USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=13 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 -33:sc= 0.248 USER MOD Set 1.2: A 75 THR OG1 : rot -72:sc= -0.32 USER MOD Set 2.1: A 63 GLN : amide:sc= -3.39 K(o=-3.4,f=-7.3!) USER MOD Set 2.2: A 65 TYR OH : rot 168:sc=-0.00218 USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.13) 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+ -145:sc= 0 (180deg=-0.0467) USER MOD Single : A 38 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0074) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.03 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.33 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0722) 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 67 SER OG : rot 13:sc= 0.144 USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= -0.23 (180deg=-0.279) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.737 -0.205 -9.481 1.00 0.00 N ATOM 76 CA SER A 13 72.609 -0.741 -8.657 1.00 0.00 C ATOM 77 C SER A 13 72.433 0.102 -7.392 1.00 0.00 C ATOM 78 O SER A 13 73.397 0.597 -6.832 1.00 0.00 O ATOM 79 CB SER A 13 73.022 -2.167 -8.298 1.00 0.00 C ATOM 80 OG SER A 13 74.347 -2.159 -7.782 1.00 0.00 O ATOM 0 HA SER A 13 71.659 -0.715 -9.191 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.335 -2.582 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.967 -2.806 -9.179 1.00 0.00 H new ATOM 0 HG SER A 13 74.867 -1.458 -8.228 1.00 0.00 H new ATOM 86 N GLU A 14 71.206 0.262 -6.944 1.00 0.00 N ATOM 87 CA GLU A 14 70.928 1.146 -5.769 1.00 0.00 C ATOM 88 C GLU A 14 69.664 0.685 -5.036 1.00 0.00 C ATOM 89 O GLU A 14 68.746 0.161 -5.642 1.00 0.00 O ATOM 90 CB GLU A 14 70.727 2.538 -6.368 1.00 0.00 C ATOM 91 CG GLU A 14 70.805 3.589 -5.259 1.00 0.00 C ATOM 92 CD GLU A 14 70.861 4.988 -5.880 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.098 5.240 -6.799 1.00 0.00 O ATOM 94 OE2 GLU A 14 71.667 5.783 -5.427 1.00 0.00 O ATOM 0 H GLU A 14 70.383 -0.186 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 14 71.735 1.126 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.489 2.734 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.760 2.594 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.938 3.506 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.688 3.418 -4.643 1.00 0.00 H new ATOM 101 N LEU A 15 69.622 0.880 -3.735 1.00 0.00 N ATOM 102 CA LEU A 15 68.398 0.542 -2.943 1.00 0.00 C ATOM 103 C LEU A 15 67.951 1.749 -2.112 1.00 0.00 C ATOM 104 O LEU A 15 68.752 2.377 -1.440 1.00 0.00 O ATOM 105 CB LEU A 15 68.826 -0.609 -2.029 1.00 0.00 C ATOM 106 CG LEU A 15 67.596 -1.203 -1.342 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.780 -2.004 -2.359 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.043 -2.128 -0.207 1.00 0.00 C ATOM 0 H LEU A 15 70.392 1.262 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 15 67.557 0.269 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.337 -1.377 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.534 -0.250 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 15 66.983 -0.398 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.903 -2.428 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.462 -1.347 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.393 -2.809 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.167 -2.552 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.656 -2.932 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.625 -1.559 0.518 1.00 0.00 H new ATOM 120 N LYS A 16 66.677 2.072 -2.161 1.00 0.00 N ATOM 121 CA LYS A 16 66.124 3.164 -1.300 1.00 0.00 C ATOM 122 C LYS A 16 65.375 2.564 -0.108 1.00 0.00 C ATOM 123 O LYS A 16 64.412 1.837 -0.281 1.00 0.00 O ATOM 124 CB LYS A 16 65.161 3.938 -2.211 1.00 0.00 C ATOM 125 CG LYS A 16 65.908 5.072 -2.923 1.00 0.00 C ATOM 126 CD LYS A 16 66.894 4.486 -3.935 1.00 0.00 C ATOM 127 CE LYS A 16 67.470 5.611 -4.798 1.00 0.00 C ATOM 128 NZ LYS A 16 66.441 5.853 -5.849 1.00 0.00 N ATOM 0 H LYS A 16 65.993 1.620 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 16 66.904 3.808 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.722 3.263 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.340 4.346 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.198 5.726 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.440 5.683 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 16 67.698 3.964 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.392 3.751 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.650 6.509 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 16 68.424 5.322 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.800 5.526 -6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.573 5.332 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 66.231 6.870 -5.902 1.00 0.00 H new ATOM 142 N LEU A 17 65.816 2.875 1.091 1.00 0.00 N ATOM 143 CA LEU A 17 65.166 2.322 2.321 1.00 0.00 C ATOM 144 C LEU A 17 64.551 3.451 3.152 1.00 0.00 C ATOM 145 O LEU A 17 64.991 4.585 3.086 1.00 0.00 O ATOM 146 CB LEU A 17 66.296 1.648 3.101 1.00 0.00 C ATOM 147 CG LEU A 17 66.789 0.418 2.337 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.166 0.012 2.865 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.804 -0.736 2.540 1.00 0.00 C ATOM 0 H LEU A 17 66.606 3.495 1.269 1.00 0.00 H new ATOM 0 HA LEU A 17 64.362 1.627 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 17 67.117 2.349 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.944 1.356 4.090 1.00 0.00 H new ATOM 0 HG LEU A 17 66.860 0.652 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.520 -0.865 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.867 0.834 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 17 68.094 -0.224 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.154 -1.613 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.734 -0.972 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.822 -0.446 2.167 1.00 0.00 H new ATOM 161 N LYS A 18 63.538 3.141 3.929 1.00 0.00 N ATOM 162 CA LYS A 18 62.953 4.144 4.873 1.00 0.00 C ATOM 163 C LYS A 18 62.717 3.496 6.253 1.00 0.00 C ATOM 164 O LYS A 18 62.157 2.417 6.309 1.00 0.00 O ATOM 165 CB LYS A 18 61.621 4.550 4.241 1.00 0.00 C ATOM 166 CG LYS A 18 61.035 5.741 5.002 1.00 0.00 C ATOM 167 CD LYS A 18 59.772 6.231 4.290 1.00 0.00 C ATOM 168 CE LYS A 18 59.219 7.458 5.016 1.00 0.00 C ATOM 169 NZ LYS A 18 57.928 7.758 4.335 1.00 0.00 N ATOM 0 H LYS A 18 63.088 2.226 3.948 1.00 0.00 H new ATOM 0 HA LYS A 18 63.610 5.000 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.769 4.812 3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.925 3.712 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.799 5.451 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.768 6.546 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 18 60.000 6.481 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 18 59.023 5.439 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 18 59.068 7.255 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.907 8.301 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.487 8.589 4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 58.104 7.954 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 57.291 6.940 4.423 1.00 0.00 H new ATOM 183 N PRO A 19 63.144 4.152 7.329 1.00 0.00 N ATOM 184 CA PRO A 19 62.858 3.624 8.692 1.00 0.00 C ATOM 185 C PRO A 19 61.390 3.866 9.057 1.00 0.00 C ATOM 186 O PRO A 19 60.829 4.896 8.725 1.00 0.00 O ATOM 187 CB PRO A 19 63.784 4.433 9.599 1.00 0.00 C ATOM 188 CG PRO A 19 64.019 5.713 8.868 1.00 0.00 C ATOM 189 CD PRO A 19 63.918 5.411 7.397 1.00 0.00 C ATOM 0 HA PRO A 19 63.023 2.550 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.326 4.612 10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.720 3.904 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.283 6.462 9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 19 65.001 6.120 9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.415 6.215 6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.904 5.295 6.947 1.00 0.00 H new ATOM 197 N LEU A 20 60.775 2.923 9.734 1.00 0.00 N ATOM 198 CA LEU A 20 59.353 3.100 10.184 1.00 0.00 C ATOM 199 C LEU A 20 59.216 3.983 11.463 1.00 0.00 C ATOM 200 O LEU A 20 58.386 4.875 11.427 1.00 0.00 O ATOM 201 CB LEU A 20 58.770 1.688 10.364 1.00 0.00 C ATOM 202 CG LEU A 20 58.581 1.037 8.992 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.316 -0.459 9.168 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.393 1.686 8.279 1.00 0.00 C ATOM 0 H LEU A 20 61.199 2.033 9.996 1.00 0.00 H new ATOM 0 HA LEU A 20 58.788 3.653 9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.438 1.083 10.977 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.816 1.741 10.888 1.00 0.00 H new ATOM 0 HG LEU A 20 59.483 1.177 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.181 -0.922 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.163 -0.921 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.415 -0.601 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.258 1.223 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.491 1.547 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.583 2.752 8.152 1.00 0.00 H new ATOM 216 N PRO A 21 59.974 3.768 12.558 1.00 0.00 N ATOM 217 CA PRO A 21 59.996 4.799 13.642 1.00 0.00 C ATOM 218 C PRO A 21 60.703 6.069 13.149 1.00 0.00 C ATOM 219 O PRO A 21 61.493 6.019 12.222 1.00 0.00 O ATOM 220 CB PRO A 21 60.781 4.145 14.781 1.00 0.00 C ATOM 221 CG PRO A 21 61.611 3.099 14.122 1.00 0.00 C ATOM 222 CD PRO A 21 60.831 2.615 12.934 1.00 0.00 C ATOM 0 HA PRO A 21 58.997 5.100 13.956 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.403 4.873 15.301 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.112 3.709 15.523 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.574 3.506 13.813 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.818 2.279 14.810 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.491 2.328 12.116 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.232 1.739 13.183 1.00 0.00 H new ATOM 230 N LYS A 22 60.420 7.194 13.768 1.00 0.00 N ATOM 231 CA LYS A 22 61.047 8.485 13.334 1.00 0.00 C ATOM 232 C LYS A 22 62.433 8.640 13.968 1.00 0.00 C ATOM 233 O LYS A 22 62.561 9.113 15.085 1.00 0.00 O ATOM 234 CB LYS A 22 60.102 9.588 13.825 1.00 0.00 C ATOM 235 CG LYS A 22 58.772 9.497 13.074 1.00 0.00 C ATOM 236 CD LYS A 22 57.865 10.655 13.497 1.00 0.00 C ATOM 237 CE LYS A 22 56.482 10.477 12.868 1.00 0.00 C ATOM 238 NZ LYS A 22 55.758 11.745 13.168 1.00 0.00 N ATOM 0 H LYS A 22 59.779 7.273 14.558 1.00 0.00 H new ATOM 0 HA LYS A 22 61.184 8.528 12.253 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.933 9.486 14.897 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.555 10.566 13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.947 9.532 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.287 8.545 13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.781 10.687 14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.299 11.604 13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.555 10.309 11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.963 9.616 13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.799 11.700 12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 55.698 11.875 14.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.271 12.546 12.747 1.00 0.00 H new ATOM 252 N VAL A 23 63.465 8.239 13.258 1.00 0.00 N ATOM 253 CA VAL A 23 64.860 8.364 13.786 1.00 0.00 C ATOM 254 C VAL A 23 65.838 8.656 12.635 1.00 0.00 C ATOM 255 O VAL A 23 65.693 8.128 11.546 1.00 0.00 O ATOM 256 CB VAL A 23 65.152 7.012 14.472 1.00 0.00 C ATOM 257 CG1 VAL A 23 65.096 5.853 13.465 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.540 7.049 15.123 1.00 0.00 C ATOM 0 H VAL A 23 63.397 7.827 12.327 1.00 0.00 H new ATOM 0 HA VAL A 23 64.975 9.188 14.490 1.00 0.00 H new ATOM 0 HB VAL A 23 64.388 6.848 15.232 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.306 4.915 13.978 1.00 0.00 H new ATOM 0 HG12 VAL A 23 64.103 5.808 13.017 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.839 6.013 12.684 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.741 6.093 15.606 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.295 7.236 14.359 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.572 7.845 15.867 1.00 0.00 H new ATOM 268 N GLU A 24 66.822 9.492 12.882 1.00 0.00 N ATOM 269 CA GLU A 24 67.853 9.796 11.842 1.00 0.00 C ATOM 270 C GLU A 24 69.216 9.247 12.276 1.00 0.00 C ATOM 271 O GLU A 24 69.767 9.673 13.276 1.00 0.00 O ATOM 272 CB GLU A 24 67.895 11.323 11.758 1.00 0.00 C ATOM 273 CG GLU A 24 66.579 11.842 11.173 1.00 0.00 C ATOM 274 CD GLU A 24 66.640 13.365 11.047 1.00 0.00 C ATOM 275 OE1 GLU A 24 66.584 14.028 12.070 1.00 0.00 O ATOM 276 OE2 GLU A 24 66.743 13.843 9.929 1.00 0.00 O ATOM 0 H GLU A 24 66.953 9.979 13.768 1.00 0.00 H new ATOM 0 HA GLU A 24 67.616 9.341 10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 24 68.056 11.747 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.732 11.640 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.401 11.393 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.745 11.553 11.813 1.00 0.00 H new ATOM 283 N LEU A 25 69.753 8.309 11.527 1.00 0.00 N ATOM 284 CA LEU A 25 71.056 7.675 11.909 1.00 0.00 C ATOM 285 C LEU A 25 72.228 8.411 11.228 1.00 0.00 C ATOM 286 O LEU A 25 72.094 8.814 10.088 1.00 0.00 O ATOM 287 CB LEU A 25 70.966 6.235 11.400 1.00 0.00 C ATOM 288 CG LEU A 25 69.929 5.466 12.221 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.615 4.136 11.530 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.484 5.193 13.622 1.00 0.00 C ATOM 0 H LEU A 25 69.341 7.955 10.664 1.00 0.00 H new ATOM 0 HA LEU A 25 71.232 7.718 12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.689 6.228 10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.939 5.750 11.477 1.00 0.00 H new ATOM 0 HG LEU A 25 69.018 6.059 12.301 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.876 3.588 12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.219 4.329 10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.526 3.544 11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.744 4.645 14.206 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.395 4.600 13.543 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.708 6.139 14.115 1.00 0.00 H new ATOM 302 N PRO A 26 73.346 8.573 11.932 1.00 0.00 N ATOM 303 CA PRO A 26 74.552 9.217 11.319 1.00 0.00 C ATOM 304 C PRO A 26 75.036 8.446 10.068 1.00 0.00 C ATOM 305 O PRO A 26 74.631 7.318 9.862 1.00 0.00 O ATOM 306 CB PRO A 26 75.604 9.156 12.430 1.00 0.00 C ATOM 307 CG PRO A 26 74.818 9.024 13.689 1.00 0.00 C ATOM 308 CD PRO A 26 73.609 8.207 13.340 1.00 0.00 C ATOM 0 HA PRO A 26 74.348 10.232 10.977 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.276 8.309 12.292 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.221 10.055 12.441 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.406 8.537 14.467 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.530 10.003 14.073 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.800 7.139 13.449 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.762 8.447 13.983 1.00 0.00 H new ATOM 316 N PRO A 27 75.890 9.075 9.271 1.00 0.00 N ATOM 317 CA PRO A 27 76.321 8.476 7.969 1.00 0.00 C ATOM 318 C PRO A 27 77.165 7.201 8.150 1.00 0.00 C ATOM 319 O PRO A 27 77.443 6.523 7.178 1.00 0.00 O ATOM 320 CB PRO A 27 77.160 9.585 7.316 1.00 0.00 C ATOM 321 CG PRO A 27 76.802 10.827 8.062 1.00 0.00 C ATOM 322 CD PRO A 27 76.530 10.391 9.468 1.00 0.00 C ATOM 0 HA PRO A 27 75.465 8.164 7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.226 9.371 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.930 9.681 6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.615 11.552 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.927 11.308 7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.446 10.314 10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.875 11.088 9.990 1.00 0.00 H new ATOM 330 N ASP A 28 77.582 6.872 9.358 1.00 0.00 N ATOM 331 CA ASP A 28 78.387 5.619 9.567 1.00 0.00 C ATOM 332 C ASP A 28 77.480 4.377 9.547 1.00 0.00 C ATOM 333 O ASP A 28 77.914 3.295 9.184 1.00 0.00 O ATOM 334 CB ASP A 28 79.098 5.778 10.924 1.00 0.00 C ATOM 335 CG ASP A 28 78.086 5.959 12.065 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.312 5.044 12.295 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.107 7.007 12.688 1.00 0.00 O ATOM 0 H ASP A 28 77.400 7.415 10.202 1.00 0.00 H new ATOM 0 HA ASP A 28 79.114 5.478 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.716 4.901 11.118 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.767 6.638 10.888 1.00 0.00 H new ATOM 342 N PHE A 29 76.225 4.527 9.926 1.00 0.00 N ATOM 343 CA PHE A 29 75.282 3.351 9.951 1.00 0.00 C ATOM 344 C PHE A 29 75.146 2.718 8.561 1.00 0.00 C ATOM 345 O PHE A 29 75.163 1.510 8.429 1.00 0.00 O ATOM 346 CB PHE A 29 73.931 3.901 10.425 1.00 0.00 C ATOM 347 CG PHE A 29 73.756 3.833 11.923 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.429 4.768 12.767 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.916 2.828 12.494 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.264 4.698 14.185 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.750 2.757 13.912 1.00 0.00 C ATOM 352 CZ PHE A 29 73.425 3.692 14.757 1.00 0.00 C ATOM 0 H PHE A 29 75.813 5.413 10.219 1.00 0.00 H new ATOM 0 HA PHE A 29 75.653 2.568 10.613 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.833 4.937 10.101 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.129 3.340 9.946 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.063 5.528 12.334 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.407 2.122 11.854 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.773 5.405 14.824 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.115 1.998 14.345 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.301 3.638 15.828 1.00 0.00 H new ATOM 362 N VAL A 30 75.022 3.526 7.528 1.00 0.00 N ATOM 363 CA VAL A 30 74.699 2.983 6.161 1.00 0.00 C ATOM 364 C VAL A 30 75.781 1.985 5.699 1.00 0.00 C ATOM 365 O VAL A 30 75.492 1.026 5.005 1.00 0.00 O ATOM 366 CB VAL A 30 74.603 4.213 5.229 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.958 4.926 5.114 1.00 0.00 C ATOM 368 CG2 VAL A 30 74.136 3.769 3.839 1.00 0.00 C ATOM 0 H VAL A 30 75.131 4.539 7.572 1.00 0.00 H new ATOM 0 HA VAL A 30 73.763 2.425 6.155 1.00 0.00 H new ATOM 0 HB VAL A 30 73.883 4.912 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.861 5.787 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.278 5.261 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.698 4.237 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 30 74.069 4.637 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.850 3.056 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.157 3.297 3.918 1.00 0.00 H new ATOM 378 N ASP A 31 77.016 2.214 6.095 1.00 0.00 N ATOM 379 CA ASP A 31 78.123 1.263 5.744 1.00 0.00 C ATOM 380 C ASP A 31 77.954 -0.044 6.523 1.00 0.00 C ATOM 381 O ASP A 31 78.134 -1.120 5.980 1.00 0.00 O ATOM 382 CB ASP A 31 79.426 1.961 6.150 1.00 0.00 C ATOM 383 CG ASP A 31 80.615 1.223 5.532 1.00 0.00 C ATOM 384 OD1 ASP A 31 80.633 0.006 5.599 1.00 0.00 O ATOM 385 OD2 ASP A 31 81.490 1.890 5.003 1.00 0.00 O ATOM 0 H ASP A 31 77.304 3.021 6.648 1.00 0.00 H new ATOM 0 HA ASP A 31 78.121 1.015 4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.415 2.998 5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 31 79.519 1.977 7.236 1.00 0.00 H new ATOM 390 N VAL A 32 77.603 0.048 7.789 1.00 0.00 N ATOM 391 CA VAL A 32 77.474 -1.187 8.640 1.00 0.00 C ATOM 392 C VAL A 32 76.271 -2.015 8.162 1.00 0.00 C ATOM 393 O VAL A 32 76.330 -3.231 8.116 1.00 0.00 O ATOM 394 CB VAL A 32 77.279 -0.699 10.092 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.175 -1.896 11.046 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.472 0.164 10.523 1.00 0.00 C ATOM 0 H VAL A 32 77.400 0.924 8.270 1.00 0.00 H new ATOM 0 HA VAL A 32 78.354 -1.826 8.572 1.00 0.00 H new ATOM 0 HB VAL A 32 76.361 -0.113 10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.038 -1.537 12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.324 -2.515 10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.089 -2.487 10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.324 0.503 11.548 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.387 -0.425 10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.553 1.028 9.863 1.00 0.00 H new ATOM 406 N ILE A 33 75.187 -1.358 7.805 1.00 0.00 N ATOM 407 CA ILE A 33 73.984 -2.083 7.262 1.00 0.00 C ATOM 408 C ILE A 33 74.343 -2.777 5.935 1.00 0.00 C ATOM 409 O ILE A 33 73.959 -3.909 5.702 1.00 0.00 O ATOM 410 CB ILE A 33 72.897 -0.997 7.063 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.535 -0.346 8.418 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.632 -1.592 6.422 1.00 0.00 C ATOM 413 CD1 ILE A 33 71.978 -1.378 9.414 1.00 0.00 C ATOM 0 H ILE A 33 75.083 -0.345 7.867 1.00 0.00 H new ATOM 0 HA ILE A 33 73.631 -2.865 7.935 1.00 0.00 H new ATOM 0 HB ILE A 33 73.301 -0.238 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.420 0.128 8.842 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.798 0.441 8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.886 -0.808 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.882 -2.017 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.230 -2.373 7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.735 -0.882 10.354 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.078 -1.833 9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.726 -2.151 9.594 1.00 0.00 H new ATOM 425 N ARG A 34 75.077 -2.102 5.074 1.00 0.00 N ATOM 426 CA ARG A 34 75.501 -2.715 3.764 1.00 0.00 C ATOM 427 C ARG A 34 76.314 -4.001 3.988 1.00 0.00 C ATOM 428 O ARG A 34 76.125 -4.982 3.292 1.00 0.00 O ATOM 429 CB ARG A 34 76.370 -1.659 3.069 1.00 0.00 C ATOM 430 CG ARG A 34 76.619 -2.074 1.617 1.00 0.00 C ATOM 431 CD ARG A 34 77.486 -1.016 0.925 1.00 0.00 C ATOM 432 NE ARG A 34 78.847 -1.134 1.551 1.00 0.00 N ATOM 433 CZ ARG A 34 79.720 -0.141 1.537 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.470 1.016 0.962 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.879 -0.317 2.110 1.00 0.00 N ATOM 0 H ARG A 34 75.403 -1.147 5.223 1.00 0.00 H new ATOM 0 HA ARG A 34 74.633 -2.991 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.875 -0.688 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.319 -1.551 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.115 -3.044 1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.671 -2.183 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.533 -1.190 -0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.074 -0.017 1.069 1.00 0.00 H new ATOM 0 HE ARG A 34 79.107 -2.011 2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.573 1.174 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.173 1.755 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 34 81.097 -1.208 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.567 0.436 2.111 1.00 0.00 H new ATOM 449 N ILE A 35 77.205 -3.995 4.956 1.00 0.00 N ATOM 450 CA ILE A 35 78.047 -5.211 5.241 1.00 0.00 C ATOM 451 C ILE A 35 77.156 -6.360 5.746 1.00 0.00 C ATOM 452 O ILE A 35 77.320 -7.499 5.342 1.00 0.00 O ATOM 453 CB ILE A 35 79.068 -4.779 6.318 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.955 -3.655 5.770 1.00 0.00 C ATOM 455 CG2 ILE A 35 79.966 -5.958 6.715 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.685 -2.971 6.927 1.00 0.00 C ATOM 0 H ILE A 35 77.387 -3.197 5.565 1.00 0.00 H new ATOM 0 HA ILE A 35 78.557 -5.574 4.349 1.00 0.00 H new ATOM 0 HB ILE A 35 78.515 -4.433 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.676 -4.060 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.348 -2.929 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.678 -5.634 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.352 -6.765 7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.507 -6.314 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.316 -2.172 6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.956 -2.552 7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.304 -3.701 7.448 1.00 0.00 H new ATOM 468 N LYS A 36 76.225 -6.062 6.625 1.00 0.00 N ATOM 469 CA LYS A 36 75.312 -7.125 7.172 1.00 0.00 C ATOM 470 C LYS A 36 74.430 -7.720 6.064 1.00 0.00 C ATOM 471 O LYS A 36 74.239 -8.922 6.002 1.00 0.00 O ATOM 472 CB LYS A 36 74.436 -6.431 8.224 1.00 0.00 C ATOM 473 CG LYS A 36 75.308 -5.948 9.387 1.00 0.00 C ATOM 474 CD LYS A 36 75.780 -7.149 10.208 1.00 0.00 C ATOM 475 CE LYS A 36 76.429 -6.661 11.505 1.00 0.00 C ATOM 476 NZ LYS A 36 75.295 -6.453 12.448 1.00 0.00 N ATOM 0 H LYS A 36 76.056 -5.124 6.990 1.00 0.00 H new ATOM 0 HA LYS A 36 75.886 -7.948 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 36 73.912 -5.587 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.675 -7.121 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.167 -5.395 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 36 74.743 -5.263 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 36 74.937 -7.801 10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 36 76.493 -7.738 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 36 77.136 -7.394 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 76.984 -5.737 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 75.498 -5.637 13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 74.424 -6.273 11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 75.170 -7.303 13.034 1.00 0.00 H new ATOM 490 N LEU A 37 73.902 -6.885 5.199 1.00 0.00 N ATOM 491 CA LEU A 37 72.819 -7.334 4.261 1.00 0.00 C ATOM 492 C LEU A 37 73.396 -7.874 2.947 1.00 0.00 C ATOM 493 O LEU A 37 72.813 -8.751 2.334 1.00 0.00 O ATOM 494 CB LEU A 37 71.972 -6.086 3.994 1.00 0.00 C ATOM 495 CG LEU A 37 71.221 -5.692 5.268 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.616 -4.299 5.091 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.101 -6.700 5.534 1.00 0.00 C ATOM 0 H LEU A 37 74.175 -5.907 5.101 1.00 0.00 H new ATOM 0 HA LEU A 37 72.237 -8.147 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.610 -5.265 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.264 -6.280 3.188 1.00 0.00 H new ATOM 0 HG LEU A 37 71.913 -5.686 6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.081 -4.017 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.411 -3.578 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.924 -4.307 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.566 -6.419 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.409 -6.705 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.529 -7.695 5.658 1.00 0.00 H new ATOM 509 N GLN A 38 74.530 -7.359 2.510 1.00 0.00 N ATOM 510 CA GLN A 38 75.089 -7.718 1.151 1.00 0.00 C ATOM 511 C GLN A 38 75.167 -9.242 0.933 1.00 0.00 C ATOM 512 O GLN A 38 75.402 -9.996 1.860 1.00 0.00 O ATOM 513 CB GLN A 38 76.497 -7.094 1.081 1.00 0.00 C ATOM 514 CG GLN A 38 77.384 -7.599 2.227 1.00 0.00 C ATOM 515 CD GLN A 38 78.857 -7.447 1.844 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.484 -8.393 1.408 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.440 -6.289 1.987 1.00 0.00 N ATOM 0 H GLN A 38 75.099 -6.699 3.040 1.00 0.00 H new ATOM 0 HA GLN A 38 74.434 -7.336 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.959 -7.339 0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.419 -6.008 1.129 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.175 -7.036 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.160 -8.644 2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.914 -5.495 2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.422 -6.177 1.733 1.00 0.00 H new ATOM 526 N GLY A 39 74.971 -9.678 -0.292 1.00 0.00 N ATOM 527 CA GLY A 39 74.893 -11.142 -0.591 1.00 0.00 C ATOM 528 C GLY A 39 73.430 -11.608 -0.638 1.00 0.00 C ATOM 529 O GLY A 39 73.114 -12.572 -1.314 1.00 0.00 O ATOM 0 H GLY A 39 74.861 -9.072 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.377 -11.350 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.435 -11.703 0.170 1.00 0.00 H new ATOM 533 N LYS A 40 72.544 -10.939 0.071 1.00 0.00 N ATOM 534 CA LYS A 40 71.088 -11.284 0.003 1.00 0.00 C ATOM 535 C LYS A 40 70.403 -10.476 -1.103 1.00 0.00 C ATOM 536 O LYS A 40 70.866 -9.410 -1.471 1.00 0.00 O ATOM 537 CB LYS A 40 70.515 -10.908 1.373 1.00 0.00 C ATOM 538 CG LYS A 40 71.097 -11.833 2.443 1.00 0.00 C ATOM 539 CD LYS A 40 70.461 -11.513 3.797 1.00 0.00 C ATOM 540 CE LYS A 40 71.113 -12.371 4.883 1.00 0.00 C ATOM 541 NZ LYS A 40 70.392 -13.674 4.826 1.00 0.00 N ATOM 0 H LYS A 40 72.772 -10.166 0.696 1.00 0.00 H new ATOM 0 HA LYS A 40 70.930 -12.338 -0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.754 -9.870 1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.428 -10.990 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.911 -12.874 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.178 -11.707 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.588 -10.456 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.389 -11.705 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 40 72.179 -12.501 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.015 -11.908 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.748 -14.301 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 69.374 -13.514 4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 70.551 -14.118 3.899 1.00 0.00 H new ATOM 555 N THR A 41 69.310 -10.984 -1.629 1.00 0.00 N ATOM 556 CA THR A 41 68.568 -10.262 -2.708 1.00 0.00 C ATOM 557 C THR A 41 67.372 -9.512 -2.118 1.00 0.00 C ATOM 558 O THR A 41 66.773 -9.952 -1.152 1.00 0.00 O ATOM 559 CB THR A 41 68.095 -11.358 -3.665 1.00 0.00 C ATOM 560 OG1 THR A 41 69.188 -12.203 -3.994 1.00 0.00 O ATOM 561 CG2 THR A 41 67.541 -10.719 -4.940 1.00 0.00 C ATOM 0 H THR A 41 68.900 -11.876 -1.352 1.00 0.00 H new ATOM 0 HA THR A 41 69.189 -9.521 -3.211 1.00 0.00 H new ATOM 0 HB THR A 41 67.313 -11.946 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.885 -12.906 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.204 -11.500 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.702 -10.071 -4.687 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.322 -10.130 -5.421 1.00 0.00 H new ATOM 569 N VAL A 42 67.029 -8.384 -2.698 1.00 0.00 N ATOM 570 CA VAL A 42 65.935 -7.527 -2.139 1.00 0.00 C ATOM 571 C VAL A 42 64.941 -7.137 -3.242 1.00 0.00 C ATOM 572 O VAL A 42 65.322 -6.943 -4.385 1.00 0.00 O ATOM 573 CB VAL A 42 66.625 -6.277 -1.558 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.528 -6.687 -0.393 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.471 -5.562 -2.625 1.00 0.00 C ATOM 0 H VAL A 42 67.466 -8.018 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 42 65.367 -8.055 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 42 65.851 -5.591 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.016 -5.803 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.928 -7.164 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.284 -7.387 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.945 -4.684 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.238 -6.241 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.830 -5.253 -3.451 1.00 0.00 H new ATOM 585 N ARG A 43 63.678 -7.031 -2.894 1.00 0.00 N ATOM 586 CA ARG A 43 62.650 -6.515 -3.850 1.00 0.00 C ATOM 587 C ARG A 43 61.736 -5.511 -3.142 1.00 0.00 C ATOM 588 O ARG A 43 61.501 -5.612 -1.949 1.00 0.00 O ATOM 589 CB ARG A 43 61.852 -7.747 -4.283 1.00 0.00 C ATOM 590 CG ARG A 43 62.744 -8.674 -5.112 1.00 0.00 C ATOM 591 CD ARG A 43 61.902 -9.813 -5.692 1.00 0.00 C ATOM 592 NE ARG A 43 61.484 -10.630 -4.508 1.00 0.00 N ATOM 593 CZ ARG A 43 62.303 -11.475 -3.905 1.00 0.00 C ATOM 594 NH1 ARG A 43 63.545 -11.660 -4.299 1.00 0.00 N ATOM 595 NH2 ARG A 43 61.862 -12.152 -2.880 1.00 0.00 N ATOM 0 H ARG A 43 63.314 -7.284 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 43 63.098 -6.001 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.477 -8.276 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 43 60.984 -7.443 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.220 -8.114 -5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.543 -9.079 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.036 -9.428 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 43 62.479 -10.409 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 43 60.533 -10.531 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 43 63.909 -11.141 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 43 64.143 -12.322 -3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 43 60.902 -12.024 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 43 62.477 -12.809 -2.400 1.00 0.00 H new ATOM 609 N THR A 44 61.214 -4.546 -3.871 1.00 0.00 N ATOM 610 CA THR A 44 60.358 -3.470 -3.246 1.00 0.00 C ATOM 611 C THR A 44 59.179 -4.069 -2.463 1.00 0.00 C ATOM 612 O THR A 44 58.552 -5.015 -2.906 1.00 0.00 O ATOM 613 CB THR A 44 59.831 -2.631 -4.418 1.00 0.00 C ATOM 614 OG1 THR A 44 60.910 -2.292 -5.279 1.00 0.00 O ATOM 615 CG2 THR A 44 59.182 -1.352 -3.886 1.00 0.00 C ATOM 0 H THR A 44 61.343 -4.455 -4.879 1.00 0.00 H new ATOM 0 HA THR A 44 60.936 -2.879 -2.536 1.00 0.00 H new ATOM 0 HB THR A 44 59.090 -3.208 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.575 -1.758 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.809 -0.759 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.354 -1.611 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.920 -0.773 -3.331 1.00 0.00 H new ATOM 623 N GLY A 45 58.886 -3.516 -1.306 1.00 0.00 N ATOM 624 CA GLY A 45 57.706 -3.974 -0.508 1.00 0.00 C ATOM 625 C GLY A 45 58.127 -4.947 0.605 1.00 0.00 C ATOM 626 O GLY A 45 57.373 -5.165 1.538 1.00 0.00 O ATOM 0 H GLY A 45 59.421 -2.760 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.204 -3.111 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.986 -4.461 -1.166 1.00 0.00 H new ATOM 630 N ASP A 46 59.311 -5.531 0.525 1.00 0.00 N ATOM 631 CA ASP A 46 59.790 -6.443 1.623 1.00 0.00 C ATOM 632 C ASP A 46 59.971 -5.667 2.933 1.00 0.00 C ATOM 633 O ASP A 46 60.242 -4.480 2.921 1.00 0.00 O ATOM 634 CB ASP A 46 61.141 -6.999 1.158 1.00 0.00 C ATOM 635 CG ASP A 46 60.933 -7.972 -0.007 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.984 -8.738 0.039 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.736 -7.939 -0.924 1.00 0.00 O ATOM 0 H ASP A 46 59.962 -5.414 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 46 59.068 -7.237 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.793 -6.182 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.638 -7.508 1.984 1.00 0.00 H new ATOM 642 N VAL A 47 59.821 -6.340 4.052 1.00 0.00 N ATOM 643 CA VAL A 47 60.040 -5.686 5.383 1.00 0.00 C ATOM 644 C VAL A 47 60.896 -6.608 6.262 1.00 0.00 C ATOM 645 O VAL A 47 60.630 -7.794 6.361 1.00 0.00 O ATOM 646 CB VAL A 47 58.634 -5.485 5.987 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.738 -4.795 7.353 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.782 -4.605 5.063 1.00 0.00 C ATOM 0 H VAL A 47 59.554 -7.323 4.099 1.00 0.00 H new ATOM 0 HA VAL A 47 60.564 -4.734 5.303 1.00 0.00 H new ATOM 0 HB VAL A 47 58.170 -6.465 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.740 -4.659 7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.331 -5.412 8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.217 -3.823 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.792 -4.470 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.261 -3.633 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.687 -5.085 4.089 1.00 0.00 H new ATOM 658 N ILE A 48 61.913 -6.066 6.892 1.00 0.00 N ATOM 659 CA ILE A 48 62.799 -6.891 7.780 1.00 0.00 C ATOM 660 C ILE A 48 63.120 -6.127 9.070 1.00 0.00 C ATOM 661 O ILE A 48 63.161 -4.909 9.080 1.00 0.00 O ATOM 662 CB ILE A 48 64.078 -7.189 6.971 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.782 -5.889 6.526 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.717 -8.022 5.736 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.750 -5.400 7.614 1.00 0.00 C ATOM 0 H ILE A 48 62.170 -5.081 6.829 1.00 0.00 H new ATOM 0 HA ILE A 48 62.312 -7.819 8.078 1.00 0.00 H new ATOM 0 HB ILE A 48 64.764 -7.743 7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.327 -6.063 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 48 64.039 -5.119 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.620 -8.233 5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.259 -8.960 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 48 63.015 -7.466 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.237 -4.483 7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.197 -5.205 8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.504 -6.164 7.800 1.00 0.00 H new ATOM 677 N GLY A 49 63.345 -6.843 10.151 1.00 0.00 N ATOM 678 CA GLY A 49 63.623 -6.187 11.467 1.00 0.00 C ATOM 679 C GLY A 49 65.100 -6.364 11.831 1.00 0.00 C ATOM 680 O GLY A 49 65.674 -7.416 11.611 1.00 0.00 O ATOM 0 H GLY A 49 63.347 -7.863 10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.376 -5.127 11.415 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.993 -6.623 12.242 1.00 0.00 H new ATOM 684 N ILE A 50 65.708 -5.337 12.383 1.00 0.00 N ATOM 685 CA ILE A 50 67.131 -5.437 12.845 1.00 0.00 C ATOM 686 C ILE A 50 67.209 -5.045 14.328 1.00 0.00 C ATOM 687 O ILE A 50 66.596 -4.082 14.751 1.00 0.00 O ATOM 688 CB ILE A 50 67.927 -4.453 11.962 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.809 -4.856 10.485 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.411 -4.469 12.354 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.307 -3.713 9.597 1.00 0.00 C ATOM 0 H ILE A 50 65.274 -4.426 12.534 1.00 0.00 H new ATOM 0 HA ILE A 50 67.533 -6.446 12.755 1.00 0.00 H new ATOM 0 HB ILE A 50 67.517 -3.454 12.109 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.393 -5.757 10.296 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.772 -5.091 10.244 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.961 -3.771 11.724 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.515 -4.174 13.398 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.812 -5.473 12.219 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.222 -4.002 8.550 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.704 -2.823 9.778 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.350 -3.499 9.831 1.00 0.00 H new ATOM 703 N SER A 51 67.951 -5.797 15.110 1.00 0.00 N ATOM 704 CA SER A 51 68.224 -5.397 16.529 1.00 0.00 C ATOM 705 C SER A 51 69.492 -4.540 16.603 1.00 0.00 C ATOM 706 O SER A 51 70.564 -4.988 16.236 1.00 0.00 O ATOM 707 CB SER A 51 68.426 -6.711 17.287 1.00 0.00 C ATOM 708 OG SER A 51 68.676 -6.430 18.658 1.00 0.00 O ATOM 0 H SER A 51 68.381 -6.676 14.823 1.00 0.00 H new ATOM 0 HA SER A 51 67.411 -4.805 16.950 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.542 -7.340 17.189 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.261 -7.266 16.860 1.00 0.00 H new ATOM 0 HG SER A 51 68.804 -7.270 19.146 1.00 0.00 H new ATOM 714 N ILE A 52 69.370 -3.318 17.073 1.00 0.00 N ATOM 715 CA ILE A 52 70.562 -2.415 17.191 1.00 0.00 C ATOM 716 C ILE A 52 70.607 -1.810 18.602 1.00 0.00 C ATOM 717 O ILE A 52 69.630 -1.264 19.082 1.00 0.00 O ATOM 718 CB ILE A 52 70.370 -1.320 16.120 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.283 -1.953 14.722 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.559 -0.348 16.141 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.786 -0.915 13.711 1.00 0.00 C ATOM 0 H ILE A 52 68.490 -2.906 17.382 1.00 0.00 H new ATOM 0 HA ILE A 52 71.502 -2.945 17.037 1.00 0.00 H new ATOM 0 HB ILE A 52 69.447 -0.785 16.342 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.261 -2.327 14.421 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.607 -2.808 14.741 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.414 0.421 15.382 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.629 0.120 17.123 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.479 -0.894 15.933 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.727 -1.370 12.722 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.799 -0.562 14.008 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.479 -0.074 13.683 1.00 0.00 H new ATOM 733 N LEU A 53 71.745 -1.908 19.266 1.00 0.00 N ATOM 734 CA LEU A 53 71.945 -1.272 20.621 1.00 0.00 C ATOM 735 C LEU A 53 70.820 -1.649 21.601 1.00 0.00 C ATOM 736 O LEU A 53 70.453 -0.865 22.461 1.00 0.00 O ATOM 737 CB LEU A 53 71.956 0.243 20.370 1.00 0.00 C ATOM 738 CG LEU A 53 73.181 0.615 19.531 1.00 0.00 C ATOM 739 CD1 LEU A 53 72.971 1.997 18.908 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.422 0.643 20.424 1.00 0.00 C ATOM 0 H LEU A 53 72.560 -2.413 18.918 1.00 0.00 H new ATOM 0 HA LEU A 53 72.871 -1.619 21.079 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.044 0.543 19.854 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.976 0.779 21.319 1.00 0.00 H new ATOM 0 HG LEU A 53 73.318 -0.124 18.741 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.843 2.263 18.310 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.086 1.978 18.271 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.834 2.735 19.698 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.294 0.908 19.826 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.285 1.382 21.214 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.572 -0.341 20.869 1.00 0.00 H new ATOM 752 N GLY A 54 70.284 -2.841 21.469 1.00 0.00 N ATOM 753 CA GLY A 54 69.235 -3.323 22.421 1.00 0.00 C ATOM 754 C GLY A 54 67.875 -2.679 22.099 1.00 0.00 C ATOM 755 O GLY A 54 67.022 -2.589 22.965 1.00 0.00 O ATOM 0 H GLY A 54 70.532 -3.505 20.735 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.153 -4.408 22.361 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.525 -3.081 23.443 1.00 0.00 H new ATOM 759 N LYS A 55 67.667 -2.238 20.873 1.00 0.00 N ATOM 760 CA LYS A 55 66.366 -1.601 20.498 1.00 0.00 C ATOM 761 C LYS A 55 65.891 -2.133 19.144 1.00 0.00 C ATOM 762 O LYS A 55 66.663 -2.215 18.204 1.00 0.00 O ATOM 763 CB LYS A 55 66.668 -0.103 20.413 1.00 0.00 C ATOM 764 CG LYS A 55 65.359 0.676 20.268 1.00 0.00 C ATOM 765 CD LYS A 55 65.646 2.177 20.347 1.00 0.00 C ATOM 766 CE LYS A 55 66.284 2.647 19.037 1.00 0.00 C ATOM 767 NZ LYS A 55 65.139 2.885 18.116 1.00 0.00 N ATOM 0 H LYS A 55 68.349 -2.295 20.117 1.00 0.00 H new ATOM 0 HA LYS A 55 65.576 -1.815 21.218 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.200 0.223 21.307 1.00 0.00 H new ATOM 0 HB3 LYS A 55 67.320 0.099 19.563 1.00 0.00 H new ATOM 0 HG2 LYS A 55 64.884 0.436 19.317 1.00 0.00 H new ATOM 0 HG3 LYS A 55 64.662 0.386 21.055 1.00 0.00 H new ATOM 0 HD2 LYS A 55 64.722 2.725 20.530 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.312 2.387 21.184 1.00 0.00 H new ATOM 0 HE2 LYS A 55 66.867 3.556 19.185 1.00 0.00 H new ATOM 0 HE3 LYS A 55 66.963 1.895 18.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 65.403 2.596 17.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 64.318 2.329 18.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 64.895 3.896 18.120 1.00 0.00 H new ATOM 781 N GLU A 56 64.631 -2.494 19.047 1.00 0.00 N ATOM 782 CA GLU A 56 64.088 -3.050 17.763 1.00 0.00 C ATOM 783 C GLU A 56 63.757 -1.917 16.788 1.00 0.00 C ATOM 784 O GLU A 56 63.062 -0.978 17.136 1.00 0.00 O ATOM 785 CB GLU A 56 62.814 -3.809 18.148 1.00 0.00 C ATOM 786 CG GLU A 56 62.326 -4.629 16.952 1.00 0.00 C ATOM 787 CD GLU A 56 60.982 -5.277 17.292 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.956 -6.106 18.186 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.001 -4.933 16.652 1.00 0.00 O ATOM 0 H GLU A 56 63.952 -2.427 19.806 1.00 0.00 H new ATOM 0 HA GLU A 56 64.811 -3.698 17.268 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.011 -4.465 18.996 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.041 -3.107 18.461 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.222 -3.988 16.076 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.058 -5.396 16.700 1.00 0.00 H new ATOM 796 N VAL A 57 64.253 -2.005 15.574 1.00 0.00 N ATOM 797 CA VAL A 57 63.861 -1.032 14.504 1.00 0.00 C ATOM 798 C VAL A 57 63.371 -1.793 13.261 1.00 0.00 C ATOM 799 O VAL A 57 64.010 -2.726 12.807 1.00 0.00 O ATOM 800 CB VAL A 57 65.132 -0.198 14.216 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.292 -1.093 13.763 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.845 0.841 13.124 1.00 0.00 C ATOM 0 H VAL A 57 64.920 -2.718 15.277 1.00 0.00 H new ATOM 0 HA VAL A 57 63.040 -0.382 14.805 1.00 0.00 H new ATOM 0 HB VAL A 57 65.416 0.304 15.141 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.171 -0.479 13.568 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.521 -1.816 14.546 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.010 -1.621 12.852 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.746 1.422 12.929 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.536 0.333 12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.048 1.507 13.456 1.00 0.00 H new ATOM 812 N LYS A 58 62.239 -1.395 12.725 1.00 0.00 N ATOM 813 CA LYS A 58 61.718 -2.022 11.469 1.00 0.00 C ATOM 814 C LYS A 58 62.112 -1.179 10.251 1.00 0.00 C ATOM 815 O LYS A 58 61.940 0.027 10.248 1.00 0.00 O ATOM 816 CB LYS A 58 60.195 -2.038 11.631 1.00 0.00 C ATOM 817 CG LYS A 58 59.804 -2.990 12.765 1.00 0.00 C ATOM 818 CD LYS A 58 60.028 -4.438 12.320 1.00 0.00 C ATOM 819 CE LYS A 58 59.441 -5.389 13.365 1.00 0.00 C ATOM 820 NZ LYS A 58 59.145 -6.643 12.616 1.00 0.00 N ATOM 0 H LYS A 58 61.650 -0.656 13.109 1.00 0.00 H new ATOM 0 HA LYS A 58 62.124 -3.021 11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.832 -1.033 11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.724 -2.354 10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.397 -2.776 13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 58 58.759 -2.840 13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 58 59.557 -4.609 11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 58 61.094 -4.631 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 58 60.147 -5.570 14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.539 -4.974 13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 58.739 -7.347 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 58.466 -6.441 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 60.024 -7.018 12.205 1.00 0.00 H new ATOM 834 N PHE A 59 62.640 -1.812 9.226 1.00 0.00 N ATOM 835 CA PHE A 59 62.983 -1.084 7.966 1.00 0.00 C ATOM 836 C PHE A 59 62.128 -1.604 6.807 1.00 0.00 C ATOM 837 O PHE A 59 62.014 -2.802 6.610 1.00 0.00 O ATOM 838 CB PHE A 59 64.459 -1.397 7.714 1.00 0.00 C ATOM 839 CG PHE A 59 65.407 -0.614 8.592 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.736 0.737 8.263 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.982 -1.230 9.747 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.639 1.474 9.092 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.885 -0.493 10.573 1.00 0.00 C ATOM 844 CZ PHE A 59 67.213 0.858 10.247 1.00 0.00 C ATOM 0 H PHE A 59 62.848 -2.810 9.212 1.00 0.00 H new ATOM 0 HA PHE A 59 62.799 -0.013 8.048 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.627 -2.462 7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.691 -1.190 6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.303 1.201 7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.734 -2.251 9.995 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.887 2.496 8.845 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.320 -0.958 11.445 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.895 1.414 10.873 1.00 0.00 H new ATOM 854 N LYS A 60 61.535 -0.710 6.049 1.00 0.00 N ATOM 855 CA LYS A 60 60.778 -1.120 4.826 1.00 0.00 C ATOM 856 C LYS A 60 61.582 -0.779 3.569 1.00 0.00 C ATOM 857 O LYS A 60 62.245 0.242 3.513 1.00 0.00 O ATOM 858 CB LYS A 60 59.481 -0.309 4.866 1.00 0.00 C ATOM 859 CG LYS A 60 58.521 -0.837 3.798 1.00 0.00 C ATOM 860 CD LYS A 60 57.259 0.028 3.768 1.00 0.00 C ATOM 861 CE LYS A 60 56.297 -0.511 2.706 1.00 0.00 C ATOM 862 NZ LYS A 60 54.944 -0.091 3.168 1.00 0.00 N ATOM 0 H LYS A 60 61.545 0.294 6.229 1.00 0.00 H new ATOM 0 HA LYS A 60 60.586 -2.193 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 60 59.023 -0.383 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.693 0.746 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 60 59.005 -0.825 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.259 -1.873 4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.778 0.023 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.520 1.063 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.524 -0.100 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 60 56.367 -1.596 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.227 -0.423 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.754 -0.502 4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 54.905 0.946 3.231 1.00 0.00 H new ATOM 876 N VAL A 61 61.521 -1.629 2.569 1.00 0.00 N ATOM 877 CA VAL A 61 62.226 -1.348 1.274 1.00 0.00 C ATOM 878 C VAL A 61 61.309 -0.506 0.377 1.00 0.00 C ATOM 879 O VAL A 61 60.257 -0.961 -0.037 1.00 0.00 O ATOM 880 CB VAL A 61 62.515 -2.725 0.640 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.269 -2.551 -0.684 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.379 -3.571 1.584 1.00 0.00 C ATOM 0 H VAL A 61 61.010 -2.511 2.594 1.00 0.00 H new ATOM 0 HA VAL A 61 63.152 -0.790 1.414 1.00 0.00 H new ATOM 0 HB VAL A 61 61.562 -3.224 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.467 -3.530 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.664 -1.962 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.213 -2.038 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.576 -4.540 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.323 -3.059 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.852 -3.716 2.527 1.00 0.00 H new ATOM 892 N VAL A 62 61.713 0.707 0.078 1.00 0.00 N ATOM 893 CA VAL A 62 60.827 1.648 -0.683 1.00 0.00 C ATOM 894 C VAL A 62 60.880 1.293 -2.173 1.00 0.00 C ATOM 895 O VAL A 62 59.864 1.278 -2.846 1.00 0.00 O ATOM 896 CB VAL A 62 61.382 3.067 -0.433 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.510 4.111 -1.141 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.386 3.376 1.069 1.00 0.00 C ATOM 0 H VAL A 62 62.625 1.088 0.330 1.00 0.00 H new ATOM 0 HA VAL A 62 59.787 1.585 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 62 62.399 3.107 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.913 5.107 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.505 3.914 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.491 4.055 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.779 4.379 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.368 3.318 1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 62 62.013 2.651 1.588 1.00 0.00 H new ATOM 908 N GLN A 63 62.061 1.010 -2.683 1.00 0.00 N ATOM 909 CA GLN A 63 62.206 0.640 -4.128 1.00 0.00 C ATOM 910 C GLN A 63 63.579 0.014 -4.388 1.00 0.00 C ATOM 911 O GLN A 63 64.592 0.526 -3.945 1.00 0.00 O ATOM 912 CB GLN A 63 62.069 1.956 -4.902 1.00 0.00 C ATOM 913 CG GLN A 63 61.792 1.654 -6.376 1.00 0.00 C ATOM 914 CD GLN A 63 61.238 2.907 -7.057 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.735 3.996 -6.849 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.224 2.799 -7.870 1.00 0.00 N ATOM 0 H GLN A 63 62.933 1.020 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 63 61.459 -0.093 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.259 2.554 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 63 62.982 2.544 -4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.708 1.333 -6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.079 0.834 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 63 59.806 1.885 -8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 63 59.849 3.628 -8.331 1.00 0.00 H new ATOM 925 N ALA A 64 63.608 -1.091 -5.100 1.00 0.00 N ATOM 926 CA ALA A 64 64.905 -1.691 -5.539 1.00 0.00 C ATOM 927 C ALA A 64 65.155 -1.376 -7.016 1.00 0.00 C ATOM 928 O ALA A 64 64.263 -1.497 -7.837 1.00 0.00 O ATOM 929 CB ALA A 64 64.734 -3.197 -5.333 1.00 0.00 C ATOM 0 H ALA A 64 62.778 -1.605 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 64 65.755 -1.298 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.647 -3.711 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.533 -3.400 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.900 -3.555 -5.937 1.00 0.00 H new ATOM 935 N TYR A 65 66.360 -0.972 -7.350 1.00 0.00 N ATOM 936 CA TYR A 65 66.688 -0.609 -8.766 1.00 0.00 C ATOM 937 C TYR A 65 67.965 -1.348 -9.222 1.00 0.00 C ATOM 938 O TYR A 65 69.004 -1.131 -8.630 1.00 0.00 O ATOM 939 CB TYR A 65 66.938 0.903 -8.729 1.00 0.00 C ATOM 940 CG TYR A 65 65.687 1.729 -8.920 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.831 1.483 -10.038 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.363 2.758 -7.984 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.650 2.266 -10.219 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.181 3.541 -8.165 1.00 0.00 C ATOM 945 CZ TYR A 65 63.325 3.296 -9.283 1.00 0.00 C ATOM 946 OH TYR A 65 62.185 4.053 -9.457 1.00 0.00 O ATOM 0 H TYR A 65 67.136 -0.878 -6.695 1.00 0.00 H new ATOM 0 HA TYR A 65 65.894 -0.883 -9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.393 1.164 -7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.657 1.163 -9.506 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.077 0.705 -10.746 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.011 2.944 -7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.003 2.080 -11.063 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.935 4.318 -7.457 1.00 0.00 H new ATOM 0 HH TYR A 65 62.009 4.571 -8.644 1.00 0.00 H new ATOM 956 N PRO A 66 67.904 -2.195 -10.245 1.00 0.00 N ATOM 957 CA PRO A 66 66.636 -2.791 -10.787 1.00 0.00 C ATOM 958 C PRO A 66 66.118 -3.880 -9.844 1.00 0.00 C ATOM 959 O PRO A 66 66.846 -4.358 -8.996 1.00 0.00 O ATOM 960 CB PRO A 66 67.078 -3.401 -12.116 1.00 0.00 C ATOM 961 CG PRO A 66 68.513 -3.738 -11.906 1.00 0.00 C ATOM 962 CD PRO A 66 69.071 -2.680 -10.996 1.00 0.00 C ATOM 0 HA PRO A 66 65.829 -2.066 -10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.493 -4.287 -12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.951 -2.697 -12.939 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.618 -4.727 -11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.050 -3.757 -12.854 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.831 -3.089 -10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.542 -1.876 -11.562 1.00 0.00 H new ATOM 970 N SER A 67 64.872 -4.269 -9.991 1.00 0.00 N ATOM 971 CA SER A 67 64.310 -5.365 -9.140 1.00 0.00 C ATOM 972 C SER A 67 64.261 -6.682 -9.944 1.00 0.00 C ATOM 973 O SER A 67 63.956 -6.640 -11.120 1.00 0.00 O ATOM 974 CB SER A 67 62.894 -4.906 -8.791 1.00 0.00 C ATOM 975 OG SER A 67 62.956 -3.666 -8.101 1.00 0.00 O ATOM 0 H SER A 67 64.219 -3.872 -10.667 1.00 0.00 H new ATOM 0 HA SER A 67 64.912 -5.550 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.300 -4.800 -9.699 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.399 -5.655 -8.172 1.00 0.00 H new ATOM 0 HG SER A 67 63.858 -3.291 -8.183 1.00 0.00 H new ATOM 981 N PRO A 68 64.554 -7.826 -9.331 1.00 0.00 N ATOM 982 CA PRO A 68 65.292 -7.922 -8.026 1.00 0.00 C ATOM 983 C PRO A 68 66.778 -7.597 -8.221 1.00 0.00 C ATOM 984 O PRO A 68 67.280 -7.624 -9.332 1.00 0.00 O ATOM 985 CB PRO A 68 65.109 -9.385 -7.626 1.00 0.00 C ATOM 986 CG PRO A 68 64.937 -10.102 -8.920 1.00 0.00 C ATOM 987 CD PRO A 68 64.198 -9.162 -9.833 1.00 0.00 C ATOM 0 HA PRO A 68 64.925 -7.223 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.973 -9.758 -7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.240 -9.515 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.903 -10.375 -9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.378 -11.027 -8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.502 -9.292 -10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.122 -9.330 -9.793 1.00 0.00 H new ATOM 995 N LEU A 69 67.474 -7.291 -7.148 1.00 0.00 N ATOM 996 CA LEU A 69 68.966 -7.166 -7.211 1.00 0.00 C ATOM 997 C LEU A 69 69.605 -7.705 -5.925 1.00 0.00 C ATOM 998 O LEU A 69 68.971 -7.748 -4.887 1.00 0.00 O ATOM 999 CB LEU A 69 69.257 -5.665 -7.398 1.00 0.00 C ATOM 1000 CG LEU A 69 68.717 -4.835 -6.215 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.786 -4.749 -5.115 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.351 -3.419 -6.690 1.00 0.00 C ATOM 0 H LEU A 69 67.069 -7.122 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 69 69.387 -7.749 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.332 -5.510 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.802 -5.318 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 69 67.825 -5.319 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.403 -4.162 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.034 -5.753 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.681 -4.271 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.971 -2.840 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.237 -2.931 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.585 -3.481 -7.463 1.00 0.00 H new ATOM 1014 N ARG A 70 70.851 -8.116 -6.000 1.00 0.00 N ATOM 1015 CA ARG A 70 71.622 -8.454 -4.762 1.00 0.00 C ATOM 1016 C ARG A 70 72.385 -7.220 -4.273 1.00 0.00 C ATOM 1017 O ARG A 70 72.893 -6.446 -5.066 1.00 0.00 O ATOM 1018 CB ARG A 70 72.595 -9.565 -5.171 1.00 0.00 C ATOM 1019 CG ARG A 70 71.946 -10.933 -4.950 1.00 0.00 C ATOM 1020 CD ARG A 70 72.738 -12.006 -5.705 1.00 0.00 C ATOM 1021 NE ARG A 70 71.974 -13.286 -5.510 1.00 0.00 N ATOM 1022 CZ ARG A 70 72.544 -14.474 -5.628 1.00 0.00 C ATOM 1023 NH1 ARG A 70 73.813 -14.625 -5.943 1.00 0.00 N ATOM 1024 NH2 ARG A 70 71.817 -15.539 -5.433 1.00 0.00 N ATOM 0 H ARG A 70 71.368 -8.232 -6.872 1.00 0.00 H new ATOM 0 HA ARG A 70 70.972 -8.776 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.873 -9.450 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.513 -9.490 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.921 -11.167 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.913 -10.917 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.823 -11.758 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.752 -12.092 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 70 70.982 -13.237 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.399 -13.806 -6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 70 74.211 -15.561 -6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.830 -15.446 -5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 70 72.236 -16.465 -5.519 1.00 0.00 H new ATOM 1038 N VAL A 71 72.463 -7.044 -2.974 1.00 0.00 N ATOM 1039 CA VAL A 71 73.161 -5.845 -2.401 1.00 0.00 C ATOM 1040 C VAL A 71 74.671 -6.121 -2.345 1.00 0.00 C ATOM 1041 O VAL A 71 75.094 -7.166 -1.887 1.00 0.00 O ATOM 1042 CB VAL A 71 72.570 -5.646 -0.989 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.227 -4.446 -0.297 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.062 -5.386 -1.088 1.00 0.00 C ATOM 0 H VAL A 71 72.071 -7.682 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 71 73.018 -4.947 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 71 72.759 -6.550 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.799 -4.320 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.300 -4.618 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.050 -3.545 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.650 -5.246 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.886 -4.489 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.576 -6.238 -1.565 1.00 0.00 H new ATOM 1054 N GLU A 72 75.469 -5.186 -2.810 1.00 0.00 N ATOM 1055 CA GLU A 72 76.953 -5.372 -2.818 1.00 0.00 C ATOM 1056 C GLU A 72 77.641 -4.140 -2.222 1.00 0.00 C ATOM 1057 O GLU A 72 77.038 -3.089 -2.098 1.00 0.00 O ATOM 1058 CB GLU A 72 77.321 -5.535 -4.294 1.00 0.00 C ATOM 1059 CG GLU A 72 78.780 -5.977 -4.416 1.00 0.00 C ATOM 1060 CD GLU A 72 79.131 -6.182 -5.891 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.345 -6.804 -6.586 1.00 0.00 O ATOM 1062 OE2 GLU A 72 80.180 -5.713 -6.300 1.00 0.00 O ATOM 0 H GLU A 72 75.149 -4.294 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 72 77.268 -6.229 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.668 -6.271 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.171 -4.593 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.436 -5.226 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.938 -6.902 -3.862 1.00 0.00 H new ATOM 1069 N ASP A 73 78.899 -4.270 -1.853 1.00 0.00 N ATOM 1070 CA ASP A 73 79.666 -3.106 -1.278 1.00 0.00 C ATOM 1071 C ASP A 73 79.738 -1.945 -2.282 1.00 0.00 C ATOM 1072 O ASP A 73 79.813 -0.792 -1.893 1.00 0.00 O ATOM 1073 CB ASP A 73 81.074 -3.636 -0.984 1.00 0.00 C ATOM 1074 CG ASP A 73 81.842 -2.612 -0.146 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.682 -2.626 1.063 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.578 -1.831 -0.728 1.00 0.00 O ATOM 0 H ASP A 73 79.432 -5.137 -1.925 1.00 0.00 H new ATOM 0 HA ASP A 73 79.180 -2.721 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.013 -4.585 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.604 -3.828 -1.917 1.00 0.00 H new ATOM 1081 N ARG A 74 79.716 -2.251 -3.560 1.00 0.00 N ATOM 1082 CA ARG A 74 79.710 -1.175 -4.609 1.00 0.00 C ATOM 1083 C ARG A 74 78.292 -0.624 -4.835 1.00 0.00 C ATOM 1084 O ARG A 74 78.136 0.471 -5.346 1.00 0.00 O ATOM 1085 CB ARG A 74 80.227 -1.843 -5.888 1.00 0.00 C ATOM 1086 CG ARG A 74 81.695 -2.239 -5.704 1.00 0.00 C ATOM 1087 CD ARG A 74 82.570 -0.984 -5.717 1.00 0.00 C ATOM 1088 NE ARG A 74 83.974 -1.494 -5.815 1.00 0.00 N ATOM 1089 CZ ARG A 74 84.493 -1.928 -6.951 1.00 0.00 C ATOM 1090 NH1 ARG A 74 83.814 -1.947 -8.078 1.00 0.00 N ATOM 1091 NH2 ARG A 74 85.726 -2.355 -6.955 1.00 0.00 N ATOM 0 H ARG A 74 79.702 -3.204 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 74 80.329 -0.330 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.628 -2.724 -6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 74 80.127 -1.161 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.823 -2.774 -4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 74 82.002 -2.917 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 74 82.324 -0.340 -6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 74 82.427 -0.393 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 74 84.552 -1.507 -4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.849 -1.618 -8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 74 84.253 -2.290 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 74 86.270 -2.350 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 74 86.145 -2.694 -7.821 1.00 0.00 H new ATOM 1105 N THR A 75 77.268 -1.367 -4.460 1.00 0.00 N ATOM 1106 CA THR A 75 75.860 -0.862 -4.611 1.00 0.00 C ATOM 1107 C THR A 75 75.615 0.306 -3.649 1.00 0.00 C ATOM 1108 O THR A 75 75.995 0.250 -2.493 1.00 0.00 O ATOM 1109 CB THR A 75 74.947 -2.044 -4.259 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.360 -3.191 -4.985 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.502 -1.700 -4.624 1.00 0.00 C ATOM 0 H THR A 75 77.349 -2.300 -4.056 1.00 0.00 H new ATOM 0 HA THR A 75 75.668 -0.499 -5.621 1.00 0.00 H new ATOM 0 HB THR A 75 75.011 -2.248 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.129 -3.080 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.854 -2.540 -4.374 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.186 -0.819 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.435 -1.496 -5.693 1.00 0.00 H new ATOM 1119 N LYS A 76 74.982 1.354 -4.129 1.00 0.00 N ATOM 1120 CA LYS A 76 74.735 2.560 -3.272 1.00 0.00 C ATOM 1121 C LYS A 76 73.416 2.408 -2.511 1.00 0.00 C ATOM 1122 O LYS A 76 72.429 1.953 -3.061 1.00 0.00 O ATOM 1123 CB LYS A 76 74.655 3.740 -4.246 1.00 0.00 C ATOM 1124 CG LYS A 76 76.026 3.970 -4.886 1.00 0.00 C ATOM 1125 CD LYS A 76 76.071 5.364 -5.521 1.00 0.00 C ATOM 1126 CE LYS A 76 75.434 5.330 -6.920 1.00 0.00 C ATOM 1127 NZ LYS A 76 74.043 5.834 -6.733 1.00 0.00 N ATOM 0 H LYS A 76 74.625 1.425 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 76 75.520 2.699 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.911 3.539 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.333 4.638 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.810 3.877 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.218 3.209 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.541 6.077 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 76 77.103 5.707 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 76 75.988 5.956 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 76 75.434 4.319 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 73.405 5.345 -7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 73.736 5.652 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 74.016 6.857 -6.919 1.00 0.00 H new ATOM 1141 N ILE A 77 73.397 2.786 -1.253 1.00 0.00 N ATOM 1142 CA ILE A 77 72.132 2.722 -0.449 1.00 0.00 C ATOM 1143 C ILE A 77 71.853 4.098 0.171 1.00 0.00 C ATOM 1144 O ILE A 77 72.736 4.718 0.737 1.00 0.00 O ATOM 1145 CB ILE A 77 72.380 1.648 0.631 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.650 0.293 -0.040 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.147 1.507 1.536 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.209 -0.692 0.990 1.00 0.00 C ATOM 0 H ILE A 77 74.209 3.138 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 77 71.261 2.464 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 77 73.240 1.951 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.729 -0.100 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.358 0.417 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.336 0.746 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.942 2.460 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.286 1.214 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.399 -1.652 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.140 -0.301 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.486 -0.826 1.795 1.00 0.00 H new ATOM 1160 N THR A 78 70.629 4.565 0.061 1.00 0.00 N ATOM 1161 CA THR A 78 70.272 5.925 0.574 1.00 0.00 C ATOM 1162 C THR A 78 69.113 5.832 1.570 1.00 0.00 C ATOM 1163 O THR A 78 68.202 5.040 1.394 1.00 0.00 O ATOM 1164 CB THR A 78 69.849 6.713 -0.667 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.837 6.569 -1.678 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.697 8.192 -0.308 1.00 0.00 C ATOM 0 H THR A 78 69.856 4.055 -0.367 1.00 0.00 H new ATOM 0 HA THR A 78 71.101 6.399 1.099 1.00 0.00 H new ATOM 0 HB THR A 78 68.896 6.330 -1.032 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.566 7.072 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.396 8.752 -1.193 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.938 8.302 0.467 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.649 8.577 0.058 1.00 0.00 H new ATOM 1174 N LEU A 79 69.151 6.635 2.609 1.00 0.00 N ATOM 1175 CA LEU A 79 68.025 6.676 3.593 1.00 0.00 C ATOM 1176 C LEU A 79 67.110 7.867 3.295 1.00 0.00 C ATOM 1177 O LEU A 79 67.566 8.995 3.207 1.00 0.00 O ATOM 1178 CB LEU A 79 68.694 6.843 4.959 1.00 0.00 C ATOM 1179 CG LEU A 79 69.485 5.579 5.303 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.488 5.892 6.415 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.524 4.488 5.779 1.00 0.00 C ATOM 0 H LEU A 79 69.923 7.269 2.817 1.00 0.00 H new ATOM 0 HA LEU A 79 67.407 5.779 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.358 7.707 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.940 7.031 5.723 1.00 0.00 H new ATOM 0 HG LEU A 79 70.018 5.233 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 79 71.052 4.992 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.174 6.669 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.954 6.238 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.088 3.588 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.990 4.834 6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.808 4.264 4.988 1.00 0.00 H new ATOM 1193 N VAL A 80 65.829 7.619 3.141 1.00 0.00 N ATOM 1194 CA VAL A 80 64.860 8.722 2.838 1.00 0.00 C ATOM 1195 C VAL A 80 64.251 9.244 4.146 1.00 0.00 C ATOM 1196 O VAL A 80 63.863 8.471 5.005 1.00 0.00 O ATOM 1197 CB VAL A 80 63.780 8.088 1.935 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.717 9.132 1.561 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.417 7.561 0.644 1.00 0.00 C ATOM 0 H VAL A 80 65.411 6.692 3.213 1.00 0.00 H new ATOM 0 HA VAL A 80 65.334 9.570 2.344 1.00 0.00 H new ATOM 0 HB VAL A 80 63.316 7.269 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.962 8.671 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.245 9.511 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.189 9.956 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.647 7.116 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.892 8.384 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.166 6.808 0.889 1.00 0.00 H new