATOM 0 HB3 SER A 85 57.036 3.088 10.230 1.00 0.00 H new ATOM 0 HG SER A 85 59.527 3.884 9.038 1.00 0.00 H new ATOM 1176 N PRO A 86 57.353 6.779 7.596 1.00 0.00 N ATOM 1177 CA PRO A 86 58.057 7.987 7.155 1.00 0.00 C ATOM 1178 C PRO A 86 58.296 8.968 8.298 1.00 0.00 C ATOM 1179 O PRO A 86 57.735 8.839 9.386 1.00 0.00 O ATOM 1180 CB PRO A 86 57.108 8.594 6.119 1.00 0.00 C ATOM 1181 CG PRO A 86 55.759 8.089 6.500 1.00 0.00 C ATOM 1182 CD PRO A 86 55.977 6.717 7.074 1.00 0.00 C ATOM 0 HA PRO A 86 59.048 7.760 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 86 57.143 9.683 6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 86 57.375 8.286 5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 86 55.288 8.747 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 86 55.098 8.049 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 86 55.258 6.492 7.862 1.00 0.00 H new ATOM 0 HD3 PRO A 86 55.870 5.942 6.315 1.00 0.00 H new ATOM 1190 N PRO A 87 59.149 9.973 8.048 1.00 0.00 N ATOM 1191 CA PRO A 87 59.480 10.996 9.044 1.00 0.00 C ATOM 1192 C PRO A 87 58.309 11.930 9.327 1.00 0.00 C ATOM 1193 O PRO A 87 57.308 11.946 8.609 1.00 0.00 O ATOM 1194 CB PRO A 87 60.632 11.765 8.392 1.00 0.00 C ATOM 1195 CG PRO A 87 60.443 11.563 6.928 1.00 0.00 C ATOM 1196 CD PRO A 87 59.854 10.188 6.773 1.00 0.00 C ATOM 0 HA PRO A 87 59.734 10.558 10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 87 60.599 12.823 8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 87 61.599 11.385 8.722 1.00 0.00 H new ATOM 0 HG2 PRO A 87 59.780 12.321 6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 87 61.392 11.643 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.173 10.136 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 87 60.626 9.436 6.609 1.00 0.00 H new ATOM 1204 N PRO A 88 58.433 12.729 10.397 1.00 0.00 N ATOM 1205 CA PRO A 88 57.394 13.682 10.799 1.00 0.00 C ATOM 1206 C PRO A 88 57.267 14.846 9.823 1.00 0.00 C ATOM 1207 O PRO A 88 58.114 15.055 8.954 1.00 0.00 O ATOM 1208 CB PRO A 88 57.877 14.179 12.164 1.00 0.00 C ATOM 1209 CG PRO A 88 59.355 13.988 12.135 1.00 0.00 C ATOM 1210 CD PRO A 88 59.598 12.764 11.297 1.00 0.00 C ATOM 0 HA PRO A 88 56.406 13.222 10.823 1.00 0.00 H new ATOM 0 HB2 PRO A 88 57.616 15.226 12.319 1.00 0.00 H new ATOM 0 HB3 PRO A 88 57.420 13.613 12.976 1.00 0.00 H new ATOM 0 HG2 PRO A 88 59.853 14.859 11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 88 59.751 13.857 13.142 1.00 0.00 H new ATOM 0 HD2 PRO A 88 60.533 12.837 10.741 1.00 0.00 H new ATOM 0 HD3 PRO A 88 59.660 11.864 11.909 1.00 0.00 H new ATOM 1218 N PRO A 89 56.183 15.624 9.967 1.00 0.00 N ATOM 1219 CA PRO A 89 55.920 16.782 9.107 1.00 0.00 C ATOM 1220 C PRO A 89 56.896 17.926 9.360 1.00 0.00 C ATOM 1221 O PRO A 89 57.056 18.814 8.524 1.00 0.00 O ATOM 1222 CB PRO A 89 54.499 17.196 9.495 1.00 0.00 C ATOM 1223 CG PRO A 89 54.327 16.700 10.889 1.00 0.00 C ATOM 1224 CD PRO A 89 55.132 15.434 10.981 1.00 0.00 C ATOM 0 HA PRO A 89 56.035 16.539 8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 89 54.373 18.277 9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 89 53.761 16.756 8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 89 54.676 17.438 11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 89 53.276 16.511 11.109 1.00 0.00 H new ATOM 0 HD2 PRO A 89 55.554 15.298 11.977 1.00 0.00 H new ATOM 0 HD3 PRO A 89 54.524 14.555 10.769 1.00 0.00 H new ATOM 1232 N ALA A 90 57.547 17.897 10.519 1.00 0.00 N ATOM 1233 CA ALA A 90 58.509 18.930 10.880 1.00 0.00 C ATOM 1234 C ALA A 90 57.901 20.321 10.737 1.00 0.00 C ATOM 1235 O ALA A 90 58.498 21.211 10.130 1.00 0.00 O ATOM 1236 CB ALA A 90 59.761 18.809 10.024 1.00 0.00 C ATOM 0 H ALA A 90 57.425 17.169 11.223 1.00 0.00 H new ATOM 0 HA ALA A 90 58.782 18.787 11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.471 19.587 10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 90 60.215 17.830 10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 90 59.496 18.922 8.973 1.00 0.00 H new ATOM 1242 N ASP A 91 56.710 20.501 11.298 1.00 0.00 N ATOM 1243 CA ASP A 91 56.021 21.785 11.233 1.00 0.00 C ATOM 1244 C ASP A 91 55.559 22.082 9.810 1.00 0.00 C ATOM 1245 O ASP A 91 54.377 21.957 9.491 1.00 0.00 O ATOM 1246 CB ASP A 91 56.936 22.905 11.731 1.00 0.00 C ATOM 1247 CG ASP A 91 56.432 23.538 13.013 1.00 0.00 C ATOM 1248 OD1 ASP A 91 55.211 23.773 13.118 1.00 0.00 O ATOM 1249 OD2 ASP A 91 57.260 23.799 13.911 1.00 0.00 O ATOM 0 H ASP A 91 56.202 19.775 11.803 1.00 0.00 H new ATOM 0 HA ASP A 91 55.143 21.732 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 91 57.937 22.506 11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 91 57.021 23.671 10.960 1.00 0.00 H new ATOM 1254 N GLY A 92 56.500 22.478 8.958 1.00 0.00 N ATOM 1255 CA GLY A 92 56.170 22.789 7.580 1.00 0.00 C ATOM 1256 C GLY A 92 56.796 24.087 7.112 1.00 0.00 C ATOM 1257 O GLY A 92 57.596 24.691 7.825 1.00 0.00 O ATOM 0 H GLY A 92 57.485 22.589 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 92 56.505 21.975 6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 92 55.087 22.853 7.475 1.00 0.00 H new ATOM 1261 N GLY A 93 56.432 24.518 5.908 1.00 0.00 N ATOM 1262 CA GLY A 93 56.975 25.750 5.365 1.00 0.00 C ATOM 1263 C GLY A 93 57.189 25.679 3.866 1.00 0.00 C ATOM 1264 O GLY A 93 58.191 25.138 3.400 1.00 0.00 O ATOM 0 H GLY A 93 55.771 24.036 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 93 56.298 26.573 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 93 57.924 25.972 5.854 1.00 0.00 H new ATOM 1268 N SER A 94 56.242 26.224 3.109 1.00 0.00 N ATOM 1269 CA SER A 94 56.328 26.216 1.653 1.00 0.00 C ATOM 1270 C SER A 94 56.538 24.798 1.130 1.00 0.00 C ATOM 1271 O SER A 94 57.663 24.348 0.916 1.00 0.00 O ATOM 1272 CB SER A 94 57.471 27.119 1.183 1.00 0.00 C ATOM 1273 OG SER A 94 57.468 27.252 -0.227 1.00 0.00 O ATOM 0 H SER A 94 55.406 26.677 3.480 1.00 0.00 H new ATOM 0 HA SER A 94 55.387 26.597 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 94 57.376 28.102 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 94 58.424 26.704 1.510 1.00 0.00 H new ATOM 0 HG SER A 94 58.206 27.835 -0.502 1.00 0.00 H new ATOM 1279 N PRO A 95 55.427 24.076 0.919 1.00 0.00 N ATOM 1280 CA PRO A 95 54.082 24.601 1.171 1.00 0.00 C ATOM 1281 C PRO A 95 53.799 24.782 2.659 1.00 0.00 C ATOM 1282 O PRO A 95 54.477 24.217 3.517 1.00 0.00 O ATOM 1283 CB PRO A 95 53.165 23.527 0.579 1.00 0.00 C ATOM 1284 CG PRO A 95 53.969 22.274 0.628 1.00 0.00 C ATOM 1285 CD PRO A 95 55.399 22.691 0.419 1.00 0.00 C ATOM 0 HA PRO A 95 53.942 25.589 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 95 52.245 23.430 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 95 52.876 23.772 -0.443 1.00 0.00 H new ATOM 0 HG2 PRO A 95 53.846 21.769 1.586 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.649 21.575 -0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 95 56.089 22.051 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 95 55.684 22.637 -0.632 1.00 0.00 H new ATOM 1293 N PRO A 96 52.775 25.588 2.973 1.00 0.00 N ATOM 1294 CA PRO A 96 52.379 25.861 4.358 1.00 0.00 C ATOM 1295 C PRO A 96 51.757 24.644 5.034 1.00 0.00 C ATOM 1296 O PRO A 96 51.385 23.676 4.371 1.00 0.00 O ATOM 1297 CB PRO A 96 51.345 26.981 4.217 1.00 0.00 C ATOM 1298 CG PRO A 96 50.792 26.816 2.844 1.00 0.00 C ATOM 1299 CD PRO A 96 51.923 26.295 2.002 1.00 0.00 C ATOM 0 HA PRO A 96 53.233 26.126 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 96 50.563 26.895 4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 96 51.804 27.962 4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 96 49.952 26.121 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 96 50.421 27.765 2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 96 51.566 25.626 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 96 52.462 27.104 1.509 1.00 0.00 H new ATOM 1307 N VAL A 97 51.646 24.700 6.357 1.00 0.00 N ATOM 1308 CA VAL A 97 51.067 23.602 7.123 1.00 0.00 C ATOM 1309 C VAL A 97 49.554 23.548 6.947 1.00 0.00 C ATOM 1310 O VAL A 97 48.880 24.578 6.957 1.00 0.00 O ATOM 1311 CB VAL A 97 51.394 23.731 8.623 1.00 0.00 C ATOM 1312 CG1 VAL A 97 50.725 24.963 9.212 1.00 0.00 C ATOM 1313 CG2 VAL A 97 50.970 22.475 9.369 1.00 0.00 C ATOM 0 H VAL A 97 51.949 25.494 6.921 1.00 0.00 H new ATOM 0 HA VAL A 97 51.508 22.681 6.740 1.00 0.00 H new ATOM 0 HB VAL A 97 52.472 23.846 8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 97 50.968 25.037 10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 97 51.082 25.853 8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 97 49.645 24.883 9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 97 51.208 22.583 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 97 49.896 22.327 9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 97 51.501 21.614 8.963 1.00 0.00 H new ATOM 1323 N ASP A 98 49.026 22.339 6.786 1.00 0.00 N ATOM 1324 CA ASP A 98 47.591 22.149 6.609 1.00 0.00 C ATOM 1325 C ASP A 98 47.080 21.015 7.493 1.00 0.00 C ATOM 1326 O ASP A 98 46.285 21.236 8.405 1.00 0.00 O ATOM 1327 CB ASP A 98 47.271 21.854 5.143 1.00 0.00 C ATOM 1328 CG ASP A 98 45.892 22.339 4.742 1.00 0.00 C ATOM 1329 OD1 ASP A 98 44.923 21.566 4.895 1.00 0.00 O ATOM 1330 OD2 ASP A 98 45.781 23.492 4.275 1.00 0.00 O ATOM 0 H ASP A 98 49.570 21.476 6.774 1.00 0.00 H new ATOM 0 HA ASP A 98 47.088 23.070 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 98 48.019 22.329 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 98 47.340 20.780 4.968 1.00 0.00 H new ATOM 1335 N GLY A 99 47.542 19.800 7.214 1.00 0.00 N ATOM 1336 CA GLY A 99 47.120 18.650 7.991 1.00 0.00 C ATOM 1337 C GLY A 99 48.287 17.790 8.435 1.00 0.00 C ATOM 1338 O GLY A 99 48.887 17.081 7.629 1.00 0.00 O ATOM 0 H GLY A 99 48.201 19.592 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 99 46.569 18.990 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 99 46.433 18.047 7.397 1.00 0.00 H new ATOM 1342 N GLY A 100 48.612 17.855 9.723 1.00 0.00 N ATOM 1343 CA GLY A 100 49.715 17.073 10.250 1.00 0.00 C ATOM 1344 C GLY A 100 49.699 16.994 11.764 1.00 0.00 C ATOM 1345 O GLY A 100 48.672 16.679 12.365 1.00 0.00 O ATOM 0 H GLY A 100 48.131 18.435 10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 100 49.672 16.065 9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 100 50.657 17.512 9.922 1.00 0.00 H new ATOM 1349 N SER A 101 50.840 17.280 12.382 1.00 0.00 N ATOM 1350 CA SER A 101 50.955 17.235 13.835 1.00 0.00 C ATOM 1351 C SER A 101 50.719 15.821 14.355 1.00 0.00 C ATOM 1352 O SER A 101 50.136 14.973 13.679 1.00 0.00 O ATOM 1353 CB SER A 101 49.957 18.200 14.477 1.00 0.00 C ATOM 1354 OG SER A 101 48.850 17.502 15.020 1.00 0.00 O ATOM 0 H SER A 101 51.698 17.545 11.899 1.00 0.00 H new ATOM 0 HA SER A 101 51.967 17.538 14.104 1.00 0.00 H new ATOM 0 HB2 SER A 101 50.452 18.771 15.263 1.00 0.00 H new ATOM 0 HB3 SER A 101 49.610 18.917 13.733 1.00 0.00 H new ATOM 0 HG SER A 101 48.381 17.025 14.304 1.00 0.00 H new ATOM 1360 N PRO A 102 51.181 15.559 15.586 1.00 0.00 N ATOM 1361 CA PRO A 102 51.032 14.248 16.226 1.00 0.00 C ATOM 1362 C PRO A 102 49.585 13.947 16.599 1.00 0.00 C ATOM 1363 O PRO A 102 48.715 14.817 16.562 1.00 0.00 O ATOM 1364 CB PRO A 102 51.895 14.367 17.484 1.00 0.00 C ATOM 1365 CG PRO A 102 51.932 15.826 17.782 1.00 0.00 C ATOM 1366 CD PRO A 102 51.886 16.522 16.449 1.00 0.00 C ATOM 0 HA PRO A 102 51.330 13.435 15.564 1.00 0.00 H new ATOM 0 HB2 PRO A 102 51.466 13.804 18.313 1.00 0.00 H new ATOM 0 HB3 PRO A 102 52.897 13.972 17.316 1.00 0.00 H new ATOM 0 HG2 PRO A 102 51.087 16.119 18.405 1.00 0.00 H new ATOM 0 HG3 PRO A 102 52.837 16.090 18.329 1.00 0.00 H new ATOM 0 HD2 PRO A 102 51.354 17.472 16.510 1.00 0.00 H new ATOM 0 HD3 PRO A 102 52.886 16.740 16.075 1.00 0.00 H new ATOM 1374 N PRO A 103 49.318 12.685 16.969 1.00 0.00 N ATOM 1375 CA PRO A 103 50.345 11.641 17.017 1.00 0.00 C ATOM 1376 C PRO A 103 50.825 11.236 15.627 1.00 0.00 C ATOM 1377 O PRO A 103 50.225 11.585 14.611 1.00 0.00 O ATOM 1378 CB PRO A 103 49.631 10.471 17.697 1.00 0.00 C ATOM 1379 CG PRO A 103 48.186 10.691 17.409 1.00 0.00 C ATOM 1380 CD PRO A 103 47.993 12.181 17.369 1.00 0.00 C ATOM 0 HA PRO A 103 51.240 11.975 17.542 1.00 0.00 H new ATOM 0 HB2 PRO A 103 49.973 9.515 17.301 1.00 0.00 H new ATOM 0 HB3 PRO A 103 49.824 10.459 18.770 1.00 0.00 H new ATOM 0 HG2 PRO A 103 47.904 10.236 16.460 1.00 0.00 H new ATOM 0 HG3 PRO A 103 47.561 10.237 18.179 1.00 0.00 H new ATOM 0 HD2 PRO A 103 47.221 12.467 16.654 1.00 0.00 H new ATOM 0 HD3 PRO A 103 47.690 12.573 18.340 1.00 0.00 H new ATOM 1388 N PRO A 104 51.933 10.481 15.579 1.00 0.00 N ATOM 1389 CA PRO A 104 52.517 10.011 14.320 1.00 0.00 C ATOM 1390 C PRO A 104 51.651 8.958 13.636 1.00 0.00 C ATOM 1391 O PRO A 104 50.713 8.416 14.221 1.00 0.00 O ATOM 1392 CB PRO A 104 53.854 9.405 14.753 1.00 0.00 C ATOM 1393 CG PRO A 104 53.649 9.013 16.176 1.00 0.00 C ATOM 1394 CD PRO A 104 52.700 10.027 16.752 1.00 0.00 C ATOM 0 HA PRO A 104 52.614 10.815 13.591 1.00 0.00 H new ATOM 0 HB2 PRO A 104 54.116 8.543 14.139 1.00 0.00 H new ATOM 0 HB3 PRO A 104 54.666 10.125 14.654 1.00 0.00 H new ATOM 0 HG2 PRO A 104 53.236 8.007 16.248 1.00 0.00 H new ATOM 0 HG3 PRO A 104 54.594 9.009 16.720 1.00 0.00 H new ATOM 0 HD2 PRO A 104 52.052 9.586 17.510 1.00 0.00 H new ATOM 0 HD3 PRO A 104 53.232 10.851 17.228 1.00 0.00 H new ATOM 1402 N PRO A 105 51.972 8.659 12.368 1.00 0.00 N ATOM 1403 CA PRO A 105 51.236 7.668 11.578 1.00 0.00 C ATOM 1404 C PRO A 105 51.465 6.245 12.075 1.00 0.00 C ATOM 1405 O PRO A 105 50.541 5.432 12.109 1.00 0.00 O ATOM 1406 CB PRO A 105 51.808 7.842 10.169 1.00 0.00 C ATOM 1407 CG PRO A 105 53.171 8.404 10.381 1.00 0.00 C ATOM 1408 CD PRO A 105 53.078 9.266 11.609 1.00 0.00 C ATOM 0 HA PRO A 105 50.158 7.819 11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 105 51.850 6.891 9.638 1.00 0.00 H new ATOM 0 HB3 PRO A 105 51.191 8.513 9.571 1.00 0.00 H new ATOM 0 HG2 PRO A 105 53.904 7.609 10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 105 53.491 8.988 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 105 54.008 9.257 12.178 1.00 0.00 H new ATOM 0 HD3 PRO A 105 52.869 10.305 11.356 1.00 0.00 H new ATOM 1416 N SER A 106 52.703 5.949 12.459 1.00 0.00 N ATOM 1417 CA SER A 106 53.054 4.622 12.951 1.00 0.00 C ATOM 1418 C SER A 106 54.080 4.714 14.077 1.00 0.00 C ATOM 1419 O SER A 106 54.690 5.762 14.294 1.00 0.00 O ATOM 1420 CB SER A 106 53.606 3.763 11.812 1.00 0.00 C ATOM 1421 OG SER A 106 53.489 2.383 12.112 1.00 0.00 O ATOM 0 H SER A 106 53.479 6.610 12.439 1.00 0.00 H new ATOM 0 HA SER A 106 52.150 4.156 13.344 1.00 0.00 H new ATOM 0 HB2 SER A 106 53.067 3.985 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 106 54.652 4.013 11.638 1.00 0.00 H new ATOM 0 HG SER A 106 53.847 1.855 11.368 1.00 0.00 H new ATOM 1427 N THR A 107 54.267 3.608 14.790 1.00 0.00 N ATOM 1428 CA THR A 107 55.218 3.563 15.894 1.00 0.00 C ATOM 1429 C THR A 107 55.826 2.172 16.038 1.00 0.00 C ATOM 1430 O THR A 107 57.045 2.024 16.136 1.00 0.00 O ATOM 1431 CB THR A 107 54.552 3.960 17.225 1.00 0.00 C ATOM 1432 OG1 THR A 107 53.128 3.965 17.079 1.00 0.00 O ATOM 1433 CG2 THR A 107 55.026 5.333 17.679 1.00 0.00 C ATOM 0 H THR A 107 53.773 2.732 14.623 1.00 0.00 H new ATOM 0 HA THR A 107 56.006 4.280 15.663 1.00 0.00 H new ATOM 0 HB THR A 107 54.836 3.227 17.980 1.00 0.00 H new ATOM 0 HG1 THR A 107 52.713 4.217 17.930 1.00 0.00 H new ATOM 0 HG21 THR A 107 54.542 5.592 18.621 1.00 0.00 H new ATOM 0 HG22 THR A 107 56.107 5.317 17.819 1.00 0.00 H new ATOM 0 HG23 THR A 107 54.769 6.075 16.923 1.00 0.00 H new ATOM 1441 N HIS A 108 54.971 1.155 16.050 1.00 0.00 N ATOM 1442 CA HIS A 108 55.426 -0.225 16.181 1.00 0.00 C ATOM 1443 C HIS A 108 56.507 -0.341 17.252 1.00 0.00 C ATOM 1444 O HIS A 108 57.003 -1.433 17.530 1.00 0.00 O ATOM 1445 CB HIS A 108 55.959 -0.737 14.843 1.00 0.00 C ATOM 1446 CG HIS A 108 57.362 -0.303 14.552 1.00 0.00 C ATOM 1447 ND1 HIS A 108 58.468 -0.898 15.121 1.00 0.00 N ATOM 1448 CD2 HIS A 108 57.837 0.674 13.744 1.00 0.00 C ATOM 1449 CE1 HIS A 108 59.562 -0.305 14.677 1.00 0.00 C ATOM 1450 NE2 HIS A 108 59.207 0.652 13.840 1.00 0.00 N ATOM 0 H HIS A 108 53.960 1.260 15.971 1.00 0.00 H new ATOM 0 HA HIS A 108 54.575 -0.836 16.482 1.00 0.00 H new ATOM 0 HB2 HIS A 108 55.916 -1.826 14.837 1.00 0.00 H new ATOM 0 HB3 HIS A 108 55.306 -0.387 14.043 1.00 0.00 H new ATOM 0 HD1 HIS A 108 58.445 -1.675 15.782 1.00 0.00 H new ATOM 0 HD2 HIS A 108 57.248 1.346 13.137 1.00 0.00 H new ATOM 0 HE1 HIS A 108 60.575 -0.560 14.952 1.00 0.00 H new TER 1458 HIS A 108