USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 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 13 SER OG : rot -34:sc= 0.169 USER MOD Set 1.2: A 75 THR OG1 : rot -66:sc= 0.621 USER MOD Set 2.1: A 63 GLN :FLIP amide:sc= -3.04 F(o=-5.1,f=-3.7) USER MOD Set 2.2: A 65 TYR OH : rot 172:sc= -0.666 USER MOD Set 3.1: A 44 THR OG1 : rot 180:sc= 0.0358 USER MOD Set 3.2: A 67 SER OG : rot 68:sc= -1.77! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.292 F(o=-0.94,f=-0.29) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.119) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 15:sc= 0.942 USER MOD Single : A 55 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.143) 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 Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.850 0.238 -9.419 1.00 0.00 N ATOM 76 CA SER A 13 72.670 -0.324 -8.691 1.00 0.00 C ATOM 77 C SER A 13 72.453 0.427 -7.374 1.00 0.00 C ATOM 78 O SER A 13 73.389 0.948 -6.791 1.00 0.00 O ATOM 79 CB SER A 13 73.030 -1.784 -8.421 1.00 0.00 C ATOM 80 OG SER A 13 74.235 -1.841 -7.672 1.00 0.00 O ATOM 0 HA SER A 13 71.748 -0.230 -9.265 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.225 -2.273 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 13 73.148 -2.321 -9.362 1.00 0.00 H new ATOM 0 HG SER A 13 74.821 -1.101 -7.938 1.00 0.00 H new ATOM 86 N GLU A 14 71.225 0.476 -6.908 1.00 0.00 N ATOM 87 CA GLU A 14 70.896 1.277 -5.690 1.00 0.00 C ATOM 88 C GLU A 14 69.712 0.658 -4.940 1.00 0.00 C ATOM 89 O GLU A 14 68.834 0.063 -5.540 1.00 0.00 O ATOM 90 CB GLU A 14 70.526 2.667 -6.218 1.00 0.00 C ATOM 91 CG GLU A 14 71.785 3.531 -6.330 1.00 0.00 C ATOM 92 CD GLU A 14 71.413 4.908 -6.886 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.434 5.469 -6.424 1.00 0.00 O ATOM 94 OE2 GLU A 14 72.118 5.378 -7.765 1.00 0.00 O ATOM 0 H GLU A 14 70.432 -0.010 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 14 71.729 1.311 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 14 70.046 2.580 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.807 3.141 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.254 3.637 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.513 3.048 -6.982 1.00 0.00 H new ATOM 101 N LEU A 15 69.696 0.798 -3.634 1.00 0.00 N ATOM 102 CA LEU A 15 68.504 0.391 -2.828 1.00 0.00 C ATOM 103 C LEU A 15 68.070 1.546 -1.918 1.00 0.00 C ATOM 104 O LEU A 15 68.866 2.077 -1.164 1.00 0.00 O ATOM 105 CB LEU A 15 68.976 -0.801 -1.996 1.00 0.00 C ATOM 106 CG LEU A 15 67.776 -1.454 -1.306 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.939 -2.208 -2.341 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.272 -2.433 -0.241 1.00 0.00 C ATOM 0 H LEU A 15 70.468 1.181 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 15 67.647 0.135 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.480 -1.526 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.702 -0.473 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 15 67.164 -0.684 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 15 66.085 -2.673 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.585 -1.511 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.550 -2.978 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.418 -2.899 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.884 -3.203 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.868 -1.896 0.497 1.00 0.00 H new ATOM 120 N LYS A 16 66.815 1.933 -1.994 1.00 0.00 N ATOM 121 CA LYS A 16 66.297 3.025 -1.112 1.00 0.00 C ATOM 122 C LYS A 16 65.410 2.448 -0.007 1.00 0.00 C ATOM 123 O LYS A 16 64.534 1.640 -0.269 1.00 0.00 O ATOM 124 CB LYS A 16 65.478 3.932 -2.033 1.00 0.00 C ATOM 125 CG LYS A 16 66.400 4.958 -2.708 1.00 0.00 C ATOM 126 CD LYS A 16 65.619 6.243 -2.993 1.00 0.00 C ATOM 127 CE LYS A 16 66.488 7.200 -3.812 1.00 0.00 C ATOM 128 NZ LYS A 16 65.526 8.150 -4.438 1.00 0.00 N ATOM 0 H LYS A 16 66.127 1.535 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 16 67.105 3.566 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.969 3.334 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.706 4.445 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.253 5.174 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.797 4.549 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.703 6.011 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.322 6.716 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.205 7.723 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 16 67.062 6.664 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.046 8.840 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.861 7.624 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 64.999 8.650 -3.694 1.00 0.00 H new ATOM 142 N LEU A 17 65.634 2.868 1.217 1.00 0.00 N ATOM 143 CA LEU A 17 64.879 2.300 2.381 1.00 0.00 C ATOM 144 C LEU A 17 64.226 3.428 3.186 1.00 0.00 C ATOM 145 O LEU A 17 64.735 4.534 3.232 1.00 0.00 O ATOM 146 CB LEU A 17 65.922 1.575 3.244 1.00 0.00 C ATOM 147 CG LEU A 17 66.588 0.442 2.453 1.00 0.00 C ATOM 148 CD1 LEU A 17 67.762 -0.118 3.260 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.573 -0.674 2.190 1.00 0.00 C ATOM 0 H LEU A 17 66.315 3.587 1.461 1.00 0.00 H new ATOM 0 HA LEU A 17 64.086 1.626 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.679 2.284 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.445 1.170 4.137 1.00 0.00 H new ATOM 0 HG LEU A 17 66.949 0.831 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.237 -0.923 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.488 0.674 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.398 -0.504 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.052 -1.476 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.207 -1.065 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.737 -0.277 1.615 1.00 0.00 H new ATOM 161 N LYS A 18 63.107 3.148 3.816 1.00 0.00 N ATOM 162 CA LYS A 18 62.480 4.138 4.748 1.00 0.00 C ATOM 163 C LYS A 18 62.348 3.521 6.156 1.00 0.00 C ATOM 164 O LYS A 18 61.823 2.427 6.272 1.00 0.00 O ATOM 165 CB LYS A 18 61.096 4.416 4.155 1.00 0.00 C ATOM 166 CG LYS A 18 60.435 5.570 4.911 1.00 0.00 C ATOM 167 CD LYS A 18 58.978 5.706 4.463 1.00 0.00 C ATOM 168 CE LYS A 18 58.478 7.118 4.772 1.00 0.00 C ATOM 169 NZ LYS A 18 57.212 7.255 3.999 1.00 0.00 N ATOM 0 H LYS A 18 62.599 2.269 3.722 1.00 0.00 H new ATOM 0 HA LYS A 18 63.071 5.048 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.186 4.665 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.475 3.522 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.481 5.389 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 18 60.973 6.499 4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 18 58.895 5.505 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.359 4.969 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.305 7.251 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.208 7.870 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.808 8.200 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.409 7.130 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.534 6.531 4.312 1.00 0.00 H new ATOM 183 N PRO A 19 62.818 4.218 7.187 1.00 0.00 N ATOM 184 CA PRO A 19 62.633 3.716 8.577 1.00 0.00 C ATOM 185 C PRO A 19 61.179 3.912 9.021 1.00 0.00 C ATOM 186 O PRO A 19 60.584 4.943 8.763 1.00 0.00 O ATOM 187 CB PRO A 19 63.577 4.584 9.408 1.00 0.00 C ATOM 188 CG PRO A 19 63.724 5.848 8.631 1.00 0.00 C ATOM 189 CD PRO A 19 63.557 5.498 7.177 1.00 0.00 C ATOM 0 HA PRO A 19 62.846 2.652 8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.167 4.776 10.399 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.540 4.094 9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.976 6.578 8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.701 6.298 8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.004 6.271 6.644 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.522 5.396 6.680 1.00 0.00 H new ATOM 197 N LEU A 20 60.614 2.927 9.683 1.00 0.00 N ATOM 198 CA LEU A 20 59.207 3.050 10.195 1.00 0.00 C ATOM 199 C LEU A 20 59.088 3.953 11.462 1.00 0.00 C ATOM 200 O LEU A 20 58.219 4.807 11.447 1.00 0.00 O ATOM 201 CB LEU A 20 58.695 1.618 10.428 1.00 0.00 C ATOM 202 CG LEU A 20 58.522 0.915 9.080 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.559 -0.602 9.285 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.179 1.315 8.465 1.00 0.00 C ATOM 0 H LEU A 20 61.069 2.038 9.892 1.00 0.00 H new ATOM 0 HA LEU A 20 58.585 3.562 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.398 1.065 11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.746 1.642 10.963 1.00 0.00 H new ATOM 0 HG LEU A 20 59.330 1.210 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.436 -1.102 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.516 -0.887 9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.752 -0.898 9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.055 0.815 7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.370 1.021 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.154 2.395 8.317 1.00 0.00 H new ATOM 216 N PRO A 21 59.903 3.793 12.525 1.00 0.00 N ATOM 217 CA PRO A 21 59.927 4.847 13.586 1.00 0.00 C ATOM 218 C PRO A 21 60.567 6.129 13.041 1.00 0.00 C ATOM 219 O PRO A 21 61.364 6.083 12.119 1.00 0.00 O ATOM 220 CB PRO A 21 60.778 4.245 14.706 1.00 0.00 C ATOM 221 CG PRO A 21 61.627 3.224 14.033 1.00 0.00 C ATOM 222 CD PRO A 21 60.826 2.687 12.882 1.00 0.00 C ATOM 0 HA PRO A 21 58.930 5.120 13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.387 5.007 15.193 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.154 3.794 15.478 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.560 3.666 13.682 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.893 2.425 14.725 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.468 2.419 12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.278 1.788 13.165 1.00 0.00 H new ATOM 230 N LYS A 22 60.222 7.264 13.609 1.00 0.00 N ATOM 231 CA LYS A 22 60.796 8.565 13.134 1.00 0.00 C ATOM 232 C LYS A 22 62.161 8.809 13.789 1.00 0.00 C ATOM 233 O LYS A 22 62.247 9.368 14.870 1.00 0.00 O ATOM 234 CB LYS A 22 59.788 9.640 13.560 1.00 0.00 C ATOM 235 CG LYS A 22 60.169 10.981 12.926 1.00 0.00 C ATOM 236 CD LYS A 22 59.212 12.068 13.418 1.00 0.00 C ATOM 237 CE LYS A 22 59.536 13.389 12.717 1.00 0.00 C ATOM 238 NZ LYS A 22 58.718 14.411 13.428 1.00 0.00 N ATOM 0 H LYS A 22 59.564 7.344 14.385 1.00 0.00 H new ATOM 0 HA LYS A 22 60.954 8.573 12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 22 58.783 9.353 13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 22 59.775 9.730 14.646 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.195 11.240 13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.125 10.907 11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.181 11.779 13.214 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.302 12.185 14.498 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.599 13.620 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 22 59.282 13.347 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 58.886 15.346 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.710 14.169 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.986 14.433 14.433 1.00 0.00 H new ATOM 252 N VAL A 23 63.222 8.390 13.134 1.00 0.00 N ATOM 253 CA VAL A 23 64.599 8.600 13.683 1.00 0.00 C ATOM 254 C VAL A 23 65.600 8.810 12.534 1.00 0.00 C ATOM 255 O VAL A 23 65.493 8.185 11.493 1.00 0.00 O ATOM 256 CB VAL A 23 64.903 7.327 14.501 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.903 6.079 13.607 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.270 7.463 15.183 1.00 0.00 C ATOM 0 H VAL A 23 63.190 7.908 12.236 1.00 0.00 H new ATOM 0 HA VAL A 23 64.676 9.489 14.309 1.00 0.00 H new ATOM 0 HB VAL A 23 64.122 7.214 15.252 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.120 5.198 14.212 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.925 5.966 13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.664 6.185 12.834 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.480 6.562 15.759 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.042 7.598 14.426 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.260 8.326 15.849 1.00 0.00 H new ATOM 268 N GLU A 24 66.563 9.682 12.730 1.00 0.00 N ATOM 269 CA GLU A 24 67.618 9.910 11.695 1.00 0.00 C ATOM 270 C GLU A 24 68.930 9.247 12.123 1.00 0.00 C ATOM 271 O GLU A 24 69.471 9.557 13.171 1.00 0.00 O ATOM 272 CB GLU A 24 67.783 11.430 11.626 1.00 0.00 C ATOM 273 CG GLU A 24 66.521 12.052 11.024 1.00 0.00 C ATOM 274 CD GLU A 24 66.710 13.565 10.886 1.00 0.00 C ATOM 275 OE1 GLU A 24 67.769 13.973 10.437 1.00 0.00 O ATOM 276 OE2 GLU A 24 65.792 14.290 11.231 1.00 0.00 O ATOM 0 H GLU A 24 66.662 10.250 13.572 1.00 0.00 H new ATOM 0 HA GLU A 24 67.348 9.485 10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 24 67.960 11.833 12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.652 11.685 11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.315 11.611 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.660 11.839 11.658 1.00 0.00 H new ATOM 283 N LEU A 25 69.436 8.339 11.318 1.00 0.00 N ATOM 284 CA LEU A 25 70.684 7.595 11.684 1.00 0.00 C ATOM 285 C LEU A 25 71.918 8.298 11.084 1.00 0.00 C ATOM 286 O LEU A 25 71.929 8.560 9.896 1.00 0.00 O ATOM 287 CB LEU A 25 70.514 6.203 11.069 1.00 0.00 C ATOM 288 CG LEU A 25 69.377 5.462 11.777 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.009 4.211 10.978 1.00 0.00 C ATOM 290 CD2 LEU A 25 69.827 5.057 13.182 1.00 0.00 C ATOM 0 H LEU A 25 69.034 8.081 10.417 1.00 0.00 H new ATOM 0 HA LEU A 25 70.834 7.550 12.763 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.297 6.289 10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.442 5.638 11.161 1.00 0.00 H new ATOM 0 HG LEU A 25 68.508 6.116 11.850 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.199 3.683 11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.687 4.500 9.978 1.00 0.00 H new ATOM 0 HD13 LEU A 25 69.878 3.557 10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.017 4.529 13.686 1.00 0.00 H new ATOM 0 HD22 LEU A 25 70.697 4.404 13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.088 5.949 13.752 1.00 0.00 H new ATOM 302 N PRO A 26 72.928 8.591 11.902 1.00 0.00 N ATOM 303 CA PRO A 26 74.179 9.228 11.376 1.00 0.00 C ATOM 304 C PRO A 26 74.848 8.357 10.288 1.00 0.00 C ATOM 305 O PRO A 26 74.496 7.202 10.140 1.00 0.00 O ATOM 306 CB PRO A 26 75.080 9.341 12.610 1.00 0.00 C ATOM 307 CG PRO A 26 74.143 9.300 13.768 1.00 0.00 C ATOM 308 CD PRO A 26 73.022 8.388 13.363 1.00 0.00 C ATOM 0 HA PRO A 26 73.983 10.189 10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 26 75.798 8.522 12.652 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.654 10.268 12.598 1.00 0.00 H new ATOM 0 HG2 PRO A 26 74.644 8.929 14.662 1.00 0.00 H new ATOM 0 HG3 PRO A 26 73.769 10.297 14.003 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.239 7.349 13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.091 8.648 13.866 1.00 0.00 H new ATOM 316 N PRO A 27 75.792 8.934 9.558 1.00 0.00 N ATOM 317 CA PRO A 27 76.351 8.262 8.342 1.00 0.00 C ATOM 318 C PRO A 27 77.120 6.968 8.671 1.00 0.00 C ATOM 319 O PRO A 27 77.487 6.242 7.765 1.00 0.00 O ATOM 320 CB PRO A 27 77.300 9.314 7.748 1.00 0.00 C ATOM 321 CG PRO A 27 76.890 10.602 8.380 1.00 0.00 C ATOM 322 CD PRO A 27 76.432 10.248 9.761 1.00 0.00 C ATOM 0 HA PRO A 27 75.559 7.949 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.341 9.078 7.971 1.00 0.00 H new ATOM 0 HB3 PRO A 27 77.209 9.360 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.722 11.305 8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 27 76.091 11.080 7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.264 10.190 10.462 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.732 10.983 10.157 1.00 0.00 H new ATOM 330 N ASP A 28 77.377 6.676 9.931 1.00 0.00 N ATOM 331 CA ASP A 28 78.083 5.398 10.282 1.00 0.00 C ATOM 332 C ASP A 28 77.127 4.199 10.161 1.00 0.00 C ATOM 333 O ASP A 28 77.546 3.098 9.839 1.00 0.00 O ATOM 334 CB ASP A 28 78.606 5.572 11.723 1.00 0.00 C ATOM 335 CG ASP A 28 77.455 5.753 12.728 1.00 0.00 C ATOM 336 OD1 ASP A 28 76.447 6.334 12.361 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.608 5.305 13.852 1.00 0.00 O ATOM 0 H ASP A 28 77.129 7.265 10.726 1.00 0.00 H new ATOM 0 HA ASP A 28 78.909 5.196 9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.200 4.701 12.002 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.268 6.437 11.768 1.00 0.00 H new ATOM 342 N PHE A 29 75.850 4.408 10.410 1.00 0.00 N ATOM 343 CA PHE A 29 74.861 3.273 10.363 1.00 0.00 C ATOM 344 C PHE A 29 74.820 2.632 8.970 1.00 0.00 C ATOM 345 O PHE A 29 74.857 1.423 8.844 1.00 0.00 O ATOM 346 CB PHE A 29 73.495 3.882 10.711 1.00 0.00 C ATOM 347 CG PHE A 29 73.192 3.858 12.189 1.00 0.00 C ATOM 348 CD1 PHE A 29 73.668 4.907 13.034 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.430 2.784 12.743 1.00 0.00 C ATOM 350 CE1 PHE A 29 73.381 4.882 14.435 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.142 2.759 14.143 1.00 0.00 C ATOM 352 CZ PHE A 29 72.618 3.808 14.989 1.00 0.00 C ATOM 0 H PHE A 29 75.449 5.316 10.644 1.00 0.00 H new ATOM 0 HA PHE A 29 75.140 2.485 11.063 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.463 4.912 10.357 1.00 0.00 H new ATOM 0 HB3 PHE A 29 72.715 3.338 10.178 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.244 5.719 12.615 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.071 1.991 12.104 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.741 5.675 15.074 1.00 0.00 H new ATOM 0 HE2 PHE A 29 71.565 1.948 14.561 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.401 3.789 16.047 1.00 0.00 H new ATOM 362 N VAL A 30 74.754 3.436 7.929 1.00 0.00 N ATOM 363 CA VAL A 30 74.524 2.888 6.543 1.00 0.00 C ATOM 364 C VAL A 30 75.636 1.891 6.159 1.00 0.00 C ATOM 365 O VAL A 30 75.393 0.930 5.450 1.00 0.00 O ATOM 366 CB VAL A 30 74.494 4.117 5.604 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.851 4.832 5.589 1.00 0.00 C ATOM 368 CG2 VAL A 30 74.131 3.671 4.183 1.00 0.00 C ATOM 0 H VAL A 30 74.849 4.450 7.978 1.00 0.00 H new ATOM 0 HA VAL A 30 73.591 2.329 6.474 1.00 0.00 H new ATOM 0 HB VAL A 30 73.743 4.814 5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.802 5.692 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.096 5.169 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.621 4.144 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 30 74.110 4.539 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.875 2.960 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.149 3.197 4.190 1.00 0.00 H new ATOM 378 N ASP A 31 76.839 2.122 6.637 1.00 0.00 N ATOM 379 CA ASP A 31 77.971 1.178 6.354 1.00 0.00 C ATOM 380 C ASP A 31 77.753 -0.140 7.099 1.00 0.00 C ATOM 381 O ASP A 31 77.975 -1.208 6.554 1.00 0.00 O ATOM 382 CB ASP A 31 79.241 1.873 6.861 1.00 0.00 C ATOM 383 CG ASP A 31 79.507 3.133 6.032 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.386 3.059 4.820 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.828 4.150 6.624 1.00 0.00 O ATOM 0 H ASP A 31 77.086 2.927 7.213 1.00 0.00 H new ATOM 0 HA ASP A 31 78.044 0.945 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.128 2.135 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.091 1.194 6.791 1.00 0.00 H new ATOM 390 N VAL A 32 77.312 -0.068 8.337 1.00 0.00 N ATOM 391 CA VAL A 32 77.126 -1.316 9.157 1.00 0.00 C ATOM 392 C VAL A 32 75.950 -2.127 8.592 1.00 0.00 C ATOM 393 O VAL A 32 76.013 -3.342 8.513 1.00 0.00 O ATOM 394 CB VAL A 32 76.845 -0.852 10.603 1.00 0.00 C ATOM 395 CG1 VAL A 32 76.671 -2.063 11.526 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.018 -0.010 11.121 1.00 0.00 C ATOM 0 H VAL A 32 77.073 0.800 8.816 1.00 0.00 H new ATOM 0 HA VAL A 32 78.006 -1.959 9.132 1.00 0.00 H new ATOM 0 HB VAL A 32 75.931 -0.258 10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.474 -1.721 12.542 1.00 0.00 H new ATOM 0 HG12 VAL A 32 75.834 -2.668 11.178 1.00 0.00 H new ATOM 0 HG13 VAL A 32 77.581 -2.662 11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 32 77.811 0.313 12.141 1.00 0.00 H new ATOM 0 HG22 VAL A 32 78.929 -0.608 11.107 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.148 0.864 10.483 1.00 0.00 H new ATOM 406 N ILE A 33 74.886 -1.460 8.197 1.00 0.00 N ATOM 407 CA ILE A 33 73.704 -2.173 7.591 1.00 0.00 C ATOM 408 C ILE A 33 74.118 -2.860 6.277 1.00 0.00 C ATOM 409 O ILE A 33 73.755 -3.996 6.029 1.00 0.00 O ATOM 410 CB ILE A 33 72.633 -1.078 7.351 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.216 -0.426 8.690 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.391 -1.665 6.660 1.00 0.00 C ATOM 413 CD1 ILE A 33 71.630 -1.462 9.667 1.00 0.00 C ATOM 0 H ILE A 33 74.783 -0.448 8.268 1.00 0.00 H new ATOM 0 HA ILE A 33 73.316 -2.958 8.240 1.00 0.00 H new ATOM 0 HB ILE A 33 73.072 -0.321 6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.081 0.056 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.479 0.355 8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.655 -0.876 6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.677 -2.091 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 33 70.959 -2.444 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.348 -0.967 10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.750 -1.925 9.221 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.377 -2.228 9.876 1.00 0.00 H new ATOM 425 N ARG A 34 74.875 -2.175 5.444 1.00 0.00 N ATOM 426 CA ARG A 34 75.335 -2.777 4.140 1.00 0.00 C ATOM 427 C ARG A 34 76.171 -4.044 4.381 1.00 0.00 C ATOM 428 O ARG A 34 76.011 -5.034 3.690 1.00 0.00 O ATOM 429 CB ARG A 34 76.192 -1.703 3.460 1.00 0.00 C ATOM 430 CG ARG A 34 76.475 -2.114 2.013 1.00 0.00 C ATOM 431 CD ARG A 34 77.321 -1.034 1.327 1.00 0.00 C ATOM 432 NE ARG A 34 78.668 -1.089 1.991 1.00 0.00 N ATOM 433 CZ ARG A 34 79.511 -0.069 1.963 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.237 1.060 1.344 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.660 -0.190 2.568 1.00 0.00 N ATOM 0 H ARG A 34 75.196 -1.221 5.611 1.00 0.00 H new ATOM 0 HA ARG A 34 74.485 -3.070 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.676 -0.743 3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.129 -1.573 4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.000 -3.069 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.538 -2.253 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.404 -1.223 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.868 -0.050 1.442 1.00 0.00 H new ATOM 0 HE ARG A 34 78.942 -1.941 2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.346 1.174 0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.916 1.821 1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.894 -1.058 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.325 0.583 2.559 1.00 0.00 H new ATOM 449 N ILE A 35 77.051 -4.012 5.358 1.00 0.00 N ATOM 450 CA ILE A 35 77.941 -5.196 5.638 1.00 0.00 C ATOM 451 C ILE A 35 77.094 -6.388 6.122 1.00 0.00 C ATOM 452 O ILE A 35 77.332 -7.517 5.731 1.00 0.00 O ATOM 453 CB ILE A 35 78.933 -4.730 6.727 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.788 -3.579 6.187 1.00 0.00 C ATOM 455 CG2 ILE A 35 79.863 -5.878 7.141 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.399 -2.804 7.356 1.00 0.00 C ATOM 0 H ILE A 35 77.194 -3.214 5.978 1.00 0.00 H new ATOM 0 HA ILE A 35 78.473 -5.531 4.748 1.00 0.00 H new ATOM 0 HB ILE A 35 78.359 -4.402 7.593 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.577 -3.969 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.178 -2.914 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.553 -5.528 7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.270 -6.703 7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.428 -6.220 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.007 -1.985 6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.602 -2.401 7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.023 -3.472 7.949 1.00 0.00 H new ATOM 468 N LYS A 36 76.123 -6.134 6.969 1.00 0.00 N ATOM 469 CA LYS A 36 75.242 -7.241 7.481 1.00 0.00 C ATOM 470 C LYS A 36 74.396 -7.838 6.349 1.00 0.00 C ATOM 471 O LYS A 36 74.268 -9.044 6.240 1.00 0.00 O ATOM 472 CB LYS A 36 74.334 -6.599 8.537 1.00 0.00 C ATOM 473 CG LYS A 36 75.177 -6.151 9.733 1.00 0.00 C ATOM 474 CD LYS A 36 74.281 -5.451 10.756 1.00 0.00 C ATOM 475 CE LYS A 36 73.407 -6.488 11.465 1.00 0.00 C ATOM 476 NZ LYS A 36 72.936 -5.811 12.705 1.00 0.00 N ATOM 0 H LYS A 36 75.900 -5.206 7.330 1.00 0.00 H new ATOM 0 HA LYS A 36 75.836 -8.056 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 36 73.808 -5.745 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.575 -7.311 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 36 75.665 -7.012 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 36 75.966 -5.476 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 36 74.891 -4.916 11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 36 73.654 -4.710 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 36 72.569 -6.792 10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 36 73.974 -7.389 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 72.330 -6.460 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 73.755 -5.539 13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 72.394 -4.961 12.452 1.00 0.00 H new ATOM 490 N LEU A 37 73.825 -7.000 5.513 1.00 0.00 N ATOM 491 CA LEU A 37 72.743 -7.463 4.582 1.00 0.00 C ATOM 492 C LEU A 37 73.311 -7.963 3.247 1.00 0.00 C ATOM 493 O LEU A 37 72.709 -8.803 2.602 1.00 0.00 O ATOM 494 CB LEU A 37 71.853 -6.237 4.356 1.00 0.00 C ATOM 495 CG LEU A 37 71.128 -5.883 5.655 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.477 -4.506 5.515 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.045 -6.928 5.940 1.00 0.00 C ATOM 0 H LEU A 37 74.063 -6.011 5.435 1.00 0.00 H new ATOM 0 HA LEU A 37 72.195 -8.304 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.457 -5.393 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.129 -6.441 3.567 1.00 0.00 H new ATOM 0 HG LEU A 37 71.844 -5.868 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 37 69.960 -4.252 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.245 -3.759 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.762 -4.524 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.529 -6.674 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.329 -6.943 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.505 -7.911 6.039 1.00 0.00 H new ATOM 509 N GLN A 38 74.456 -7.456 2.826 1.00 0.00 N ATOM 510 CA GLN A 38 75.021 -7.802 1.464 1.00 0.00 C ATOM 511 C GLN A 38 75.068 -9.324 1.219 1.00 0.00 C ATOM 512 O GLN A 38 75.293 -10.098 2.132 1.00 0.00 O ATOM 513 CB GLN A 38 76.441 -7.206 1.422 1.00 0.00 C ATOM 514 CG GLN A 38 77.310 -7.775 2.552 1.00 0.00 C ATOM 515 CD GLN A 38 78.712 -7.167 2.478 1.00 0.00 C ATOM 516 OE1 GLN A 38 78.846 -5.871 2.400 1.00 0.00 O flip ATOM 517 NE2 GLN A 38 79.697 -7.878 2.491 1.00 0.00 N flip ATOM 0 H GLN A 38 75.030 -6.812 3.370 1.00 0.00 H new ATOM 0 HA GLN A 38 74.384 -7.393 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.902 -7.424 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.387 -6.121 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 38 76.858 -7.554 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.368 -8.860 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 38 79.594 -8.891 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.627 -7.462 2.441 1.00 0.00 H new ATOM 526 N GLY A 39 74.860 -9.736 -0.013 1.00 0.00 N ATOM 527 CA GLY A 39 74.745 -11.193 -0.334 1.00 0.00 C ATOM 528 C GLY A 39 73.272 -11.624 -0.380 1.00 0.00 C ATOM 529 O GLY A 39 72.931 -12.570 -1.069 1.00 0.00 O ATOM 0 H GLY A 39 74.764 -9.115 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.219 -11.397 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.277 -11.779 0.416 1.00 0.00 H new ATOM 533 N LYS A 40 72.405 -10.944 0.341 1.00 0.00 N ATOM 534 CA LYS A 40 70.941 -11.262 0.285 1.00 0.00 C ATOM 535 C LYS A 40 70.269 -10.445 -0.822 1.00 0.00 C ATOM 536 O LYS A 40 70.752 -9.391 -1.198 1.00 0.00 O ATOM 537 CB LYS A 40 70.382 -10.868 1.656 1.00 0.00 C ATOM 538 CG LYS A 40 70.966 -11.788 2.732 1.00 0.00 C ATOM 539 CD LYS A 40 70.322 -11.468 4.082 1.00 0.00 C ATOM 540 CE LYS A 40 70.954 -12.340 5.169 1.00 0.00 C ATOM 541 NZ LYS A 40 72.230 -11.654 5.518 1.00 0.00 N ATOM 0 H LYS A 40 72.653 -10.179 0.968 1.00 0.00 H new ATOM 0 HA LYS A 40 70.760 -12.314 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.630 -9.830 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.294 -10.941 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.787 -12.831 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.046 -11.655 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.459 -10.414 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.248 -11.647 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.301 -12.424 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.136 -13.352 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 72.999 -12.353 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 72.451 -10.942 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 72.132 -11.188 6.443 1.00 0.00 H new ATOM 555 N THR A 41 69.163 -10.932 -1.340 1.00 0.00 N ATOM 556 CA THR A 41 68.456 -10.222 -2.451 1.00 0.00 C ATOM 557 C THR A 41 67.289 -9.399 -1.899 1.00 0.00 C ATOM 558 O THR A 41 66.664 -9.775 -0.923 1.00 0.00 O ATOM 559 CB THR A 41 67.942 -11.332 -3.369 1.00 0.00 C ATOM 560 OG1 THR A 41 69.002 -12.234 -3.658 1.00 0.00 O ATOM 561 CG2 THR A 41 67.422 -10.721 -4.671 1.00 0.00 C ATOM 0 H THR A 41 68.719 -11.798 -1.036 1.00 0.00 H new ATOM 0 HA THR A 41 69.111 -9.528 -2.978 1.00 0.00 H new ATOM 0 HB THR A 41 67.132 -11.868 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.674 -12.947 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.056 -11.513 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.609 -10.029 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.229 -10.184 -5.169 1.00 0.00 H new ATOM 569 N VAL A 42 67.001 -8.282 -2.526 1.00 0.00 N ATOM 570 CA VAL A 42 65.924 -7.366 -2.026 1.00 0.00 C ATOM 571 C VAL A 42 64.965 -7.001 -3.165 1.00 0.00 C ATOM 572 O VAL A 42 65.387 -6.773 -4.286 1.00 0.00 O ATOM 573 CB VAL A 42 66.643 -6.110 -1.494 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.511 -6.489 -0.292 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.533 -5.478 -2.578 1.00 0.00 C ATOM 0 H VAL A 42 67.472 -7.962 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 42 65.327 -7.838 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 42 65.885 -5.384 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.019 -5.601 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.882 -6.907 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.251 -7.229 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.027 -4.594 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.285 -6.200 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.919 -5.191 -3.432 1.00 0.00 H new ATOM 585 N ARG A 43 63.684 -6.952 -2.874 1.00 0.00 N ATOM 586 CA ARG A 43 62.679 -6.499 -3.883 1.00 0.00 C ATOM 587 C ARG A 43 61.675 -5.542 -3.231 1.00 0.00 C ATOM 588 O ARG A 43 61.402 -5.635 -2.047 1.00 0.00 O ATOM 589 CB ARG A 43 61.979 -7.777 -4.350 1.00 0.00 C ATOM 590 CG ARG A 43 61.093 -7.463 -5.558 1.00 0.00 C ATOM 591 CD ARG A 43 60.366 -8.737 -6.005 1.00 0.00 C ATOM 592 NE ARG A 43 59.637 -8.367 -7.265 1.00 0.00 N ATOM 593 CZ ARG A 43 58.583 -9.039 -7.696 1.00 0.00 C ATOM 594 NH1 ARG A 43 58.107 -10.092 -7.066 1.00 0.00 N ATOM 595 NH2 ARG A 43 57.997 -8.649 -8.794 1.00 0.00 N ATOM 0 H ARG A 43 63.291 -7.210 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 43 63.138 -5.963 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.718 -8.533 -4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.376 -8.190 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.369 -6.690 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.699 -7.072 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.072 -9.548 -6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.672 -9.082 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 43 59.967 -7.569 -7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 43 58.554 -10.419 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 43 57.291 -10.581 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 43 58.353 -7.840 -9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 43 57.182 -9.153 -9.144 1.00 0.00 H new ATOM 609 N THR A 44 61.121 -4.629 -4.001 1.00 0.00 N ATOM 610 CA THR A 44 60.213 -3.567 -3.429 1.00 0.00 C ATOM 611 C THR A 44 59.056 -4.182 -2.626 1.00 0.00 C ATOM 612 O THR A 44 58.450 -5.152 -3.050 1.00 0.00 O ATOM 613 CB THR A 44 59.655 -2.806 -4.639 1.00 0.00 C ATOM 614 OG1 THR A 44 60.713 -2.503 -5.537 1.00 0.00 O ATOM 615 CG2 THR A 44 58.999 -1.506 -4.169 1.00 0.00 C ATOM 0 H THR A 44 61.258 -4.571 -5.010 1.00 0.00 H new ATOM 0 HA THR A 44 60.761 -2.921 -2.743 1.00 0.00 H new ATOM 0 HB THR A 44 58.913 -3.425 -5.145 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.357 -2.018 -6.311 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.603 -0.966 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.186 -1.737 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.740 -0.887 -3.662 1.00 0.00 H new ATOM 623 N GLY A 45 58.756 -3.619 -1.477 1.00 0.00 N ATOM 624 CA GLY A 45 57.577 -4.077 -0.676 1.00 0.00 C ATOM 625 C GLY A 45 58.002 -5.031 0.451 1.00 0.00 C ATOM 626 O GLY A 45 57.244 -5.246 1.382 1.00 0.00 O ATOM 0 H GLY A 45 59.284 -2.854 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.067 -3.213 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.864 -4.579 -1.330 1.00 0.00 H new ATOM 630 N ASP A 46 59.191 -5.604 0.385 1.00 0.00 N ATOM 631 CA ASP A 46 59.671 -6.507 1.492 1.00 0.00 C ATOM 632 C ASP A 46 59.822 -5.726 2.802 1.00 0.00 C ATOM 633 O ASP A 46 60.061 -4.532 2.790 1.00 0.00 O ATOM 634 CB ASP A 46 61.037 -7.041 1.046 1.00 0.00 C ATOM 635 CG ASP A 46 60.862 -8.015 -0.122 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.930 -8.803 -0.084 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.672 -7.961 -1.032 1.00 0.00 O ATOM 0 H ASP A 46 59.847 -5.485 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 46 58.960 -7.313 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.680 -6.213 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.530 -7.543 1.878 1.00 0.00 H new ATOM 642 N VAL A 47 59.686 -6.401 3.921 1.00 0.00 N ATOM 643 CA VAL A 47 59.889 -5.739 5.251 1.00 0.00 C ATOM 644 C VAL A 47 60.789 -6.627 6.123 1.00 0.00 C ATOM 645 O VAL A 47 60.540 -7.811 6.268 1.00 0.00 O ATOM 646 CB VAL A 47 58.483 -5.595 5.868 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.570 -4.895 7.230 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.585 -4.754 4.950 1.00 0.00 C ATOM 0 H VAL A 47 59.441 -7.390 3.970 1.00 0.00 H new ATOM 0 HA VAL A 47 60.373 -4.766 5.166 1.00 0.00 H new ATOM 0 HB VAL A 47 58.063 -6.593 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.571 -4.800 7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.195 -5.483 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.006 -3.904 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.595 -4.660 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.021 -3.763 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.500 -5.241 3.979 1.00 0.00 H new ATOM 658 N ILE A 48 61.824 -6.055 6.696 1.00 0.00 N ATOM 659 CA ILE A 48 62.763 -6.847 7.556 1.00 0.00 C ATOM 660 C ILE A 48 63.138 -6.050 8.809 1.00 0.00 C ATOM 661 O ILE A 48 63.229 -4.836 8.771 1.00 0.00 O ATOM 662 CB ILE A 48 64.007 -7.147 6.691 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.665 -5.850 6.178 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.596 -8.017 5.498 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.684 -5.320 7.199 1.00 0.00 C ATOM 0 H ILE A 48 62.059 -5.067 6.604 1.00 0.00 H new ATOM 0 HA ILE A 48 62.303 -7.774 7.898 1.00 0.00 H new ATOM 0 HB ILE A 48 64.734 -7.672 7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.161 -6.039 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.900 -5.096 5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.472 -8.231 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.169 -8.952 5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.855 -7.487 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.137 -4.405 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.179 -5.110 8.142 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.459 -6.069 7.361 1.00 0.00 H new ATOM 677 N GLY A 49 63.349 -6.732 9.915 1.00 0.00 N ATOM 678 CA GLY A 49 63.698 -6.039 11.195 1.00 0.00 C ATOM 679 C GLY A 49 65.165 -6.308 11.540 1.00 0.00 C ATOM 680 O GLY A 49 65.650 -7.415 11.380 1.00 0.00 O ATOM 0 H GLY A 49 63.293 -7.748 9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.527 -4.967 11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.054 -6.393 12.000 1.00 0.00 H new ATOM 684 N ILE A 50 65.866 -5.300 12.008 1.00 0.00 N ATOM 685 CA ILE A 50 67.290 -5.484 12.442 1.00 0.00 C ATOM 686 C ILE A 50 67.463 -4.921 13.861 1.00 0.00 C ATOM 687 O ILE A 50 67.031 -3.819 14.150 1.00 0.00 O ATOM 688 CB ILE A 50 68.143 -4.702 11.421 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.928 -5.267 10.010 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.633 -4.822 11.772 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.488 -4.289 8.974 1.00 0.00 C ATOM 0 H ILE A 50 65.509 -4.350 12.109 1.00 0.00 H new ATOM 0 HA ILE A 50 67.589 -6.532 12.471 1.00 0.00 H new ATOM 0 HB ILE A 50 67.838 -3.656 11.453 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.421 -6.234 9.916 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.865 -5.432 9.832 1.00 0.00 H new ATOM 0 HG21 ILE A 50 70.224 -4.266 11.044 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.806 -4.414 12.768 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.928 -5.871 11.753 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.334 -4.692 7.973 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.974 -3.332 9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.555 -4.146 9.148 1.00 0.00 H new ATOM 703 N SER A 51 68.085 -5.680 14.736 1.00 0.00 N ATOM 704 CA SER A 51 68.433 -5.155 16.095 1.00 0.00 C ATOM 705 C SER A 51 69.809 -4.482 16.066 1.00 0.00 C ATOM 706 O SER A 51 70.795 -5.098 15.700 1.00 0.00 O ATOM 707 CB SER A 51 68.459 -6.383 17.010 1.00 0.00 C ATOM 708 OG SER A 51 69.543 -7.223 16.640 1.00 0.00 O ATOM 0 H SER A 51 68.367 -6.645 14.564 1.00 0.00 H new ATOM 0 HA SER A 51 67.718 -4.408 16.439 1.00 0.00 H new ATOM 0 HB2 SER A 51 68.563 -6.073 18.050 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.519 -6.928 16.932 1.00 0.00 H new ATOM 0 HG SER A 51 70.154 -6.729 16.055 1.00 0.00 H new ATOM 714 N ILE A 52 69.874 -3.227 16.450 1.00 0.00 N ATOM 715 CA ILE A 52 71.182 -2.495 16.481 1.00 0.00 C ATOM 716 C ILE A 52 71.364 -1.836 17.857 1.00 0.00 C ATOM 717 O ILE A 52 70.476 -1.166 18.352 1.00 0.00 O ATOM 718 CB ILE A 52 71.094 -1.436 15.359 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.884 -2.121 14.001 1.00 0.00 C ATOM 720 CG2 ILE A 52 72.393 -0.620 15.295 1.00 0.00 C ATOM 721 CD1 ILE A 52 70.452 -1.082 12.965 1.00 0.00 C ATOM 0 H ILE A 52 69.069 -2.674 16.746 1.00 0.00 H new ATOM 0 HA ILE A 52 72.036 -3.154 16.324 1.00 0.00 H new ATOM 0 HB ILE A 52 70.253 -0.778 15.579 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.806 -2.607 13.681 1.00 0.00 H new ATOM 0 HG13 ILE A 52 70.126 -2.900 14.088 1.00 0.00 H new ATOM 0 HG21 ILE A 52 72.318 0.122 14.500 1.00 0.00 H new ATOM 0 HG22 ILE A 52 72.554 -0.116 16.248 1.00 0.00 H new ATOM 0 HG23 ILE A 52 73.231 -1.286 15.091 1.00 0.00 H new ATOM 0 HD11 ILE A 52 70.303 -1.569 12.001 1.00 0.00 H new ATOM 0 HD12 ILE A 52 69.520 -0.616 13.284 1.00 0.00 H new ATOM 0 HD13 ILE A 52 71.225 -0.319 12.870 1.00 0.00 H new ATOM 733 N LEU A 53 72.517 -2.026 18.472 1.00 0.00 N ATOM 734 CA LEU A 53 72.842 -1.370 19.792 1.00 0.00 C ATOM 735 C LEU A 53 71.738 -1.612 20.835 1.00 0.00 C ATOM 736 O LEU A 53 71.483 -0.772 21.681 1.00 0.00 O ATOM 737 CB LEU A 53 72.982 0.128 19.491 1.00 0.00 C ATOM 738 CG LEU A 53 74.195 0.357 18.587 1.00 0.00 C ATOM 739 CD1 LEU A 53 74.149 1.779 18.022 1.00 0.00 C ATOM 740 CD2 LEU A 53 75.478 0.175 19.401 1.00 0.00 C ATOM 0 H LEU A 53 73.261 -2.620 18.107 1.00 0.00 H new ATOM 0 HA LEU A 53 73.755 -1.787 20.218 1.00 0.00 H new ATOM 0 HB2 LEU A 53 72.079 0.498 19.006 1.00 0.00 H new ATOM 0 HB3 LEU A 53 73.097 0.687 20.420 1.00 0.00 H new ATOM 0 HG LEU A 53 74.178 -0.361 17.767 1.00 0.00 H new ATOM 0 HD11 LEU A 53 75.013 1.943 17.378 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.235 1.911 17.443 1.00 0.00 H new ATOM 0 HD13 LEU A 53 74.166 2.497 18.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 76.343 0.338 18.758 1.00 0.00 H new ATOM 0 HD22 LEU A 53 75.494 0.894 20.220 1.00 0.00 H new ATOM 0 HD23 LEU A 53 75.512 -0.837 19.805 1.00 0.00 H new ATOM 752 N GLY A 54 71.091 -2.754 20.770 1.00 0.00 N ATOM 753 CA GLY A 54 70.058 -3.115 21.791 1.00 0.00 C ATOM 754 C GLY A 54 68.733 -2.389 21.504 1.00 0.00 C ATOM 755 O GLY A 54 67.939 -2.187 22.406 1.00 0.00 O ATOM 0 H GLY A 54 71.238 -3.457 20.045 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.896 -4.193 21.786 1.00 0.00 H new ATOM 0 HA3 GLY A 54 70.415 -2.850 22.786 1.00 0.00 H new ATOM 759 N LYS A 55 68.490 -1.998 20.266 1.00 0.00 N ATOM 760 CA LYS A 55 67.198 -1.331 19.913 1.00 0.00 C ATOM 761 C LYS A 55 66.676 -1.873 18.579 1.00 0.00 C ATOM 762 O LYS A 55 67.381 -1.860 17.586 1.00 0.00 O ATOM 763 CB LYS A 55 67.540 0.155 19.792 1.00 0.00 C ATOM 764 CG LYS A 55 66.250 0.969 19.664 1.00 0.00 C ATOM 765 CD LYS A 55 66.596 2.448 19.478 1.00 0.00 C ATOM 766 CE LYS A 55 65.311 3.279 19.495 1.00 0.00 C ATOM 767 NZ LYS A 55 64.712 3.086 18.145 1.00 0.00 N ATOM 0 H LYS A 55 69.138 -2.116 19.487 1.00 0.00 H new ATOM 0 HA LYS A 55 66.421 -1.510 20.656 1.00 0.00 H new ATOM 0 HB2 LYS A 55 68.103 0.482 20.666 1.00 0.00 H new ATOM 0 HB3 LYS A 55 68.176 0.323 18.923 1.00 0.00 H new ATOM 0 HG2 LYS A 55 65.665 0.612 18.816 1.00 0.00 H new ATOM 0 HG3 LYS A 55 65.635 0.838 20.554 1.00 0.00 H new ATOM 0 HD2 LYS A 55 67.266 2.778 20.272 1.00 0.00 H new ATOM 0 HD3 LYS A 55 67.123 2.593 18.535 1.00 0.00 H new ATOM 0 HE2 LYS A 55 64.633 2.943 20.280 1.00 0.00 H new ATOM 0 HE3 LYS A 55 65.523 4.331 19.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 64.599 4.009 17.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 65.336 2.484 17.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 63.782 2.630 18.240 1.00 0.00 H new ATOM 781 N GLU A 56 65.451 -2.350 18.560 1.00 0.00 N ATOM 782 CA GLU A 56 64.872 -2.927 17.301 1.00 0.00 C ATOM 783 C GLU A 56 64.361 -1.809 16.387 1.00 0.00 C ATOM 784 O GLU A 56 63.640 -0.928 16.824 1.00 0.00 O ATOM 785 CB GLU A 56 63.708 -3.816 17.752 1.00 0.00 C ATOM 786 CG GLU A 56 63.232 -4.671 16.577 1.00 0.00 C ATOM 787 CD GLU A 56 64.264 -5.762 16.279 1.00 0.00 C ATOM 788 OE1 GLU A 56 64.755 -6.363 17.222 1.00 0.00 O ATOM 789 OE2 GLU A 56 64.543 -5.984 15.112 1.00 0.00 O ATOM 0 H GLU A 56 64.825 -2.364 19.365 1.00 0.00 H new ATOM 0 HA GLU A 56 65.616 -3.489 16.737 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.024 -4.456 18.576 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.889 -3.200 18.122 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.268 -5.123 16.811 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.085 -4.046 15.696 1.00 0.00 H new ATOM 796 N VAL A 57 64.734 -1.843 15.127 1.00 0.00 N ATOM 797 CA VAL A 57 64.165 -0.887 14.126 1.00 0.00 C ATOM 798 C VAL A 57 63.641 -1.659 12.904 1.00 0.00 C ATOM 799 O VAL A 57 64.320 -2.521 12.373 1.00 0.00 O ATOM 800 CB VAL A 57 65.326 0.064 13.762 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.497 -0.705 13.131 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.837 1.134 12.778 1.00 0.00 C ATOM 0 H VAL A 57 65.416 -2.500 14.748 1.00 0.00 H new ATOM 0 HA VAL A 57 63.316 -0.324 14.514 1.00 0.00 H new ATOM 0 HB VAL A 57 65.673 0.535 14.681 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.299 -0.009 12.885 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.866 -1.449 13.837 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.158 -1.203 12.223 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.662 1.801 12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.469 0.654 11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.032 1.709 13.236 1.00 0.00 H new ATOM 812 N LYS A 58 62.438 -1.352 12.471 1.00 0.00 N ATOM 813 CA LYS A 58 61.863 -2.017 11.259 1.00 0.00 C ATOM 814 C LYS A 58 62.130 -1.166 10.015 1.00 0.00 C ATOM 815 O LYS A 58 61.887 0.028 10.014 1.00 0.00 O ATOM 816 CB LYS A 58 60.358 -2.112 11.527 1.00 0.00 C ATOM 817 CG LYS A 58 60.103 -3.078 12.687 1.00 0.00 C ATOM 818 CD LYS A 58 58.596 -3.239 12.895 1.00 0.00 C ATOM 819 CE LYS A 58 58.341 -4.099 14.135 1.00 0.00 C ATOM 820 NZ LYS A 58 56.996 -4.700 13.914 1.00 0.00 N ATOM 0 H LYS A 58 61.827 -0.664 12.911 1.00 0.00 H new ATOM 0 HA LYS A 58 62.306 -2.997 11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.958 -1.127 11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.840 -2.457 10.632 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.557 -4.046 12.475 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.568 -2.701 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 58 58.128 -2.262 13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 58 58.145 -3.703 12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 58 59.105 -4.869 14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.361 -3.498 15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.749 -5.305 14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 56.289 -3.943 13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.010 -5.272 13.046 1.00 0.00 H new ATOM 834 N PHE A 59 62.624 -1.779 8.961 1.00 0.00 N ATOM 835 CA PHE A 59 62.882 -1.036 7.689 1.00 0.00 C ATOM 836 C PHE A 59 61.997 -1.588 6.568 1.00 0.00 C ATOM 837 O PHE A 59 61.918 -2.788 6.372 1.00 0.00 O ATOM 838 CB PHE A 59 64.358 -1.289 7.371 1.00 0.00 C ATOM 839 CG PHE A 59 65.312 -0.690 8.379 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.191 0.684 8.754 1.00 0.00 C ATOM 841 CD2 PHE A 59 66.342 -1.498 8.953 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.097 1.250 9.704 1.00 0.00 C ATOM 843 CE2 PHE A 59 67.248 -0.934 9.904 1.00 0.00 C ATOM 844 CZ PHE A 59 67.125 0.440 10.279 1.00 0.00 C ATOM 0 H PHE A 59 62.860 -2.771 8.931 1.00 0.00 H new ATOM 0 HA PHE A 59 62.660 0.027 7.782 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.529 -2.364 7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.583 -0.881 6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.414 1.295 8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 59 66.436 -2.535 8.668 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.005 2.288 9.987 1.00 0.00 H new ATOM 0 HE2 PHE A 59 68.025 -1.545 10.339 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.809 0.866 10.997 1.00 0.00 H new ATOM 854 N LYS A 60 61.335 -0.715 5.842 1.00 0.00 N ATOM 855 CA LYS A 60 60.565 -1.147 4.636 1.00 0.00 C ATOM 856 C LYS A 60 61.359 -0.833 3.366 1.00 0.00 C ATOM 857 O LYS A 60 61.966 0.219 3.257 1.00 0.00 O ATOM 858 CB LYS A 60 59.271 -0.333 4.670 1.00 0.00 C ATOM 859 CG LYS A 60 58.297 -0.890 3.629 1.00 0.00 C ATOM 860 CD LYS A 60 57.039 -0.021 3.584 1.00 0.00 C ATOM 861 CE LYS A 60 56.025 -0.644 2.621 1.00 0.00 C ATOM 862 NZ LYS A 60 55.168 0.492 2.178 1.00 0.00 N ATOM 0 H LYS A 60 61.297 0.285 6.038 1.00 0.00 H new ATOM 0 HA LYS A 60 60.369 -2.219 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.825 -0.379 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.482 0.716 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.771 -0.911 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.032 -1.918 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.606 0.063 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.292 0.988 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.523 -1.117 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.434 -1.416 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.447 0.144 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.702 0.918 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.757 1.208 1.706 1.00 0.00 H new ATOM 876 N VAL A 61 61.355 -1.739 2.414 1.00 0.00 N ATOM 877 CA VAL A 61 62.107 -1.516 1.134 1.00 0.00 C ATOM 878 C VAL A 61 61.260 -0.642 0.202 1.00 0.00 C ATOM 879 O VAL A 61 60.227 -1.070 -0.283 1.00 0.00 O ATOM 880 CB VAL A 61 62.344 -2.913 0.523 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.164 -2.791 -0.766 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.117 -3.800 1.510 1.00 0.00 C ATOM 0 H VAL A 61 60.860 -2.629 2.469 1.00 0.00 H new ATOM 0 HA VAL A 61 63.057 -1.005 1.294 1.00 0.00 H new ATOM 0 HB VAL A 61 61.374 -3.360 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.326 -3.782 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.624 -2.174 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.126 -2.330 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.278 -4.783 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.080 -3.341 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.543 -3.906 2.430 1.00 0.00 H new ATOM 892 N VAL A 62 61.701 0.569 -0.047 1.00 0.00 N ATOM 893 CA VAL A 62 60.857 1.556 -0.796 1.00 0.00 C ATOM 894 C VAL A 62 60.956 1.265 -2.297 1.00 0.00 C ATOM 895 O VAL A 62 59.961 1.289 -3.002 1.00 0.00 O ATOM 896 CB VAL A 62 61.429 2.952 -0.466 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.600 4.042 -1.157 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.384 3.195 1.047 1.00 0.00 C ATOM 0 H VAL A 62 62.616 0.918 0.238 1.00 0.00 H new ATOM 0 HA VAL A 62 59.805 1.497 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 62 62.459 2.990 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 62 61.014 5.021 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.628 3.891 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.568 3.989 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.790 4.182 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.352 3.140 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.978 2.436 1.555 1.00 0.00 H new ATOM 908 N GLN A 63 62.149 0.991 -2.779 1.00 0.00 N ATOM 909 CA GLN A 63 62.341 0.714 -4.239 1.00 0.00 C ATOM 910 C GLN A 63 63.698 0.049 -4.487 1.00 0.00 C ATOM 911 O GLN A 63 64.716 0.509 -4.000 1.00 0.00 O ATOM 912 CB GLN A 63 62.286 2.084 -4.921 1.00 0.00 C ATOM 913 CG GLN A 63 62.190 1.899 -6.438 1.00 0.00 C ATOM 914 CD GLN A 63 61.558 3.142 -7.070 1.00 0.00 C ATOM 915 OE1 GLN A 63 62.025 4.324 -6.769 1.00 0.00 O flip ATOM 916 NE2 GLN A 63 60.629 3.036 -7.846 1.00 0.00 N flip ATOM 0 H GLN A 63 63.001 0.948 -2.219 1.00 0.00 H new ATOM 0 HA GLN A 63 61.581 0.035 -4.625 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.427 2.648 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.175 2.662 -4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 63 63.182 1.730 -6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.592 1.017 -6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.264 2.113 -8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 63 60.214 3.870 -8.262 1.00 0.00 H new ATOM 925 N ALA A 64 63.705 -1.029 -5.240 1.00 0.00 N ATOM 926 CA ALA A 64 64.991 -1.665 -5.663 1.00 0.00 C ATOM 927 C ALA A 64 65.296 -1.311 -7.122 1.00 0.00 C ATOM 928 O ALA A 64 64.425 -1.375 -7.972 1.00 0.00 O ATOM 929 CB ALA A 64 64.757 -3.169 -5.512 1.00 0.00 C ATOM 0 H ALA A 64 62.865 -1.497 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 64 65.839 -1.324 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.658 -3.709 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.518 -3.398 -4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.928 -3.474 -6.151 1.00 0.00 H new ATOM 935 N TYR A 65 66.523 -0.938 -7.409 1.00 0.00 N ATOM 936 CA TYR A 65 66.915 -0.584 -8.809 1.00 0.00 C ATOM 937 C TYR A 65 68.193 -1.351 -9.213 1.00 0.00 C ATOM 938 O TYR A 65 69.222 -1.124 -8.609 1.00 0.00 O ATOM 939 CB TYR A 65 67.198 0.920 -8.764 1.00 0.00 C ATOM 940 CG TYR A 65 65.968 1.778 -8.954 1.00 0.00 C ATOM 941 CD1 TYR A 65 65.093 1.541 -10.060 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.683 2.830 -8.030 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.932 2.356 -10.241 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.523 3.646 -8.211 1.00 0.00 C ATOM 945 CZ TYR A 65 63.648 3.409 -9.317 1.00 0.00 C ATOM 946 OH TYR A 65 62.528 4.196 -9.492 1.00 0.00 O ATOM 0 H TYR A 65 67.275 -0.864 -6.724 1.00 0.00 H new ATOM 0 HA TYR A 65 66.142 -0.841 -9.533 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.656 1.166 -7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.925 1.167 -9.538 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.309 0.746 -10.759 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.344 3.009 -7.195 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.270 2.176 -11.075 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.308 4.441 -7.513 1.00 0.00 H new ATOM 0 HH TYR A 65 62.411 4.777 -8.712 1.00 0.00 H new ATOM 956 N PRO A 66 68.140 -2.233 -10.206 1.00 0.00 N ATOM 957 CA PRO A 66 66.874 -2.814 -10.767 1.00 0.00 C ATOM 958 C PRO A 66 66.261 -3.804 -9.773 1.00 0.00 C ATOM 959 O PRO A 66 66.926 -4.252 -8.858 1.00 0.00 O ATOM 960 CB PRO A 66 67.345 -3.537 -12.027 1.00 0.00 C ATOM 961 CG PRO A 66 68.765 -3.890 -11.743 1.00 0.00 C ATOM 962 CD PRO A 66 69.319 -2.776 -10.900 1.00 0.00 C ATOM 0 HA PRO A 66 66.108 -2.066 -10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.746 -4.426 -12.222 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.263 -2.898 -12.906 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.831 -4.843 -11.219 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.331 -3.995 -12.668 1.00 0.00 H new ATOM 0 HD2 PRO A 66 70.064 -3.143 -10.194 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.806 -2.017 -11.512 1.00 0.00 H new ATOM 970 N SER A 67 65.004 -4.145 -9.952 1.00 0.00 N ATOM 971 CA SER A 67 64.343 -5.125 -9.035 1.00 0.00 C ATOM 972 C SER A 67 64.256 -6.510 -9.713 1.00 0.00 C ATOM 973 O SER A 67 64.045 -6.567 -10.909 1.00 0.00 O ATOM 974 CB SER A 67 62.940 -4.565 -8.800 1.00 0.00 C ATOM 975 OG SER A 67 63.010 -3.487 -7.878 1.00 0.00 O ATOM 0 H SER A 67 64.408 -3.784 -10.697 1.00 0.00 H new ATOM 0 HA SER A 67 64.895 -5.254 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.510 -4.225 -9.742 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.285 -5.346 -8.414 1.00 0.00 H new ATOM 0 HG SER A 67 63.486 -2.735 -8.289 1.00 0.00 H new ATOM 981 N PRO A 68 64.414 -7.597 -8.968 1.00 0.00 N ATOM 982 CA PRO A 68 65.162 -7.627 -7.667 1.00 0.00 C ATOM 983 C PRO A 68 66.669 -7.474 -7.909 1.00 0.00 C ATOM 984 O PRO A 68 67.142 -7.643 -9.019 1.00 0.00 O ATOM 985 CB PRO A 68 64.843 -9.012 -7.105 1.00 0.00 C ATOM 986 CG PRO A 68 64.549 -9.840 -8.309 1.00 0.00 C ATOM 987 CD PRO A 68 63.882 -8.928 -9.299 1.00 0.00 C ATOM 0 HA PRO A 68 64.879 -6.819 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.684 -9.415 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.990 -8.979 -6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.465 -10.260 -8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.900 -10.678 -8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.120 -9.210 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.797 -8.960 -9.203 1.00 0.00 H new ATOM 995 N LEU A 69 67.416 -7.153 -6.874 1.00 0.00 N ATOM 996 CA LEU A 69 68.910 -7.119 -6.981 1.00 0.00 C ATOM 997 C LEU A 69 69.552 -7.640 -5.688 1.00 0.00 C ATOM 998 O LEU A 69 68.941 -7.604 -4.636 1.00 0.00 O ATOM 999 CB LEU A 69 69.281 -5.646 -7.239 1.00 0.00 C ATOM 1000 CG LEU A 69 68.819 -4.737 -6.081 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.916 -4.669 -5.008 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.528 -3.322 -6.609 1.00 0.00 C ATOM 0 H LEU A 69 67.049 -6.912 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 69 69.274 -7.759 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.360 -5.558 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.824 -5.312 -8.170 1.00 0.00 H new ATOM 0 HG LEU A 69 67.910 -5.151 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.587 -4.026 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.113 -5.670 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.828 -4.262 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.202 -2.686 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.433 -2.906 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.743 -3.369 -7.363 1.00 0.00 H new ATOM 1014 N ARG A 70 70.769 -8.126 -5.772 1.00 0.00 N ATOM 1015 CA ARG A 70 71.540 -8.476 -4.538 1.00 0.00 C ATOM 1016 C ARG A 70 72.347 -7.264 -4.067 1.00 0.00 C ATOM 1017 O ARG A 70 72.894 -6.527 -4.870 1.00 0.00 O ATOM 1018 CB ARG A 70 72.475 -9.623 -4.941 1.00 0.00 C ATOM 1019 CG ARG A 70 71.783 -10.967 -4.695 1.00 0.00 C ATOM 1020 CD ARG A 70 72.544 -12.077 -5.429 1.00 0.00 C ATOM 1021 NE ARG A 70 71.764 -13.337 -5.184 1.00 0.00 N ATOM 1022 CZ ARG A 70 72.312 -14.537 -5.278 1.00 0.00 C ATOM 1023 NH1 ARG A 70 73.572 -14.719 -5.608 1.00 0.00 N ATOM 1024 NH2 ARG A 70 71.571 -15.585 -5.038 1.00 0.00 N ATOM 0 H ARG A 70 71.263 -8.296 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 70 70.885 -8.769 -3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.747 -9.531 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.400 -9.569 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.749 -11.180 -3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.751 -10.926 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.616 -11.863 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.563 -12.168 -5.052 1.00 0.00 H new ATOM 0 HE ARG A 70 70.777 -13.265 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.169 -13.916 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 70 73.952 -15.664 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.590 -15.469 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 70 71.973 -16.520 -5.105 1.00 0.00 H new ATOM 1038 N VAL A 71 72.420 -7.061 -2.771 1.00 0.00 N ATOM 1039 CA VAL A 71 73.152 -5.874 -2.218 1.00 0.00 C ATOM 1040 C VAL A 71 74.656 -6.180 -2.187 1.00 0.00 C ATOM 1041 O VAL A 71 75.074 -7.189 -1.649 1.00 0.00 O ATOM 1042 CB VAL A 71 72.594 -5.652 -0.795 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.277 -4.447 -0.136 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.086 -5.381 -0.861 1.00 0.00 C ATOM 0 H VAL A 71 72.001 -7.670 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 71 73.014 -4.978 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 71 72.788 -6.550 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.873 -4.303 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.350 -4.627 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.094 -3.554 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.700 -5.225 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.902 -4.490 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.582 -6.235 -1.315 1.00 0.00 H new ATOM 1054 N GLU A 72 75.456 -5.311 -2.764 1.00 0.00 N ATOM 1055 CA GLU A 72 76.936 -5.521 -2.788 1.00 0.00 C ATOM 1056 C GLU A 72 77.656 -4.246 -2.340 1.00 0.00 C ATOM 1057 O GLU A 72 77.051 -3.191 -2.243 1.00 0.00 O ATOM 1058 CB GLU A 72 77.260 -5.841 -4.250 1.00 0.00 C ATOM 1059 CG GLU A 72 78.717 -6.296 -4.369 1.00 0.00 C ATOM 1060 CD GLU A 72 78.986 -6.793 -5.791 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.161 -7.528 -6.309 1.00 0.00 O ATOM 1062 OE2 GLU A 72 80.014 -6.430 -6.339 1.00 0.00 O ATOM 0 H GLU A 72 75.140 -4.457 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 72 77.257 -6.316 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.594 -6.622 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.092 -4.961 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.387 -5.470 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.920 -7.090 -3.651 1.00 0.00 H new ATOM 1069 N ASP A 73 78.941 -4.339 -2.068 1.00 0.00 N ATOM 1070 CA ASP A 73 79.743 -3.126 -1.671 1.00 0.00 C ATOM 1071 C ASP A 73 79.707 -2.054 -2.771 1.00 0.00 C ATOM 1072 O ASP A 73 79.824 -0.873 -2.489 1.00 0.00 O ATOM 1073 CB ASP A 73 81.181 -3.620 -1.470 1.00 0.00 C ATOM 1074 CG ASP A 73 81.233 -4.581 -0.280 1.00 0.00 C ATOM 1075 OD1 ASP A 73 80.635 -4.268 0.737 1.00 0.00 O ATOM 1076 OD2 ASP A 73 81.871 -5.613 -0.405 1.00 0.00 O ATOM 0 H ASP A 73 79.473 -5.208 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 73 79.336 -2.670 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.533 -4.122 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.846 -2.774 -1.296 1.00 0.00 H new ATOM 1081 N ARG A 74 79.546 -2.462 -4.011 1.00 0.00 N ATOM 1082 CA ARG A 74 79.453 -1.475 -5.140 1.00 0.00 C ATOM 1083 C ARG A 74 78.042 -0.867 -5.243 1.00 0.00 C ATOM 1084 O ARG A 74 77.871 0.188 -5.829 1.00 0.00 O ATOM 1085 CB ARG A 74 79.821 -2.250 -6.421 1.00 0.00 C ATOM 1086 CG ARG A 74 78.855 -3.420 -6.664 1.00 0.00 C ATOM 1087 CD ARG A 74 78.962 -3.874 -8.124 1.00 0.00 C ATOM 1088 NE ARG A 74 77.913 -4.936 -8.299 1.00 0.00 N ATOM 1089 CZ ARG A 74 77.412 -5.246 -9.483 1.00 0.00 C ATOM 1090 NH1 ARG A 74 77.806 -4.664 -10.596 1.00 0.00 N ATOM 1091 NH2 ARG A 74 76.495 -6.172 -9.551 1.00 0.00 N ATOM 0 H ARG A 74 79.475 -3.440 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 74 80.129 -0.635 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.799 -1.574 -7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 74 80.840 -2.628 -6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 74 79.093 -4.248 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 74 77.833 -3.114 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 74 78.793 -3.041 -8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 74 79.956 -4.266 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 74 77.576 -5.435 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 74 78.526 -3.942 -10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 74 77.391 -4.935 -11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 74 76.179 -6.640 -8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 74 76.094 -6.428 -10.453 1.00 0.00 H new ATOM 1105 N THR A 75 77.041 -1.521 -4.685 1.00 0.00 N ATOM 1106 CA THR A 75 75.649 -0.957 -4.716 1.00 0.00 C ATOM 1107 C THR A 75 75.499 0.131 -3.648 1.00 0.00 C ATOM 1108 O THR A 75 75.850 -0.070 -2.499 1.00 0.00 O ATOM 1109 CB THR A 75 74.714 -2.135 -4.416 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.040 -3.225 -5.265 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.263 -1.712 -4.661 1.00 0.00 C ATOM 0 H THR A 75 77.130 -2.420 -4.211 1.00 0.00 H new ATOM 0 HA THR A 75 75.418 -0.500 -5.678 1.00 0.00 H new ATOM 0 HB THR A 75 74.832 -2.437 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.842 -2.986 -6.195 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.599 -2.550 -4.448 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.013 -0.875 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.143 -1.410 -5.701 1.00 0.00 H new ATOM 1119 N LYS A 76 74.979 1.277 -4.030 1.00 0.00 N ATOM 1120 CA LYS A 76 74.823 2.413 -3.063 1.00 0.00 C ATOM 1121 C LYS A 76 73.466 2.323 -2.358 1.00 0.00 C ATOM 1122 O LYS A 76 72.493 1.879 -2.938 1.00 0.00 O ATOM 1123 CB LYS A 76 74.895 3.685 -3.916 1.00 0.00 C ATOM 1124 CG LYS A 76 76.294 3.822 -4.522 1.00 0.00 C ATOM 1125 CD LYS A 76 76.351 5.076 -5.397 1.00 0.00 C ATOM 1126 CE LYS A 76 77.535 4.970 -6.362 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.744 6.355 -6.866 1.00 0.00 N ATOM 0 H LYS A 76 74.654 1.474 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 76 75.591 2.399 -2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 76 74.147 3.646 -4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.666 4.558 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.040 3.884 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.532 2.940 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.421 5.186 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.455 5.964 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.425 4.595 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.319 4.281 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.541 6.365 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.883 6.682 -7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.955 6.987 -6.067 1.00 0.00 H new ATOM 1141 N ILE A 77 73.403 2.740 -1.112 1.00 0.00 N ATOM 1142 CA ILE A 77 72.109 2.698 -0.352 1.00 0.00 C ATOM 1143 C ILE A 77 71.806 4.092 0.218 1.00 0.00 C ATOM 1144 O ILE A 77 72.690 4.773 0.706 1.00 0.00 O ATOM 1145 CB ILE A 77 72.320 1.656 0.767 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.619 0.284 0.146 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.055 1.538 1.630 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.131 -0.674 1.225 1.00 0.00 C ATOM 0 H ILE A 77 74.196 3.109 -0.587 1.00 0.00 H new ATOM 0 HA ILE A 77 71.260 2.422 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 77 73.156 1.979 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.718 -0.121 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.363 0.387 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.218 0.800 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.831 2.505 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.217 1.226 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.341 -1.646 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.043 -0.272 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.373 -0.787 2.000 1.00 0.00 H new ATOM 1160 N THR A 78 70.559 4.506 0.151 1.00 0.00 N ATOM 1161 CA THR A 78 70.175 5.876 0.616 1.00 0.00 C ATOM 1162 C THR A 78 69.002 5.797 1.599 1.00 0.00 C ATOM 1163 O THR A 78 68.101 4.994 1.432 1.00 0.00 O ATOM 1164 CB THR A 78 69.759 6.620 -0.653 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.764 6.460 -1.644 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.581 8.107 -0.342 1.00 0.00 C ATOM 0 H THR A 78 69.786 3.946 -0.210 1.00 0.00 H new ATOM 0 HA THR A 78 70.990 6.377 1.137 1.00 0.00 H new ATOM 0 HB THR A 78 68.817 6.213 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.498 6.935 -2.459 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.284 8.635 -1.248 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.810 8.230 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.522 8.517 0.026 1.00 0.00 H new ATOM 1174 N LEU A 79 69.018 6.628 2.620 1.00 0.00 N ATOM 1175 CA LEU A 79 67.896 6.655 3.609 1.00 0.00 C ATOM 1176 C LEU A 79 66.935 7.805 3.292 1.00 0.00 C ATOM 1177 O LEU A 79 67.354 8.933 3.107 1.00 0.00 O ATOM 1178 CB LEU A 79 68.568 6.879 4.966 1.00 0.00 C ATOM 1179 CG LEU A 79 69.395 5.647 5.340 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.303 5.981 6.525 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.458 4.501 5.725 1.00 0.00 C ATOM 0 H LEU A 79 69.769 7.293 2.808 1.00 0.00 H new ATOM 0 HA LEU A 79 67.309 5.737 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.208 7.760 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.814 7.068 5.730 1.00 0.00 H new ATOM 0 HG LEU A 79 70.005 5.348 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.892 5.103 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.972 6.797 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.693 6.281 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.047 3.623 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.848 4.801 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.811 4.261 4.881 1.00 0.00 H new ATOM 1193 N VAL A 80 65.653 7.516 3.230 1.00 0.00 N ATOM 1194 CA VAL A 80 64.635 8.579 2.946 1.00 0.00 C ATOM 1195 C VAL A 80 64.072 9.113 4.272 1.00 0.00 C ATOM 1196 O VAL A 80 63.897 8.366 5.220 1.00 0.00 O ATOM 1197 CB VAL A 80 63.534 7.886 2.115 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.420 8.884 1.768 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.127 7.344 0.808 1.00 0.00 C ATOM 0 H VAL A 80 65.267 6.581 3.365 1.00 0.00 H new ATOM 0 HA VAL A 80 65.055 9.428 2.407 1.00 0.00 H new ATOM 0 HB VAL A 80 63.123 7.068 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.651 8.381 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 80 61.980 9.272 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 80 62.837 9.708 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.344 6.857 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.548 8.167 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 80 64.912 6.623 1.036 1.00 0.00 H new