USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 598 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 44 THR OG1 : rot 180:sc= 0.385 USER MOD Set 1.2: A 67 SER OG : rot 57:sc= -1.78! USER MOD Set 2.1: A 63 GLN : amide:sc= -2.54 K(o=-2.2,f=-7.8!) USER MOD Set 2.2: A 65 TYR OH : rot 166:sc= 0.356 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 165:sc=-0.00369 (180deg=-0.325) USER MOD Set 3.2: A 78 THR OG1 : rot -170:sc= 0 USER MOD Set 4.1: A 13 SER OG : rot -40:sc= -1.46! USER MOD Set 4.2: A 75 THR OG1 : rot -75:sc= 1.11 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0656) USER MOD Single : A 38 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.26) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.937 -0.232 -9.232 1.00 0.00 N ATOM 76 CA SER A 13 72.579 -0.493 -8.655 1.00 0.00 C ATOM 77 C SER A 13 72.396 0.297 -7.356 1.00 0.00 C ATOM 78 O SER A 13 73.356 0.773 -6.775 1.00 0.00 O ATOM 79 CB SER A 13 72.540 -1.997 -8.377 1.00 0.00 C ATOM 80 OG SER A 13 73.473 -2.311 -7.351 1.00 0.00 O ATOM 0 HA SER A 13 71.781 -0.186 -9.331 1.00 0.00 H new ATOM 0 HB2 SER A 13 71.536 -2.297 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.779 -2.552 -9.284 1.00 0.00 H new ATOM 0 HG SER A 13 74.294 -1.793 -7.485 1.00 0.00 H new ATOM 86 N GLU A 14 71.168 0.431 -6.903 1.00 0.00 N ATOM 87 CA GLU A 14 70.885 1.257 -5.690 1.00 0.00 C ATOM 88 C GLU A 14 69.664 0.715 -4.939 1.00 0.00 C ATOM 89 O GLU A 14 68.752 0.171 -5.538 1.00 0.00 O ATOM 90 CB GLU A 14 70.600 2.664 -6.225 1.00 0.00 C ATOM 91 CG GLU A 14 71.913 3.438 -6.362 1.00 0.00 C ATOM 92 CD GLU A 14 71.627 4.843 -6.898 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.701 5.467 -6.408 1.00 0.00 O ATOM 94 OE2 GLU A 14 72.342 5.272 -7.789 1.00 0.00 O ATOM 0 H GLU A 14 70.347 -0.001 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 14 71.717 1.244 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 14 70.100 2.602 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.925 3.190 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.412 3.501 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.589 2.911 -7.036 1.00 0.00 H new ATOM 101 N LEU A 15 69.656 0.861 -3.633 1.00 0.00 N ATOM 102 CA LEU A 15 68.449 0.508 -2.823 1.00 0.00 C ATOM 103 C LEU A 15 68.013 1.709 -1.979 1.00 0.00 C ATOM 104 O LEU A 15 68.808 2.282 -1.254 1.00 0.00 O ATOM 105 CB LEU A 15 68.898 -0.646 -1.925 1.00 0.00 C ATOM 106 CG LEU A 15 67.682 -1.250 -1.221 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.858 -2.057 -2.226 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.152 -2.169 -0.092 1.00 0.00 C ATOM 0 H LEU A 15 70.444 1.214 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 15 67.598 0.231 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.403 -1.408 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.617 -0.288 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 15 67.067 -0.450 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.992 -2.487 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.523 -1.403 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.471 -2.857 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.286 -2.600 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.767 -2.968 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.739 -1.594 0.625 1.00 0.00 H new ATOM 120 N LYS A 16 66.758 2.088 -2.077 1.00 0.00 N ATOM 121 CA LYS A 16 66.222 3.200 -1.233 1.00 0.00 C ATOM 122 C LYS A 16 65.426 2.629 -0.059 1.00 0.00 C ATOM 123 O LYS A 16 64.421 1.967 -0.251 1.00 0.00 O ATOM 124 CB LYS A 16 65.310 4.004 -2.169 1.00 0.00 C ATOM 125 CG LYS A 16 66.115 5.107 -2.867 1.00 0.00 C ATOM 126 CD LYS A 16 67.105 4.481 -3.852 1.00 0.00 C ATOM 127 CE LYS A 16 67.803 5.586 -4.649 1.00 0.00 C ATOM 128 NZ LYS A 16 68.828 6.141 -3.721 1.00 0.00 N ATOM 0 H LYS A 16 66.079 1.669 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 16 67.012 3.819 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.864 3.343 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.490 4.445 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.442 5.783 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.651 5.702 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 16 67.842 3.886 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.582 3.805 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 16 68.263 5.189 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 16 67.096 6.354 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 69.509 6.715 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 68.363 6.735 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 69.329 5.361 -3.250 1.00 0.00 H new ATOM 142 N LEU A 17 65.878 2.885 1.149 1.00 0.00 N ATOM 143 CA LEU A 17 65.208 2.317 2.361 1.00 0.00 C ATOM 144 C LEU A 17 64.595 3.441 3.202 1.00 0.00 C ATOM 145 O LEU A 17 65.032 4.576 3.138 1.00 0.00 O ATOM 146 CB LEU A 17 66.319 1.615 3.150 1.00 0.00 C ATOM 147 CG LEU A 17 66.883 0.440 2.343 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.145 -0.086 3.028 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.842 -0.680 2.267 1.00 0.00 C ATOM 0 H LEU A 17 66.691 3.469 1.346 1.00 0.00 H new ATOM 0 HA LEU A 17 64.402 1.633 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 17 67.115 2.323 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.928 1.257 4.102 1.00 0.00 H new ATOM 0 HG LEU A 17 67.126 0.777 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.548 -0.922 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.888 0.709 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.899 -0.421 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.246 -1.514 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.597 -1.018 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.941 -0.307 1.780 1.00 0.00 H new ATOM 161 N LYS A 18 63.586 3.124 3.984 1.00 0.00 N ATOM 162 CA LYS A 18 63.001 4.128 4.929 1.00 0.00 C ATOM 163 C LYS A 18 62.761 3.480 6.307 1.00 0.00 C ATOM 164 O LYS A 18 62.230 2.383 6.359 1.00 0.00 O ATOM 165 CB LYS A 18 61.671 4.538 4.293 1.00 0.00 C ATOM 166 CG LYS A 18 61.082 5.725 5.057 1.00 0.00 C ATOM 167 CD LYS A 18 60.057 6.441 4.175 1.00 0.00 C ATOM 168 CE LYS A 18 59.538 7.685 4.901 1.00 0.00 C ATOM 169 NZ LYS A 18 58.199 7.946 4.304 1.00 0.00 N ATOM 0 H LYS A 18 63.142 2.206 4.006 1.00 0.00 H new ATOM 0 HA LYS A 18 63.659 4.982 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.823 4.805 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.974 3.700 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.609 5.381 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.875 6.415 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 18 60.513 6.724 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 18 59.229 5.770 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 18 59.465 7.514 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 18 60.207 8.534 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.777 8.785 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 58.301 8.112 3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 57.582 7.124 4.462 1.00 0.00 H new ATOM 183 N PRO A 19 63.149 4.155 7.386 1.00 0.00 N ATOM 184 CA PRO A 19 62.867 3.619 8.747 1.00 0.00 C ATOM 185 C PRO A 19 61.390 3.822 9.100 1.00 0.00 C ATOM 186 O PRO A 19 60.802 4.833 8.759 1.00 0.00 O ATOM 187 CB PRO A 19 63.763 4.455 9.660 1.00 0.00 C ATOM 188 CG PRO A 19 63.964 5.742 8.933 1.00 0.00 C ATOM 189 CD PRO A 19 63.874 5.441 7.460 1.00 0.00 C ATOM 0 HA PRO A 19 63.061 2.550 8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.294 4.619 10.630 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.713 3.954 9.846 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.207 6.470 9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.934 6.175 9.179 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.341 6.228 6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.864 5.365 7.010 1.00 0.00 H new ATOM 197 N LEU A 20 60.797 2.865 9.777 1.00 0.00 N ATOM 198 CA LEU A 20 59.365 3.000 10.212 1.00 0.00 C ATOM 199 C LEU A 20 59.185 3.891 11.479 1.00 0.00 C ATOM 200 O LEU A 20 58.325 4.754 11.425 1.00 0.00 O ATOM 201 CB LEU A 20 58.828 1.572 10.403 1.00 0.00 C ATOM 202 CG LEU A 20 58.649 0.907 9.037 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.636 -0.613 9.206 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.325 1.363 8.419 1.00 0.00 C ATOM 0 H LEU A 20 61.245 1.990 10.049 1.00 0.00 H new ATOM 0 HA LEU A 20 58.790 3.526 9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.519 0.991 11.014 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.877 1.598 10.934 1.00 0.00 H new ATOM 0 HG LEU A 20 59.474 1.192 8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.508 -1.086 8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.578 -0.938 9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.812 -0.899 9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.196 0.890 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.501 1.078 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.334 2.446 8.298 1.00 0.00 H new ATOM 216 N PRO A 21 59.940 3.715 12.583 1.00 0.00 N ATOM 217 CA PRO A 21 59.915 4.761 13.655 1.00 0.00 C ATOM 218 C PRO A 21 60.565 6.055 13.152 1.00 0.00 C ATOM 219 O PRO A 21 61.374 6.031 12.240 1.00 0.00 O ATOM 220 CB PRO A 21 60.726 4.153 14.802 1.00 0.00 C ATOM 221 CG PRO A 21 61.596 3.131 14.159 1.00 0.00 C ATOM 222 CD PRO A 21 60.833 2.600 12.980 1.00 0.00 C ATOM 0 HA PRO A 21 58.903 5.023 13.962 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.319 4.912 15.312 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.074 3.702 15.550 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.542 3.571 13.842 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.835 2.330 14.859 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.503 2.319 12.167 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.263 1.710 13.245 1.00 0.00 H new ATOM 230 N LYS A 22 60.213 7.175 13.746 1.00 0.00 N ATOM 231 CA LYS A 22 60.781 8.491 13.297 1.00 0.00 C ATOM 232 C LYS A 22 62.194 8.691 13.869 1.00 0.00 C ATOM 233 O LYS A 22 62.372 9.252 14.936 1.00 0.00 O ATOM 234 CB LYS A 22 59.804 9.577 13.796 1.00 0.00 C ATOM 235 CG LYS A 22 59.645 9.542 15.332 1.00 0.00 C ATOM 236 CD LYS A 22 58.162 9.575 15.720 1.00 0.00 C ATOM 237 CE LYS A 22 57.646 11.014 15.649 1.00 0.00 C ATOM 238 NZ LYS A 22 56.288 10.965 16.259 1.00 0.00 N ATOM 0 H LYS A 22 59.556 7.234 14.524 1.00 0.00 H new ATOM 0 HA LYS A 22 60.881 8.537 12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.165 10.559 13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.831 9.434 13.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.111 8.641 15.731 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.162 10.392 15.776 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.586 8.938 15.049 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.030 9.180 16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 22 58.299 11.695 16.194 1.00 0.00 H new ATOM 0 HE3 LYS A 22 57.604 11.368 14.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 55.868 11.916 16.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 55.686 10.314 15.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.360 10.631 17.241 1.00 0.00 H new ATOM 252 N VAL A 23 63.196 8.229 13.152 1.00 0.00 N ATOM 253 CA VAL A 23 64.611 8.380 13.618 1.00 0.00 C ATOM 254 C VAL A 23 65.539 8.639 12.419 1.00 0.00 C ATOM 255 O VAL A 23 65.364 8.062 11.359 1.00 0.00 O ATOM 256 CB VAL A 23 64.942 7.056 14.339 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.851 5.863 13.376 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.354 7.124 14.929 1.00 0.00 C ATOM 0 H VAL A 23 63.090 7.751 12.257 1.00 0.00 H new ATOM 0 HA VAL A 23 64.748 9.229 14.288 1.00 0.00 H new ATOM 0 HB VAL A 23 64.213 6.915 15.137 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.089 4.944 13.912 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.840 5.797 12.973 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.559 6.000 12.559 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.582 6.187 15.437 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.075 7.288 14.128 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.411 7.946 15.642 1.00 0.00 H new ATOM 268 N GLU A 24 66.516 9.501 12.591 1.00 0.00 N ATOM 269 CA GLU A 24 67.505 9.775 11.502 1.00 0.00 C ATOM 270 C GLU A 24 68.871 9.191 11.874 1.00 0.00 C ATOM 271 O GLU A 24 69.450 9.560 12.880 1.00 0.00 O ATOM 272 CB GLU A 24 67.581 11.300 11.408 1.00 0.00 C ATOM 273 CG GLU A 24 66.251 11.851 10.888 1.00 0.00 C ATOM 274 CD GLU A 24 66.342 13.373 10.766 1.00 0.00 C ATOM 275 OE1 GLU A 24 66.334 14.032 11.793 1.00 0.00 O ATOM 276 OE2 GLU A 24 66.417 13.855 9.647 1.00 0.00 O ATOM 0 H GLU A 24 66.670 10.031 13.449 1.00 0.00 H new ATOM 0 HA GLU A 24 67.212 9.324 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 24 67.803 11.724 12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.393 11.593 10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.017 11.411 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.442 11.578 11.566 1.00 0.00 H new ATOM 283 N LEU A 25 69.381 8.288 11.066 1.00 0.00 N ATOM 284 CA LEU A 25 70.679 7.614 11.387 1.00 0.00 C ATOM 285 C LEU A 25 71.849 8.362 10.717 1.00 0.00 C ATOM 286 O LEU A 25 71.788 8.610 9.527 1.00 0.00 O ATOM 287 CB LEU A 25 70.551 6.202 10.810 1.00 0.00 C ATOM 288 CG LEU A 25 69.488 5.421 11.588 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.156 4.129 10.838 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.021 5.077 12.982 1.00 0.00 C ATOM 0 H LEU A 25 68.949 7.988 10.192 1.00 0.00 H new ATOM 0 HA LEU A 25 70.879 7.601 12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.280 6.253 9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.510 5.687 10.868 1.00 0.00 H new ATOM 0 HG LEU A 25 68.589 6.030 11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.399 3.572 11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.776 4.372 9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.056 3.522 10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.263 4.521 13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 25 70.920 4.469 12.888 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.259 5.996 13.517 1.00 0.00 H new ATOM 302 N PRO A 26 72.887 8.706 11.477 1.00 0.00 N ATOM 303 CA PRO A 26 74.086 9.378 10.881 1.00 0.00 C ATOM 304 C PRO A 26 74.735 8.512 9.775 1.00 0.00 C ATOM 305 O PRO A 26 74.422 7.343 9.664 1.00 0.00 O ATOM 306 CB PRO A 26 75.041 9.546 12.066 1.00 0.00 C ATOM 307 CG PRO A 26 74.163 9.493 13.270 1.00 0.00 C ATOM 308 CD PRO A 26 73.059 8.534 12.935 1.00 0.00 C ATOM 0 HA PRO A 26 73.831 10.323 10.401 1.00 0.00 H new ATOM 0 HB2 PRO A 26 75.790 8.754 12.087 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.579 10.492 12.010 1.00 0.00 H new ATOM 0 HG2 PRO A 26 74.720 9.157 14.145 1.00 0.00 H new ATOM 0 HG3 PRO A 26 73.764 10.480 13.506 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.326 7.509 13.190 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.144 8.769 13.478 1.00 0.00 H new ATOM 316 N PRO A 27 75.620 9.111 8.992 1.00 0.00 N ATOM 317 CA PRO A 27 76.144 8.440 7.759 1.00 0.00 C ATOM 318 C PRO A 27 76.984 7.187 8.069 1.00 0.00 C ATOM 319 O PRO A 27 77.334 6.460 7.157 1.00 0.00 O ATOM 320 CB PRO A 27 77.015 9.520 7.100 1.00 0.00 C ATOM 321 CG PRO A 27 76.589 10.800 7.735 1.00 0.00 C ATOM 322 CD PRO A 27 76.221 10.450 9.144 1.00 0.00 C ATOM 0 HA PRO A 27 75.333 8.081 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.075 9.329 7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.863 9.545 6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.393 11.535 7.711 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.742 11.237 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.092 10.432 9.799 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.517 11.165 9.570 1.00 0.00 H new ATOM 330 N ASP A 28 77.319 6.930 9.318 1.00 0.00 N ATOM 331 CA ASP A 28 78.100 5.692 9.653 1.00 0.00 C ATOM 332 C ASP A 28 77.192 4.449 9.612 1.00 0.00 C ATOM 333 O ASP A 28 77.643 3.360 9.294 1.00 0.00 O ATOM 334 CB ASP A 28 78.695 5.921 11.058 1.00 0.00 C ATOM 335 CG ASP A 28 77.596 6.077 12.123 1.00 0.00 C ATOM 336 OD1 ASP A 28 76.542 6.601 11.803 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.833 5.667 13.247 1.00 0.00 O ATOM 0 H ASP A 28 77.086 7.522 10.115 1.00 0.00 H new ATOM 0 HA ASP A 28 78.894 5.510 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.340 5.083 11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.321 6.814 11.047 1.00 0.00 H new ATOM 342 N PHE A 29 75.922 4.610 9.924 1.00 0.00 N ATOM 343 CA PHE A 29 74.981 3.433 9.954 1.00 0.00 C ATOM 344 C PHE A 29 74.901 2.754 8.581 1.00 0.00 C ATOM 345 O PHE A 29 74.972 1.543 8.486 1.00 0.00 O ATOM 346 CB PHE A 29 73.609 3.996 10.352 1.00 0.00 C ATOM 347 CG PHE A 29 73.377 3.997 11.844 1.00 0.00 C ATOM 348 CD1 PHE A 29 73.856 5.080 12.642 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.678 2.913 12.457 1.00 0.00 C ATOM 350 CE1 PHE A 29 73.637 5.081 14.054 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.457 2.912 13.870 1.00 0.00 C ATOM 352 CZ PHE A 29 72.937 3.996 14.668 1.00 0.00 C ATOM 0 H PHE A 29 75.495 5.506 10.159 1.00 0.00 H new ATOM 0 HA PHE A 29 75.326 2.676 10.658 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.519 5.015 9.976 1.00 0.00 H new ATOM 0 HB3 PHE A 29 72.828 3.408 9.870 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.385 5.899 12.178 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.316 2.094 11.853 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.000 5.900 14.657 1.00 0.00 H new ATOM 0 HE2 PHE A 29 71.928 2.093 14.334 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.771 3.996 15.735 1.00 0.00 H new ATOM 362 N VAL A 30 74.765 3.526 7.524 1.00 0.00 N ATOM 363 CA VAL A 30 74.491 2.934 6.165 1.00 0.00 C ATOM 364 C VAL A 30 75.614 1.958 5.758 1.00 0.00 C ATOM 365 O VAL A 30 75.371 0.972 5.084 1.00 0.00 O ATOM 366 CB VAL A 30 74.383 4.134 5.197 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.715 4.891 5.111 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.980 3.640 3.802 1.00 0.00 C ATOM 0 H VAL A 30 74.832 4.544 7.542 1.00 0.00 H new ATOM 0 HA VAL A 30 73.572 2.347 6.153 1.00 0.00 H new ATOM 0 HB VAL A 30 73.623 4.815 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.613 5.731 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 30 75.987 5.262 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.493 4.219 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.905 4.489 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.732 2.944 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.016 3.135 3.859 1.00 0.00 H new ATOM 378 N ASP A 31 76.830 2.236 6.178 1.00 0.00 N ATOM 379 CA ASP A 31 77.976 1.316 5.871 1.00 0.00 C ATOM 380 C ASP A 31 77.830 0.015 6.664 1.00 0.00 C ATOM 381 O ASP A 31 78.056 -1.062 6.140 1.00 0.00 O ATOM 382 CB ASP A 31 79.246 2.062 6.300 1.00 0.00 C ATOM 383 CG ASP A 31 79.439 3.298 5.419 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.276 3.178 4.216 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.746 4.346 5.963 1.00 0.00 O ATOM 0 H ASP A 31 77.078 3.063 6.722 1.00 0.00 H new ATOM 0 HA ASP A 31 78.009 1.053 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.170 2.357 7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.112 1.405 6.216 1.00 0.00 H new ATOM 390 N VAL A 32 77.444 0.111 7.919 1.00 0.00 N ATOM 391 CA VAL A 32 77.330 -1.115 8.783 1.00 0.00 C ATOM 392 C VAL A 32 76.157 -1.979 8.290 1.00 0.00 C ATOM 393 O VAL A 32 76.252 -3.193 8.251 1.00 0.00 O ATOM 394 CB VAL A 32 77.092 -0.614 10.224 1.00 0.00 C ATOM 395 CG1 VAL A 32 76.998 -1.804 11.190 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.254 0.283 10.668 1.00 0.00 C ATOM 0 H VAL A 32 77.203 0.987 8.383 1.00 0.00 H new ATOM 0 HA VAL A 32 78.228 -1.732 8.742 1.00 0.00 H new ATOM 0 HB VAL A 32 76.159 -0.050 10.240 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.830 -1.438 12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.169 -2.448 10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 32 77.928 -2.372 11.159 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.077 0.631 11.686 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.184 -0.284 10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.328 1.140 9.999 1.00 0.00 H new ATOM 406 N ILE A 33 75.061 -1.355 7.915 1.00 0.00 N ATOM 407 CA ILE A 33 73.879 -2.118 7.376 1.00 0.00 C ATOM 408 C ILE A 33 74.265 -2.828 6.065 1.00 0.00 C ATOM 409 O ILE A 33 73.931 -3.982 5.862 1.00 0.00 O ATOM 410 CB ILE A 33 72.768 -1.064 7.146 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.383 -0.385 8.481 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.519 -1.707 6.519 1.00 0.00 C ATOM 413 CD1 ILE A 33 71.861 -1.406 9.507 1.00 0.00 C ATOM 0 H ILE A 33 74.932 -0.344 7.959 1.00 0.00 H new ATOM 0 HA ILE A 33 73.539 -2.894 8.062 1.00 0.00 H new ATOM 0 HB ILE A 33 73.159 -0.314 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.251 0.132 8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.619 0.371 8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.754 -0.945 6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.782 -2.152 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.135 -2.480 7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.601 -0.892 10.432 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.977 -1.904 9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.635 -2.147 9.709 1.00 0.00 H new ATOM 425 N ARG A 34 74.968 -2.144 5.188 1.00 0.00 N ATOM 426 CA ARG A 34 75.399 -2.764 3.883 1.00 0.00 C ATOM 427 C ARG A 34 76.280 -4.000 4.123 1.00 0.00 C ATOM 428 O ARG A 34 76.138 -5.005 3.447 1.00 0.00 O ATOM 429 CB ARG A 34 76.200 -1.684 3.149 1.00 0.00 C ATOM 430 CG ARG A 34 76.432 -2.113 1.699 1.00 0.00 C ATOM 431 CD ARG A 34 77.243 -1.037 0.969 1.00 0.00 C ATOM 432 NE ARG A 34 78.617 -1.082 1.575 1.00 0.00 N ATOM 433 CZ ARG A 34 79.448 -0.054 1.517 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.142 1.074 0.912 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.622 -0.166 2.075 1.00 0.00 N ATOM 0 H ARG A 34 75.265 -1.177 5.319 1.00 0.00 H new ATOM 0 HA ARG A 34 74.536 -3.096 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.662 -0.736 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.155 -1.523 3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.963 -3.065 1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.477 -2.266 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.281 -1.235 -0.102 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.791 -0.053 1.096 1.00 0.00 H new ATOM 0 HE ARG A 34 78.920 -1.934 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.232 1.181 0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.814 1.841 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.883 -1.033 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.279 0.614 2.042 1.00 0.00 H new ATOM 449 N ILE A 35 77.179 -3.928 5.081 1.00 0.00 N ATOM 450 CA ILE A 35 78.098 -5.086 5.370 1.00 0.00 C ATOM 451 C ILE A 35 77.285 -6.284 5.895 1.00 0.00 C ATOM 452 O ILE A 35 77.544 -7.417 5.530 1.00 0.00 O ATOM 453 CB ILE A 35 79.099 -4.574 6.430 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.922 -3.420 5.848 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.061 -5.693 6.854 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.534 -2.603 6.988 1.00 0.00 C ATOM 0 H ILE A 35 77.318 -3.113 5.679 1.00 0.00 H new ATOM 0 HA ILE A 35 78.622 -5.430 4.478 1.00 0.00 H new ATOM 0 HB ILE A 35 78.532 -4.237 7.298 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.709 -3.810 5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.289 -2.784 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.757 -5.311 7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.492 -6.521 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.618 -6.043 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.119 -1.782 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.738 -2.201 7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.181 -3.243 7.588 1.00 0.00 H new ATOM 468 N LYS A 36 76.321 -6.032 6.750 1.00 0.00 N ATOM 469 CA LYS A 36 75.457 -7.141 7.283 1.00 0.00 C ATOM 470 C LYS A 36 74.605 -7.762 6.168 1.00 0.00 C ATOM 471 O LYS A 36 74.483 -8.971 6.080 1.00 0.00 O ATOM 472 CB LYS A 36 74.553 -6.497 8.340 1.00 0.00 C ATOM 473 CG LYS A 36 75.402 -6.023 9.521 1.00 0.00 C ATOM 474 CD LYS A 36 74.509 -5.310 10.539 1.00 0.00 C ATOM 475 CE LYS A 36 73.705 -6.346 11.327 1.00 0.00 C ATOM 476 NZ LYS A 36 74.620 -6.797 12.413 1.00 0.00 N ATOM 0 H LYS A 36 76.093 -5.103 7.104 1.00 0.00 H new ATOM 0 HA LYS A 36 76.065 -7.944 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.012 -5.656 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.806 -7.214 8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 36 75.899 -6.873 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.184 -5.349 9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 36 75.118 -4.714 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 36 73.835 -4.622 10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 36 72.792 -5.911 11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 36 73.405 -7.179 10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 74.473 -7.811 12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 75.606 -6.635 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 74.420 -6.260 13.281 1.00 0.00 H new ATOM 490 N LEU A 37 74.026 -6.942 5.321 1.00 0.00 N ATOM 491 CA LEU A 37 72.935 -7.425 4.409 1.00 0.00 C ATOM 492 C LEU A 37 73.492 -7.955 3.081 1.00 0.00 C ATOM 493 O LEU A 37 72.875 -8.798 2.454 1.00 0.00 O ATOM 494 CB LEU A 37 72.046 -6.203 4.159 1.00 0.00 C ATOM 495 CG LEU A 37 71.269 -5.863 5.434 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.617 -4.487 5.280 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.182 -6.914 5.666 1.00 0.00 C ATOM 0 H LEU A 37 74.262 -5.955 5.221 1.00 0.00 H new ATOM 0 HA LEU A 37 72.390 -8.254 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.657 -5.353 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.353 -6.406 3.342 1.00 0.00 H new ATOM 0 HG LEU A 37 71.953 -5.852 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.063 -4.243 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.389 -3.735 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.934 -4.501 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.629 -6.672 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.499 -6.924 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.642 -7.896 5.773 1.00 0.00 H new ATOM 509 N GLN A 38 74.641 -7.471 2.645 1.00 0.00 N ATOM 510 CA GLN A 38 75.192 -7.843 1.284 1.00 0.00 C ATOM 511 C GLN A 38 75.209 -9.366 1.052 1.00 0.00 C ATOM 512 O GLN A 38 75.431 -10.138 1.969 1.00 0.00 O ATOM 513 CB GLN A 38 76.624 -7.276 1.231 1.00 0.00 C ATOM 514 CG GLN A 38 77.485 -7.850 2.364 1.00 0.00 C ATOM 515 CD GLN A 38 78.899 -7.271 2.278 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.869 -8.002 2.294 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.059 -5.979 2.185 1.00 0.00 N ATOM 0 H GLN A 38 75.228 -6.828 3.177 1.00 0.00 H new ATOM 0 HA GLN A 38 74.558 -7.431 0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.078 -7.513 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.592 -6.189 1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.041 -7.609 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.521 -8.937 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.245 -5.364 2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 38 79.998 -5.584 2.126 1.00 0.00 H new ATOM 526 N GLY A 39 74.976 -9.784 -0.173 1.00 0.00 N ATOM 527 CA GLY A 39 74.832 -11.241 -0.483 1.00 0.00 C ATOM 528 C GLY A 39 73.351 -11.650 -0.502 1.00 0.00 C ATOM 529 O GLY A 39 72.989 -12.609 -1.161 1.00 0.00 O ATOM 0 H GLY A 39 74.879 -9.167 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.287 -11.459 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.367 -11.831 0.261 1.00 0.00 H new ATOM 533 N LYS A 40 72.502 -10.938 0.209 1.00 0.00 N ATOM 534 CA LYS A 40 71.031 -11.223 0.162 1.00 0.00 C ATOM 535 C LYS A 40 70.372 -10.406 -0.953 1.00 0.00 C ATOM 536 O LYS A 40 70.876 -9.367 -1.344 1.00 0.00 O ATOM 537 CB LYS A 40 70.487 -10.801 1.529 1.00 0.00 C ATOM 538 CG LYS A 40 71.045 -11.728 2.611 1.00 0.00 C ATOM 539 CD LYS A 40 70.432 -11.362 3.964 1.00 0.00 C ATOM 540 CE LYS A 40 71.069 -12.216 5.062 1.00 0.00 C ATOM 541 NZ LYS A 40 70.844 -11.453 6.321 1.00 0.00 N ATOM 0 H LYS A 40 72.769 -10.168 0.822 1.00 0.00 H new ATOM 0 HA LYS A 40 70.826 -12.273 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.767 -9.769 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.398 -10.842 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.820 -12.766 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.130 -11.640 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.592 -10.304 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.354 -11.524 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.610 -13.203 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 40 72.132 -12.368 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 71.254 -11.976 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 71.298 -10.520 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.823 -11.330 6.474 1.00 0.00 H new ATOM 555 N THR A 41 69.254 -10.877 -1.460 1.00 0.00 N ATOM 556 CA THR A 41 68.537 -10.148 -2.553 1.00 0.00 C ATOM 557 C THR A 41 67.378 -9.333 -1.976 1.00 0.00 C ATOM 558 O THR A 41 66.758 -9.729 -1.004 1.00 0.00 O ATOM 559 CB THR A 41 68.013 -11.245 -3.481 1.00 0.00 C ATOM 560 OG1 THR A 41 69.070 -12.138 -3.801 1.00 0.00 O ATOM 561 CG2 THR A 41 67.472 -10.614 -4.766 1.00 0.00 C ATOM 0 H THR A 41 68.806 -11.743 -1.159 1.00 0.00 H new ATOM 0 HA THR A 41 69.186 -9.446 -3.076 1.00 0.00 H new ATOM 0 HB THR A 41 67.213 -11.791 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.735 -12.842 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.099 -11.397 -5.427 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.661 -9.929 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.271 -10.067 -5.267 1.00 0.00 H new ATOM 569 N VAL A 42 67.090 -8.199 -2.574 1.00 0.00 N ATOM 570 CA VAL A 42 66.023 -7.289 -2.044 1.00 0.00 C ATOM 571 C VAL A 42 65.070 -6.873 -3.170 1.00 0.00 C ATOM 572 O VAL A 42 65.496 -6.618 -4.284 1.00 0.00 O ATOM 573 CB VAL A 42 66.755 -6.063 -1.465 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.617 -6.497 -0.277 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.653 -5.402 -2.523 1.00 0.00 C ATOM 0 H VAL A 42 67.555 -7.862 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 42 65.419 -7.781 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 42 66.006 -5.339 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.135 -5.630 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.982 -6.937 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.349 -7.234 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.157 -4.540 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.397 -6.120 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 42 67.043 -5.077 -3.366 1.00 0.00 H new ATOM 585 N ARG A 43 63.790 -6.810 -2.877 1.00 0.00 N ATOM 586 CA ARG A 43 62.794 -6.292 -3.864 1.00 0.00 C ATOM 587 C ARG A 43 61.809 -5.347 -3.167 1.00 0.00 C ATOM 588 O ARG A 43 61.519 -5.502 -1.994 1.00 0.00 O ATOM 589 CB ARG A 43 62.071 -7.534 -4.387 1.00 0.00 C ATOM 590 CG ARG A 43 61.219 -7.157 -5.599 1.00 0.00 C ATOM 591 CD ARG A 43 60.471 -8.396 -6.104 1.00 0.00 C ATOM 592 NE ARG A 43 59.778 -7.966 -7.366 1.00 0.00 N ATOM 593 CZ ARG A 43 59.422 -8.827 -8.306 1.00 0.00 C ATOM 594 NH1 ARG A 43 59.625 -10.123 -8.196 1.00 0.00 N ATOM 595 NH2 ARG A 43 58.837 -8.373 -9.381 1.00 0.00 N ATOM 0 H ARG A 43 63.392 -7.100 -1.984 1.00 0.00 H new ATOM 0 HA ARG A 43 63.262 -5.727 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.796 -8.300 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.441 -7.958 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.509 -6.376 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.851 -6.753 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.160 -9.218 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.753 -8.749 -5.364 1.00 0.00 H new ATOM 0 HE ARG A 43 59.575 -6.976 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 43 60.073 -10.500 -7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 43 59.334 -10.750 -8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 43 58.663 -7.373 -9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 43 58.554 -9.018 -10.119 1.00 0.00 H new ATOM 609 N THR A 44 61.291 -4.374 -3.888 1.00 0.00 N ATOM 610 CA THR A 44 60.402 -3.326 -3.262 1.00 0.00 C ATOM 611 C THR A 44 59.220 -3.958 -2.511 1.00 0.00 C ATOM 612 O THR A 44 58.617 -4.907 -2.982 1.00 0.00 O ATOM 613 CB THR A 44 59.881 -2.477 -4.429 1.00 0.00 C ATOM 614 OG1 THR A 44 60.967 -2.110 -5.267 1.00 0.00 O ATOM 615 CG2 THR A 44 59.205 -1.215 -3.887 1.00 0.00 C ATOM 0 H THR A 44 61.445 -4.258 -4.890 1.00 0.00 H new ATOM 0 HA THR A 44 60.956 -2.738 -2.531 1.00 0.00 H new ATOM 0 HB THR A 44 59.157 -3.056 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.636 -1.569 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.836 -0.614 -4.718 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.371 -1.496 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.926 -0.634 -3.312 1.00 0.00 H new ATOM 623 N GLY A 45 58.897 -3.431 -1.349 1.00 0.00 N ATOM 624 CA GLY A 45 57.711 -3.925 -0.580 1.00 0.00 C ATOM 625 C GLY A 45 58.129 -4.923 0.512 1.00 0.00 C ATOM 626 O GLY A 45 57.366 -5.176 1.428 1.00 0.00 O ATOM 0 H GLY A 45 59.411 -2.673 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.193 -3.081 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 45 57.006 -4.402 -1.261 1.00 0.00 H new ATOM 630 N ASP A 46 59.320 -5.489 0.430 1.00 0.00 N ATOM 631 CA ASP A 46 59.807 -6.411 1.518 1.00 0.00 C ATOM 632 C ASP A 46 59.966 -5.652 2.840 1.00 0.00 C ATOM 633 O ASP A 46 60.210 -4.457 2.848 1.00 0.00 O ATOM 634 CB ASP A 46 61.169 -6.938 1.054 1.00 0.00 C ATOM 635 CG ASP A 46 60.984 -7.906 -0.119 1.00 0.00 C ATOM 636 OD1 ASP A 46 60.048 -8.690 -0.081 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.788 -7.851 -1.033 1.00 0.00 O ATOM 0 H ASP A 46 59.973 -5.352 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 46 59.097 -7.220 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.807 -6.107 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.672 -7.444 1.878 1.00 0.00 H new ATOM 642 N VAL A 47 59.829 -6.343 3.948 1.00 0.00 N ATOM 643 CA VAL A 47 60.029 -5.705 5.289 1.00 0.00 C ATOM 644 C VAL A 47 60.905 -6.620 6.156 1.00 0.00 C ATOM 645 O VAL A 47 60.669 -7.813 6.235 1.00 0.00 O ATOM 646 CB VAL A 47 58.618 -5.545 5.891 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.702 -4.873 7.268 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.749 -4.671 4.979 1.00 0.00 C ATOM 0 H VAL A 47 59.584 -7.333 3.980 1.00 0.00 H new ATOM 0 HA VAL A 47 60.531 -4.740 5.226 1.00 0.00 H new ATOM 0 HB VAL A 47 58.176 -6.537 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.700 -4.766 7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.307 -5.486 7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.159 -3.889 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.756 -4.566 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.206 -3.687 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.667 -5.138 3.998 1.00 0.00 H new ATOM 658 N ILE A 48 61.905 -6.061 6.801 1.00 0.00 N ATOM 659 CA ILE A 48 62.817 -6.881 7.666 1.00 0.00 C ATOM 660 C ILE A 48 63.114 -6.141 8.977 1.00 0.00 C ATOM 661 O ILE A 48 63.060 -4.926 9.032 1.00 0.00 O ATOM 662 CB ILE A 48 64.106 -7.115 6.850 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.769 -5.784 6.442 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.767 -7.923 5.591 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.740 -5.326 7.535 1.00 0.00 C ATOM 0 H ILE A 48 62.129 -5.067 6.765 1.00 0.00 H new ATOM 0 HA ILE A 48 62.360 -7.833 7.938 1.00 0.00 H new ATOM 0 HB ILE A 48 64.810 -7.664 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.302 -5.908 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 48 64.006 -5.023 6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.675 -8.091 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.338 -8.883 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 48 63.047 -7.370 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.204 -4.385 7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.196 -5.184 8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.512 -6.082 7.676 1.00 0.00 H new ATOM 677 N GLY A 49 63.421 -6.875 10.024 1.00 0.00 N ATOM 678 CA GLY A 49 63.699 -6.247 11.353 1.00 0.00 C ATOM 679 C GLY A 49 65.187 -6.384 11.687 1.00 0.00 C ATOM 680 O GLY A 49 65.800 -7.396 11.393 1.00 0.00 O ATOM 0 H GLY A 49 63.491 -7.893 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.416 -5.195 11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.097 -6.726 12.125 1.00 0.00 H new ATOM 684 N ILE A 50 65.762 -5.371 12.296 1.00 0.00 N ATOM 685 CA ILE A 50 67.191 -5.449 12.743 1.00 0.00 C ATOM 686 C ILE A 50 67.275 -5.078 14.232 1.00 0.00 C ATOM 687 O ILE A 50 66.652 -4.129 14.673 1.00 0.00 O ATOM 688 CB ILE A 50 67.960 -4.436 11.867 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.833 -4.821 10.386 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.448 -4.432 12.244 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.317 -3.663 9.507 1.00 0.00 C ATOM 0 H ILE A 50 65.298 -4.487 12.504 1.00 0.00 H new ATOM 0 HA ILE A 50 67.613 -6.448 12.634 1.00 0.00 H new ATOM 0 HB ILE A 50 67.534 -3.446 12.033 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.421 -5.716 10.181 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.796 -5.060 10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.980 -3.714 11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.557 -4.152 13.292 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.865 -5.427 12.089 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.225 -3.940 8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.710 -2.779 9.703 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.360 -3.445 9.735 1.00 0.00 H new ATOM 703 N SER A 51 68.035 -5.830 14.995 1.00 0.00 N ATOM 704 CA SER A 51 68.330 -5.438 16.412 1.00 0.00 C ATOM 705 C SER A 51 69.589 -4.568 16.466 1.00 0.00 C ATOM 706 O SER A 51 70.657 -4.996 16.065 1.00 0.00 O ATOM 707 CB SER A 51 68.561 -6.755 17.157 1.00 0.00 C ATOM 708 OG SER A 51 68.818 -6.480 18.527 1.00 0.00 O ATOM 0 H SER A 51 68.466 -6.704 14.695 1.00 0.00 H new ATOM 0 HA SER A 51 67.519 -4.859 16.854 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.687 -7.399 17.061 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.402 -7.292 16.718 1.00 0.00 H new ATOM 0 HG SER A 51 68.965 -7.321 19.008 1.00 0.00 H new ATOM 714 N ILE A 52 69.465 -3.354 16.958 1.00 0.00 N ATOM 715 CA ILE A 52 70.646 -2.433 17.048 1.00 0.00 C ATOM 716 C ILE A 52 70.736 -1.853 18.466 1.00 0.00 C ATOM 717 O ILE A 52 69.778 -1.306 18.981 1.00 0.00 O ATOM 718 CB ILE A 52 70.394 -1.323 16.006 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.257 -1.931 14.601 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.570 -0.335 15.996 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.700 -0.882 13.633 1.00 0.00 C ATOM 0 H ILE A 52 68.590 -2.960 17.303 1.00 0.00 H new ATOM 0 HA ILE A 52 71.588 -2.944 16.849 1.00 0.00 H new ATOM 0 HB ILE A 52 69.473 -0.806 16.275 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.227 -2.283 14.251 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.596 -2.797 14.633 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.384 0.445 15.258 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.674 0.117 16.983 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.488 -0.864 15.741 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.605 -1.318 12.639 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.721 -0.551 13.979 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.377 -0.029 13.592 1.00 0.00 H new ATOM 733 N LEU A 53 71.890 -1.973 19.098 1.00 0.00 N ATOM 734 CA LEU A 53 72.132 -1.366 20.458 1.00 0.00 C ATOM 735 C LEU A 53 71.030 -1.750 21.460 1.00 0.00 C ATOM 736 O LEU A 53 70.692 -0.980 22.343 1.00 0.00 O ATOM 737 CB LEU A 53 72.154 0.154 20.237 1.00 0.00 C ATOM 738 CG LEU A 53 73.358 0.530 19.370 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.217 1.979 18.900 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.642 0.383 20.189 1.00 0.00 C ATOM 0 H LEU A 53 72.691 -2.478 18.719 1.00 0.00 H new ATOM 0 HA LEU A 53 73.066 -1.732 20.884 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.231 0.475 19.754 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.208 0.670 21.196 1.00 0.00 H new ATOM 0 HG LEU A 53 73.401 -0.130 18.504 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.075 2.246 18.283 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.303 2.085 18.316 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.173 2.640 19.766 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.500 0.651 19.572 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.598 1.043 21.056 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.744 -0.649 20.524 1.00 0.00 H new ATOM 752 N GLY A 54 70.478 -2.934 21.320 1.00 0.00 N ATOM 753 CA GLY A 54 69.438 -3.418 22.279 1.00 0.00 C ATOM 754 C GLY A 54 68.078 -2.763 21.980 1.00 0.00 C ATOM 755 O GLY A 54 67.238 -2.675 22.858 1.00 0.00 O ATOM 0 H GLY A 54 70.708 -3.590 20.574 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.348 -4.502 22.210 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.742 -3.188 23.300 1.00 0.00 H new ATOM 759 N LYS A 55 67.857 -2.309 20.761 1.00 0.00 N ATOM 760 CA LYS A 55 66.551 -1.672 20.405 1.00 0.00 C ATOM 761 C LYS A 55 66.035 -2.236 19.079 1.00 0.00 C ATOM 762 O LYS A 55 66.775 -2.329 18.115 1.00 0.00 O ATOM 763 CB LYS A 55 66.859 -0.180 20.266 1.00 0.00 C ATOM 764 CG LYS A 55 67.210 0.398 21.639 1.00 0.00 C ATOM 765 CD LYS A 55 67.409 1.911 21.520 1.00 0.00 C ATOM 766 CE LYS A 55 67.861 2.476 22.869 1.00 0.00 C ATOM 767 NZ LYS A 55 67.409 3.896 22.860 1.00 0.00 N ATOM 0 H LYS A 55 68.532 -2.355 19.998 1.00 0.00 H new ATOM 0 HA LYS A 55 65.783 -1.861 21.155 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.688 -0.032 19.574 1.00 0.00 H new ATOM 0 HB3 LYS A 55 65.998 0.343 19.849 1.00 0.00 H new ATOM 0 HG2 LYS A 55 66.414 0.180 22.351 1.00 0.00 H new ATOM 0 HG3 LYS A 55 68.117 -0.070 22.021 1.00 0.00 H new ATOM 0 HD2 LYS A 55 68.153 2.131 20.754 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.479 2.387 21.208 1.00 0.00 H new ATOM 0 HE2 LYS A 55 67.416 1.925 23.697 1.00 0.00 H new ATOM 0 HE3 LYS A 55 68.943 2.406 22.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 67.682 4.353 23.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 67.854 4.397 22.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 66.375 3.930 22.756 1.00 0.00 H new ATOM 781 N GLU A 56 64.776 -2.612 19.033 1.00 0.00 N ATOM 782 CA GLU A 56 64.190 -3.178 17.773 1.00 0.00 C ATOM 783 C GLU A 56 63.800 -2.049 16.814 1.00 0.00 C ATOM 784 O GLU A 56 63.062 -1.151 17.177 1.00 0.00 O ATOM 785 CB GLU A 56 62.945 -3.958 18.210 1.00 0.00 C ATOM 786 CG GLU A 56 62.421 -4.786 17.036 1.00 0.00 C ATOM 787 CD GLU A 56 61.126 -5.490 17.445 1.00 0.00 C ATOM 788 OE1 GLU A 56 61.180 -6.314 18.343 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.101 -5.192 16.853 1.00 0.00 O ATOM 0 H GLU A 56 64.127 -2.551 19.818 1.00 0.00 H new ATOM 0 HA GLU A 56 64.902 -3.815 17.248 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.188 -4.610 19.049 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.174 -3.269 18.555 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.241 -4.142 16.175 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.167 -5.521 16.734 1.00 0.00 H new ATOM 796 N VAL A 57 64.297 -2.095 15.598 1.00 0.00 N ATOM 797 CA VAL A 57 63.867 -1.115 14.548 1.00 0.00 C ATOM 798 C VAL A 57 63.337 -1.867 13.316 1.00 0.00 C ATOM 799 O VAL A 57 63.944 -2.818 12.855 1.00 0.00 O ATOM 800 CB VAL A 57 65.126 -0.275 14.226 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.272 -1.163 13.725 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.800 0.773 13.154 1.00 0.00 C ATOM 0 H VAL A 57 64.989 -2.777 15.286 1.00 0.00 H new ATOM 0 HA VAL A 57 63.054 -0.470 14.880 1.00 0.00 H new ATOM 0 HB VAL A 57 65.440 0.219 15.146 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.143 -0.545 13.507 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.529 -1.893 14.492 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.960 -1.683 12.819 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.693 1.359 12.935 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.462 0.272 12.247 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.013 1.433 13.518 1.00 0.00 H new ATOM 812 N LYS A 58 62.207 -1.440 12.797 1.00 0.00 N ATOM 813 CA LYS A 58 61.654 -2.049 11.547 1.00 0.00 C ATOM 814 C LYS A 58 62.055 -1.214 10.327 1.00 0.00 C ATOM 815 O LYS A 58 61.953 0.000 10.344 1.00 0.00 O ATOM 816 CB LYS A 58 60.135 -2.027 11.732 1.00 0.00 C ATOM 817 CG LYS A 58 59.741 -2.996 12.849 1.00 0.00 C ATOM 818 CD LYS A 58 58.216 -3.060 12.957 1.00 0.00 C ATOM 819 CE LYS A 58 57.826 -3.936 14.150 1.00 0.00 C ATOM 820 NZ LYS A 58 56.378 -3.663 14.370 1.00 0.00 N ATOM 0 H LYS A 58 61.641 -0.689 13.192 1.00 0.00 H new ATOM 0 HA LYS A 58 62.031 -3.058 11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.803 -1.018 11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.641 -2.308 10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.143 -3.988 12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.170 -2.669 13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.807 -2.057 13.079 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.792 -3.467 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.001 -4.991 13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.414 -3.685 15.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.036 -4.228 15.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 56.242 -2.652 14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 55.843 -3.918 13.515 1.00 0.00 H new ATOM 834 N PHE A 59 62.506 -1.862 9.277 1.00 0.00 N ATOM 835 CA PHE A 59 62.889 -1.135 8.026 1.00 0.00 C ATOM 836 C PHE A 59 62.049 -1.634 6.848 1.00 0.00 C ATOM 837 O PHE A 59 61.914 -2.827 6.640 1.00 0.00 O ATOM 838 CB PHE A 59 64.363 -1.476 7.804 1.00 0.00 C ATOM 839 CG PHE A 59 65.312 -0.663 8.652 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.577 0.702 8.321 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.952 -1.261 9.780 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.480 1.469 9.120 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.856 -0.495 10.578 1.00 0.00 C ATOM 844 CZ PHE A 59 67.121 0.869 10.250 1.00 0.00 C ATOM 0 H PHE A 59 62.626 -2.874 9.235 1.00 0.00 H new ATOM 0 HA PHE A 59 62.724 -0.061 8.108 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.517 -2.534 8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.607 -1.322 6.753 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.095 1.154 7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.753 -2.293 10.030 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.679 2.501 8.871 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.340 -0.948 11.431 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.804 1.447 10.854 1.00 0.00 H new ATOM 854 N LYS A 60 61.488 -0.724 6.081 1.00 0.00 N ATOM 855 CA LYS A 60 60.741 -1.115 4.846 1.00 0.00 C ATOM 856 C LYS A 60 61.556 -0.756 3.601 1.00 0.00 C ATOM 857 O LYS A 60 62.238 0.254 3.574 1.00 0.00 O ATOM 858 CB LYS A 60 59.447 -0.301 4.886 1.00 0.00 C ATOM 859 CG LYS A 60 58.492 -0.817 3.807 1.00 0.00 C ATOM 860 CD LYS A 60 57.248 0.070 3.752 1.00 0.00 C ATOM 861 CE LYS A 60 56.262 -0.497 2.727 1.00 0.00 C ATOM 862 NZ LYS A 60 55.455 0.674 2.284 1.00 0.00 N ATOM 0 H LYS A 60 61.518 0.279 6.262 1.00 0.00 H new ATOM 0 HA LYS A 60 60.547 -2.187 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.982 -0.383 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.663 0.755 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.991 -0.821 2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.207 -1.847 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.779 0.119 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.526 1.088 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.785 -0.957 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.631 -1.267 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.755 0.366 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.964 1.087 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 56.082 1.388 1.861 1.00 0.00 H new ATOM 876 N VAL A 61 61.486 -1.580 2.580 1.00 0.00 N ATOM 877 CA VAL A 61 62.209 -1.284 1.299 1.00 0.00 C ATOM 878 C VAL A 61 61.306 -0.432 0.398 1.00 0.00 C ATOM 879 O VAL A 61 60.254 -0.876 -0.028 1.00 0.00 O ATOM 880 CB VAL A 61 62.505 -2.655 0.654 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.279 -2.467 -0.657 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.354 -3.514 1.601 1.00 0.00 C ATOM 0 H VAL A 61 60.955 -2.451 2.579 1.00 0.00 H new ATOM 0 HA VAL A 61 63.132 -0.727 1.458 1.00 0.00 H new ATOM 0 HB VAL A 61 61.554 -3.150 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.482 -3.441 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.685 -1.869 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.221 -1.958 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.556 -4.478 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.296 -3.006 1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.814 -3.669 2.535 1.00 0.00 H new ATOM 892 N VAL A 62 61.722 0.782 0.109 1.00 0.00 N ATOM 893 CA VAL A 62 60.847 1.734 -0.653 1.00 0.00 C ATOM 894 C VAL A 62 60.915 1.396 -2.147 1.00 0.00 C ATOM 895 O VAL A 62 59.906 1.401 -2.831 1.00 0.00 O ATOM 896 CB VAL A 62 61.406 3.147 -0.377 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.556 4.204 -1.094 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.376 3.442 1.127 1.00 0.00 C ATOM 0 H VAL A 62 62.635 1.155 0.370 1.00 0.00 H new ATOM 0 HA VAL A 62 59.802 1.670 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 62 62.432 3.184 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.961 5.195 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.573 4.018 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.529 4.151 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.772 4.441 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.349 3.387 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.985 2.708 1.654 1.00 0.00 H new ATOM 908 N GLN A 63 62.099 1.109 -2.649 1.00 0.00 N ATOM 909 CA GLN A 63 62.255 0.774 -4.101 1.00 0.00 C ATOM 910 C GLN A 63 63.616 0.121 -4.360 1.00 0.00 C ATOM 911 O GLN A 63 64.636 0.601 -3.900 1.00 0.00 O ATOM 912 CB GLN A 63 62.160 2.112 -4.839 1.00 0.00 C ATOM 913 CG GLN A 63 61.928 1.858 -6.329 1.00 0.00 C ATOM 914 CD GLN A 63 61.304 3.100 -6.968 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.830 4.188 -6.849 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.196 2.983 -7.649 1.00 0.00 N ATOM 0 H GLN A 63 62.965 1.093 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 63 61.495 0.068 -4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.344 2.708 -4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.076 2.684 -4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.872 1.619 -6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.272 0.998 -6.464 1.00 0.00 H new ATOM 0 HE21 GLN A 63 59.753 2.070 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 63 59.773 3.805 -8.080 1.00 0.00 H new ATOM 925 N ALA A 64 63.624 -0.970 -5.093 1.00 0.00 N ATOM 926 CA ALA A 64 64.910 -1.593 -5.536 1.00 0.00 C ATOM 927 C ALA A 64 65.169 -1.267 -7.010 1.00 0.00 C ATOM 928 O ALA A 64 64.275 -1.361 -7.834 1.00 0.00 O ATOM 929 CB ALA A 64 64.706 -3.097 -5.346 1.00 0.00 C ATOM 0 H ALA A 64 62.784 -1.458 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 64 65.767 -1.225 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.608 -3.628 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.498 -3.306 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.866 -3.430 -5.956 1.00 0.00 H new ATOM 935 N TYR A 65 66.382 -0.885 -7.339 1.00 0.00 N ATOM 936 CA TYR A 65 66.724 -0.532 -8.753 1.00 0.00 C ATOM 937 C TYR A 65 67.992 -1.293 -9.200 1.00 0.00 C ATOM 938 O TYR A 65 69.037 -1.069 -8.624 1.00 0.00 O ATOM 939 CB TYR A 65 66.998 0.975 -8.720 1.00 0.00 C ATOM 940 CG TYR A 65 65.758 1.821 -8.890 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.880 1.591 -9.994 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.463 2.853 -7.946 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.708 2.394 -10.155 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.291 3.655 -8.106 1.00 0.00 C ATOM 945 CZ TYR A 65 63.414 3.425 -9.211 1.00 0.00 C ATOM 946 OH TYR A 65 62.282 4.201 -9.366 1.00 0.00 O ATOM 0 H TYR A 65 67.156 -0.802 -6.680 1.00 0.00 H new ATOM 0 HA TYR A 65 65.929 -0.795 -9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.473 1.228 -7.772 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.708 1.224 -9.509 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.102 0.811 -10.707 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.126 3.027 -7.111 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.045 2.221 -10.990 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.068 4.434 -7.392 1.00 0.00 H new ATOM 0 HH TYR A 65 62.108 4.695 -8.538 1.00 0.00 H new ATOM 956 N PRO A 66 67.911 -2.168 -10.198 1.00 0.00 N ATOM 957 CA PRO A 66 66.631 -2.766 -10.707 1.00 0.00 C ATOM 958 C PRO A 66 66.092 -3.789 -9.704 1.00 0.00 C ATOM 959 O PRO A 66 66.816 -4.240 -8.835 1.00 0.00 O ATOM 960 CB PRO A 66 67.055 -3.454 -12.003 1.00 0.00 C ATOM 961 CG PRO A 66 68.489 -3.793 -11.788 1.00 0.00 C ATOM 962 CD PRO A 66 69.065 -2.688 -10.947 1.00 0.00 C ATOM 0 HA PRO A 66 65.839 -2.032 -10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.459 -4.347 -12.193 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.926 -2.797 -12.863 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.590 -4.755 -11.286 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.016 -3.872 -12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.840 -3.060 -10.277 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.521 -1.914 -11.564 1.00 0.00 H new ATOM 970 N SER A 67 64.837 -4.154 -9.823 1.00 0.00 N ATOM 971 CA SER A 67 64.245 -5.166 -8.894 1.00 0.00 C ATOM 972 C SER A 67 64.149 -6.537 -9.598 1.00 0.00 C ATOM 973 O SER A 67 63.879 -6.573 -10.783 1.00 0.00 O ATOM 974 CB SER A 67 62.848 -4.636 -8.571 1.00 0.00 C ATOM 975 OG SER A 67 62.955 -3.534 -7.682 1.00 0.00 O ATOM 0 H SER A 67 64.195 -3.792 -10.528 1.00 0.00 H new ATOM 0 HA SER A 67 64.847 -5.306 -7.996 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.342 -4.331 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.244 -5.423 -8.121 1.00 0.00 H new ATOM 0 HG SER A 67 63.521 -2.843 -8.085 1.00 0.00 H new ATOM 981 N PRO A 68 64.365 -7.638 -8.886 1.00 0.00 N ATOM 982 CA PRO A 68 65.158 -7.677 -7.613 1.00 0.00 C ATOM 983 C PRO A 68 66.652 -7.482 -7.903 1.00 0.00 C ATOM 984 O PRO A 68 67.094 -7.639 -9.028 1.00 0.00 O ATOM 985 CB PRO A 68 64.891 -9.081 -7.071 1.00 0.00 C ATOM 986 CG PRO A 68 64.581 -9.891 -8.282 1.00 0.00 C ATOM 987 CD PRO A 68 63.863 -8.976 -9.233 1.00 0.00 C ATOM 0 HA PRO A 68 64.880 -6.891 -6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.758 -9.474 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.059 -9.084 -6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.494 -10.280 -8.733 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.960 -10.750 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.082 -9.228 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.782 -9.041 -9.110 1.00 0.00 H new ATOM 995 N LEU A 69 67.421 -7.140 -6.891 1.00 0.00 N ATOM 996 CA LEU A 69 68.910 -7.079 -7.043 1.00 0.00 C ATOM 997 C LEU A 69 69.596 -7.606 -5.776 1.00 0.00 C ATOM 998 O LEU A 69 69.014 -7.592 -4.706 1.00 0.00 O ATOM 999 CB LEU A 69 69.250 -5.597 -7.294 1.00 0.00 C ATOM 1000 CG LEU A 69 68.807 -4.707 -6.114 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.929 -4.638 -5.068 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.487 -3.291 -6.619 1.00 0.00 C ATOM 0 H LEU A 69 67.076 -6.900 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 69 69.261 -7.701 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.324 -5.490 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.761 -5.260 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 69 67.914 -5.136 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.613 -4.009 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.147 -5.641 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.825 -4.215 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.175 -2.668 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.375 -2.860 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.684 -3.340 -7.354 1.00 0.00 H new ATOM 1014 N ARG A 70 70.818 -8.073 -5.899 1.00 0.00 N ATOM 1015 CA ARG A 70 71.619 -8.448 -4.691 1.00 0.00 C ATOM 1016 C ARG A 70 72.432 -7.243 -4.210 1.00 0.00 C ATOM 1017 O ARG A 70 72.939 -6.475 -5.008 1.00 0.00 O ATOM 1018 CB ARG A 70 72.549 -9.581 -5.144 1.00 0.00 C ATOM 1019 CG ARG A 70 71.868 -10.932 -4.915 1.00 0.00 C ATOM 1020 CD ARG A 70 72.498 -11.985 -5.830 1.00 0.00 C ATOM 1021 NE ARG A 70 71.725 -13.241 -5.563 1.00 0.00 N ATOM 1022 CZ ARG A 70 71.938 -13.990 -4.494 1.00 0.00 C ATOM 1023 NH1 ARG A 70 72.841 -13.689 -3.586 1.00 0.00 N ATOM 1024 NH2 ARG A 70 71.223 -15.070 -4.333 1.00 0.00 N ATOM 0 H ARG A 70 71.296 -8.211 -6.790 1.00 0.00 H new ATOM 0 HA ARG A 70 70.985 -8.763 -3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.796 -9.462 -6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.487 -9.538 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.973 -11.232 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.800 -10.851 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.426 -11.692 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.557 -12.118 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 70 71.009 -13.529 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 70 73.410 -12.849 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 70 72.972 -14.295 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.517 -15.322 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 70 71.371 -15.662 -3.516 1.00 0.00 H new ATOM 1038 N VAL A 71 72.551 -7.085 -2.911 1.00 0.00 N ATOM 1039 CA VAL A 71 73.293 -5.909 -2.346 1.00 0.00 C ATOM 1040 C VAL A 71 74.794 -6.227 -2.321 1.00 0.00 C ATOM 1041 O VAL A 71 75.203 -7.261 -1.824 1.00 0.00 O ATOM 1042 CB VAL A 71 72.737 -5.703 -0.921 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.424 -4.507 -0.249 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.230 -5.426 -0.980 1.00 0.00 C ATOM 0 H VAL A 71 72.165 -7.723 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 71 73.163 -5.005 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 71 72.929 -6.609 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 71 73.022 -4.374 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.497 -4.690 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.242 -3.606 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.847 -5.282 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.048 -4.527 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.722 -6.272 -1.443 1.00 0.00 H new ATOM 1054 N GLU A 72 75.603 -5.339 -2.855 1.00 0.00 N ATOM 1055 CA GLU A 72 77.080 -5.571 -2.907 1.00 0.00 C ATOM 1056 C GLU A 72 77.825 -4.339 -2.389 1.00 0.00 C ATOM 1057 O GLU A 72 77.215 -3.347 -2.031 1.00 0.00 O ATOM 1058 CB GLU A 72 77.406 -5.794 -4.387 1.00 0.00 C ATOM 1059 CG GLU A 72 76.720 -7.066 -4.888 1.00 0.00 C ATOM 1060 CD GLU A 72 77.274 -7.438 -6.265 1.00 0.00 C ATOM 1061 OE1 GLU A 72 76.902 -6.787 -7.228 1.00 0.00 O ATOM 1062 OE2 GLU A 72 78.062 -8.368 -6.334 1.00 0.00 O ATOM 0 H GLU A 72 75.297 -4.455 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 72 77.379 -6.418 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 72 77.075 -4.937 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 72 78.485 -5.875 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 72 76.886 -7.882 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.643 -6.911 -4.948 1.00 0.00 H new ATOM 1069 N ASP A 73 79.137 -4.404 -2.346 1.00 0.00 N ATOM 1070 CA ASP A 73 79.963 -3.174 -2.078 1.00 0.00 C ATOM 1071 C ASP A 73 79.748 -2.120 -3.175 1.00 0.00 C ATOM 1072 O ASP A 73 79.863 -0.933 -2.924 1.00 0.00 O ATOM 1073 CB ASP A 73 81.424 -3.642 -2.079 1.00 0.00 C ATOM 1074 CG ASP A 73 82.321 -2.523 -1.547 1.00 0.00 C ATOM 1075 OD1 ASP A 73 82.448 -2.418 -0.338 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.865 -1.791 -2.356 1.00 0.00 O ATOM 0 H ASP A 73 79.676 -5.259 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 73 79.683 -2.712 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.531 -4.533 -1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.728 -3.916 -3.089 1.00 0.00 H new ATOM 1081 N ARG A 74 79.438 -2.552 -4.380 1.00 0.00 N ATOM 1082 CA ARG A 74 79.242 -1.589 -5.515 1.00 0.00 C ATOM 1083 C ARG A 74 77.820 -1.009 -5.520 1.00 0.00 C ATOM 1084 O ARG A 74 77.589 0.037 -6.102 1.00 0.00 O ATOM 1085 CB ARG A 74 79.485 -2.403 -6.791 1.00 0.00 C ATOM 1086 CG ARG A 74 80.960 -2.805 -6.867 1.00 0.00 C ATOM 1087 CD ARG A 74 81.215 -3.564 -8.172 1.00 0.00 C ATOM 1088 NE ARG A 74 82.665 -3.934 -8.125 1.00 0.00 N ATOM 1089 CZ ARG A 74 83.627 -3.066 -8.390 1.00 0.00 C ATOM 1090 NH1 ARG A 74 83.383 -1.815 -8.714 1.00 0.00 N ATOM 1091 NH2 ARG A 74 84.867 -3.467 -8.329 1.00 0.00 N ATOM 0 H ARG A 74 79.312 -3.534 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 74 79.922 -0.741 -5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 74 78.854 -3.292 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.212 -1.816 -7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.593 -1.919 -6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.222 -3.430 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 74 80.583 -4.449 -8.244 1.00 0.00 H new ATOM 0 HD3 ARG A 74 80.994 -2.943 -9.040 1.00 0.00 H new ATOM 0 HE ARG A 74 82.920 -4.891 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.421 -1.481 -8.769 1.00 0.00 H new ATOM 0 HH12 ARG A 74 84.156 -1.179 -8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.079 -4.433 -8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 74 85.625 -2.814 -8.530 1.00 0.00 H new ATOM 1105 N THR A 75 76.874 -1.672 -4.884 1.00 0.00 N ATOM 1106 CA THR A 75 75.489 -1.102 -4.771 1.00 0.00 C ATOM 1107 C THR A 75 75.452 -0.013 -3.695 1.00 0.00 C ATOM 1108 O THR A 75 75.852 -0.241 -2.566 1.00 0.00 O ATOM 1109 CB THR A 75 74.581 -2.269 -4.374 1.00 0.00 C ATOM 1110 OG1 THR A 75 74.843 -3.381 -5.220 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.116 -1.850 -4.516 1.00 0.00 C ATOM 0 H THR A 75 77.003 -2.581 -4.440 1.00 0.00 H new ATOM 0 HA THR A 75 75.167 -0.647 -5.708 1.00 0.00 H new ATOM 0 HB THR A 75 74.778 -2.546 -3.338 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.443 -3.223 -6.101 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.471 -2.682 -4.233 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.916 -0.998 -3.866 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.916 -1.571 -5.551 1.00 0.00 H new ATOM 1119 N LYS A 76 74.976 1.162 -4.045 1.00 0.00 N ATOM 1120 CA LYS A 76 74.865 2.274 -3.047 1.00 0.00 C ATOM 1121 C LYS A 76 73.501 2.225 -2.353 1.00 0.00 C ATOM 1122 O LYS A 76 72.504 1.885 -2.964 1.00 0.00 O ATOM 1123 CB LYS A 76 75.003 3.564 -3.863 1.00 0.00 C ATOM 1124 CG LYS A 76 76.427 3.668 -4.415 1.00 0.00 C ATOM 1125 CD LYS A 76 76.598 5.005 -5.139 1.00 0.00 C ATOM 1126 CE LYS A 76 75.833 4.972 -6.463 1.00 0.00 C ATOM 1127 NZ LYS A 76 76.045 6.319 -7.064 1.00 0.00 N ATOM 0 H LYS A 76 74.658 1.398 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 76 75.624 2.203 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 76 74.283 3.568 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.780 4.428 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.150 3.587 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.624 2.844 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 76 76.229 5.818 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 76 77.655 5.198 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 76 76.209 4.185 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 76 74.773 4.774 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 75.549 6.374 -7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 75.672 7.048 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.062 6.477 -7.212 1.00 0.00 H new ATOM 1141 N ILE A 77 73.456 2.561 -1.083 1.00 0.00 N ATOM 1142 CA ILE A 77 72.158 2.561 -0.332 1.00 0.00 C ATOM 1143 C ILE A 77 71.922 3.950 0.276 1.00 0.00 C ATOM 1144 O ILE A 77 72.825 4.552 0.831 1.00 0.00 O ATOM 1145 CB ILE A 77 72.306 1.480 0.757 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.544 0.111 0.102 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.029 1.398 1.604 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.013 -0.892 1.157 1.00 0.00 C ATOM 0 H ILE A 77 74.269 2.837 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 77 71.301 2.345 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 77 73.151 1.746 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.626 -0.243 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.291 0.200 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.148 0.630 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.847 2.361 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.184 1.144 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.181 -1.862 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 77 73.942 -0.540 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.251 -0.990 1.930 1.00 0.00 H new ATOM 1160 N THR A 78 70.710 4.449 0.172 1.00 0.00 N ATOM 1161 CA THR A 78 70.399 5.832 0.648 1.00 0.00 C ATOM 1162 C THR A 78 69.199 5.809 1.600 1.00 0.00 C ATOM 1163 O THR A 78 68.318 4.976 1.471 1.00 0.00 O ATOM 1164 CB THR A 78 70.060 6.615 -0.621 1.00 0.00 C ATOM 1165 OG1 THR A 78 71.080 6.410 -1.589 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.958 8.106 -0.293 1.00 0.00 C ATOM 0 H THR A 78 69.916 3.948 -0.228 1.00 0.00 H new ATOM 0 HA THR A 78 71.229 6.278 1.196 1.00 0.00 H new ATOM 0 HB THR A 78 69.106 6.267 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.950 7.029 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.716 8.662 -1.199 1.00 0.00 H new ATOM 0 HG22 THR A 78 69.175 8.263 0.449 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.910 8.457 0.105 1.00 0.00 H new ATOM 1174 N LEU A 79 69.169 6.717 2.549 1.00 0.00 N ATOM 1175 CA LEU A 79 67.991 6.837 3.463 1.00 0.00 C ATOM 1176 C LEU A 79 67.051 7.938 2.965 1.00 0.00 C ATOM 1177 O LEU A 79 67.467 9.064 2.752 1.00 0.00 O ATOM 1178 CB LEU A 79 68.577 7.207 4.827 1.00 0.00 C ATOM 1179 CG LEU A 79 69.381 6.027 5.376 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.248 6.499 6.544 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.421 4.940 5.864 1.00 0.00 C ATOM 0 H LEU A 79 69.918 7.385 2.729 1.00 0.00 H new ATOM 0 HA LEU A 79 67.409 5.916 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.217 8.084 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.777 7.469 5.519 1.00 0.00 H new ATOM 0 HG LEU A 79 70.019 5.625 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.821 5.658 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.932 7.275 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.610 6.901 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.993 4.099 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.784 5.344 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.801 4.602 5.033 1.00 0.00 H new ATOM 1193 N VAL A 80 65.790 7.614 2.783 1.00 0.00 N ATOM 1194 CA VAL A 80 64.805 8.612 2.254 1.00 0.00 C ATOM 1195 C VAL A 80 64.100 9.306 3.427 1.00 0.00 C ATOM 1196 O VAL A 80 63.727 8.668 4.397 1.00 0.00 O ATOM 1197 CB VAL A 80 63.805 7.799 1.405 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.733 8.723 0.811 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.539 7.104 0.251 1.00 0.00 C ATOM 0 H VAL A 80 65.399 6.693 2.980 1.00 0.00 H new ATOM 0 HA VAL A 80 65.279 9.391 1.657 1.00 0.00 H new ATOM 0 HB VAL A 80 63.335 7.058 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.035 8.135 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.193 9.219 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.209 9.472 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.825 6.533 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.018 7.853 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.296 6.431 0.654 1.00 0.00 H new