USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 78 HIS : no HE2:sc= -1.05! C(o=0.3!,f=-7.8!) USER MOD Set 1.2: B 208 THR OG1 : rot 61:sc= 1.35 USER MOD Single : A 13 THR OG1 : rot -24:sc= 0.236 USER MOD Single : A 20 LYS NZ :NH3+ -112:sc= 0.868 (180deg=-0.0756) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 33:sc= 1.14 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -72:sc= 1.3 USER MOD Single : A 60 HIS : no HD1:sc= 0.531 K(o=0.53,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.42 K(o=1.4,f=-5.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.514 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 87 ASN : amide:sc=-0.00448 X(o=-0.0045,f=-0.044) USER MOD Single : A 88 THR OG1 : rot -102:sc= 1.23 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 93 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.79) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 0.685 (180deg=0.661) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -7.229 -7.648 -6.150 1.00 0.00 N ATOM 74 CA THR A 13 -6.325 -6.546 -6.260 1.00 0.00 C ATOM 75 C THR A 13 -7.059 -5.262 -6.441 1.00 0.00 C ATOM 76 O THR A 13 -7.813 -5.063 -7.392 1.00 0.00 O ATOM 77 CB THR A 13 -5.285 -6.653 -7.335 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.783 -7.290 -8.502 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.121 -7.501 -6.793 1.00 0.00 C ATOM 0 HA THR A 13 -5.788 -6.570 -5.312 1.00 0.00 H new ATOM 0 HB THR A 13 -4.972 -5.644 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.545 -7.859 -8.264 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.351 -7.593 -7.559 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.700 -7.019 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.487 -8.492 -6.525 1.00 0.00 H new ATOM 87 N PHE A 14 -6.842 -4.324 -5.502 1.00 0.00 N ATOM 88 CA PHE A 14 -7.370 -2.997 -5.566 1.00 0.00 C ATOM 89 C PHE A 14 -6.213 -2.069 -5.703 1.00 0.00 C ATOM 90 O PHE A 14 -5.357 -1.953 -4.827 1.00 0.00 O ATOM 91 CB PHE A 14 -8.354 -2.543 -4.473 1.00 0.00 C ATOM 92 CG PHE A 14 -8.143 -3.042 -3.085 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.097 -4.381 -2.779 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.112 -2.142 -2.046 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.899 -4.813 -1.487 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.899 -2.561 -0.754 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.780 -3.900 -0.467 1.00 0.00 C ATOM 0 H PHE A 14 -6.279 -4.496 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.032 -2.984 -6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.337 -1.454 -4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.356 -2.837 -4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.219 -5.109 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.257 -1.091 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.837 -5.870 -1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.825 -1.833 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.596 -4.229 0.545 1.00 0.00 H new ATOM 107 N GLU A 15 -6.141 -1.388 -6.861 1.00 0.00 N ATOM 108 CA GLU A 15 -5.168 -0.375 -7.127 1.00 0.00 C ATOM 109 C GLU A 15 -5.755 0.940 -6.742 1.00 0.00 C ATOM 110 O GLU A 15 -6.343 1.655 -7.552 1.00 0.00 O ATOM 111 CB GLU A 15 -4.680 -0.418 -8.585 1.00 0.00 C ATOM 112 CG GLU A 15 -4.327 -1.808 -9.117 1.00 0.00 C ATOM 113 CD GLU A 15 -3.753 -1.751 -10.525 1.00 0.00 C ATOM 114 OE1 GLU A 15 -4.494 -1.344 -11.459 1.00 0.00 O ATOM 115 OE2 GLU A 15 -2.572 -2.142 -10.725 1.00 0.00 O ATOM 0 H GLU A 15 -6.782 -1.548 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.272 -0.547 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.453 0.011 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.802 0.221 -8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.605 -2.279 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.219 -2.434 -9.114 1.00 0.00 H new ATOM 122 N VAL A 16 -5.666 1.269 -5.441 1.00 0.00 N ATOM 123 CA VAL A 16 -6.169 2.444 -4.798 1.00 0.00 C ATOM 124 C VAL A 16 -5.295 3.612 -5.097 1.00 0.00 C ATOM 125 O VAL A 16 -4.103 3.439 -5.347 1.00 0.00 O ATOM 126 CB VAL A 16 -6.209 2.210 -3.317 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.817 3.386 -2.534 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.036 0.949 -3.009 1.00 0.00 C ATOM 0 H VAL A 16 -5.197 0.652 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.172 2.656 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.173 2.094 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.817 3.153 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.225 4.284 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.841 3.555 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.061 0.785 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.052 1.081 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.581 0.087 -3.497 1.00 0.00 H new ATOM 138 N GLU A 17 -5.794 4.861 -5.080 1.00 0.00 N ATOM 139 CA GLU A 17 -4.984 6.041 -5.095 1.00 0.00 C ATOM 140 C GLU A 17 -5.345 6.872 -3.912 1.00 0.00 C ATOM 141 O GLU A 17 -6.517 7.121 -3.636 1.00 0.00 O ATOM 142 CB GLU A 17 -5.022 6.813 -6.425 1.00 0.00 C ATOM 143 CG GLU A 17 -5.637 8.214 -6.403 1.00 0.00 C ATOM 144 CD GLU A 17 -5.914 8.832 -7.765 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.678 8.180 -8.818 1.00 0.00 O ATOM 146 OE2 GLU A 17 -6.381 10.002 -7.805 1.00 0.00 O ATOM 0 H GLU A 17 -6.795 5.057 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.938 5.746 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.000 6.898 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.574 6.213 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.573 8.172 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.968 8.876 -5.853 1.00 0.00 H new ATOM 153 N LEU A 18 -4.321 7.289 -3.147 1.00 0.00 N ATOM 154 CA LEU A 18 -4.474 8.099 -1.978 1.00 0.00 C ATOM 155 C LEU A 18 -3.567 9.278 -2.062 1.00 0.00 C ATOM 156 O LEU A 18 -2.574 9.279 -2.789 1.00 0.00 O ATOM 157 CB LEU A 18 -4.020 7.338 -0.720 1.00 0.00 C ATOM 158 CG LEU A 18 -4.719 5.992 -0.468 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.051 5.354 0.762 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.244 6.127 -0.315 1.00 0.00 C ATOM 0 H LEU A 18 -3.350 7.053 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.526 8.379 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.947 7.162 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.181 7.978 0.147 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.598 5.344 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.521 4.394 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.990 5.203 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.168 6.013 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.680 5.144 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.469 6.780 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.665 6.553 -1.226 1.00 0.00 H new ATOM 172 N ALA A 19 -3.855 10.312 -1.252 1.00 0.00 N ATOM 173 CA ALA A 19 -2.927 11.357 -0.953 1.00 0.00 C ATOM 174 C ALA A 19 -2.701 11.394 0.520 1.00 0.00 C ATOM 175 O ALA A 19 -3.612 11.620 1.314 1.00 0.00 O ATOM 176 CB ALA A 19 -3.402 12.706 -1.520 1.00 0.00 C ATOM 0 H ALA A 19 -4.759 10.424 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.972 11.155 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.674 13.480 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.502 12.631 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.367 12.964 -1.084 1.00 0.00 H new ATOM 182 N LYS A 20 -1.452 11.139 0.951 1.00 0.00 N ATOM 183 CA LYS A 20 -1.018 11.126 2.314 1.00 0.00 C ATOM 184 C LYS A 20 -1.153 12.451 2.983 1.00 0.00 C ATOM 185 O LYS A 20 -0.682 13.477 2.494 1.00 0.00 O ATOM 186 CB LYS A 20 0.426 10.610 2.434 1.00 0.00 C ATOM 187 CG LYS A 20 1.352 11.038 1.294 1.00 0.00 C ATOM 188 CD LYS A 20 2.672 10.271 1.193 1.00 0.00 C ATOM 189 CE LYS A 20 3.685 10.497 2.316 1.00 0.00 C ATOM 190 NZ LYS A 20 4.594 11.626 2.015 1.00 0.00 N ATOM 0 H LYS A 20 -0.694 10.928 0.302 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.684 10.438 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.846 10.961 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.406 9.521 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.815 10.927 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.576 12.098 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.444 9.206 1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.147 10.534 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.156 10.694 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.270 9.589 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.557 11.265 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.266 12.117 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.599 12.290 2.815 1.00 0.00 H new ATOM 204 N THR A 21 -1.841 12.487 4.138 1.00 0.00 N ATOM 205 CA THR A 21 -2.216 13.695 4.805 1.00 0.00 C ATOM 206 C THR A 21 -1.207 13.991 5.861 1.00 0.00 C ATOM 207 O THR A 21 -0.932 13.168 6.733 1.00 0.00 O ATOM 208 CB THR A 21 -3.636 13.664 5.286 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.040 14.911 5.830 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.904 12.576 6.339 1.00 0.00 C ATOM 0 H THR A 21 -2.147 11.645 4.625 1.00 0.00 H new ATOM 0 HA THR A 21 -2.206 14.528 4.102 1.00 0.00 H new ATOM 0 HB THR A 21 -4.219 13.435 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.971 14.851 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.951 12.612 6.641 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.682 11.597 5.915 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.269 12.747 7.208 1.00 0.00 H new ATOM 218 N ASP A 22 -0.510 15.137 5.753 1.00 0.00 N ATOM 219 CA ASP A 22 0.616 15.543 6.535 1.00 0.00 C ATOM 220 C ASP A 22 1.854 14.723 6.415 1.00 0.00 C ATOM 221 O ASP A 22 2.948 15.176 6.746 1.00 0.00 O ATOM 222 CB ASP A 22 0.231 15.806 8.000 1.00 0.00 C ATOM 223 CG ASP A 22 -0.304 17.222 8.160 1.00 0.00 C ATOM 224 OD1 ASP A 22 0.480 18.184 7.940 1.00 0.00 O ATOM 225 OD2 ASP A 22 -1.503 17.387 8.513 1.00 0.00 O ATOM 0 H ASP A 22 -0.758 15.839 5.056 1.00 0.00 H new ATOM 0 HA ASP A 22 0.910 16.485 6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.523 15.087 8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.100 15.664 8.643 1.00 0.00 H new ATOM 230 N GLY A 23 1.749 13.469 5.938 1.00 0.00 N ATOM 231 CA GLY A 23 2.831 12.560 5.720 1.00 0.00 C ATOM 232 C GLY A 23 2.554 11.247 6.368 1.00 0.00 C ATOM 233 O GLY A 23 3.371 10.754 7.145 1.00 0.00 O ATOM 0 H GLY A 23 0.847 13.064 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.984 12.418 4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.753 12.982 6.120 1.00 0.00 H new ATOM 237 N SER A 24 1.393 10.639 6.071 1.00 0.00 N ATOM 238 CA SER A 24 0.879 9.449 6.678 1.00 0.00 C ATOM 239 C SER A 24 -0.391 9.199 5.940 1.00 0.00 C ATOM 240 O SER A 24 -1.239 10.073 5.769 1.00 0.00 O ATOM 241 CB SER A 24 0.581 9.542 8.184 1.00 0.00 C ATOM 242 OG SER A 24 1.791 9.474 8.925 1.00 0.00 O ATOM 0 H SER A 24 0.767 11.006 5.354 1.00 0.00 H new ATOM 0 HA SER A 24 1.628 8.660 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.063 10.476 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.083 8.731 8.482 1.00 0.00 H new ATOM 0 HG SER A 24 2.514 9.890 8.410 1.00 0.00 H new ATOM 248 N LEU A 25 -0.537 7.974 5.404 1.00 0.00 N ATOM 249 CA LEU A 25 -1.706 7.431 4.783 1.00 0.00 C ATOM 250 C LEU A 25 -2.565 6.898 5.878 1.00 0.00 C ATOM 251 O LEU A 25 -3.786 7.037 5.885 1.00 0.00 O ATOM 252 CB LEU A 25 -1.272 6.248 3.901 1.00 0.00 C ATOM 253 CG LEU A 25 -0.165 6.579 2.886 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.621 5.296 2.572 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.708 7.295 1.638 1.00 0.00 C ATOM 0 H LEU A 25 0.233 7.305 5.406 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.229 8.179 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.926 5.439 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.143 5.876 3.361 1.00 0.00 H new ATOM 0 HG LEU A 25 0.527 7.299 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.409 5.519 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.065 4.908 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.053 4.550 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.113 7.506 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.439 6.657 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.184 8.230 1.933 1.00 0.00 H new ATOM 267 N GLY A 26 -1.908 6.278 6.875 1.00 0.00 N ATOM 268 CA GLY A 26 -2.509 5.877 8.109 1.00 0.00 C ATOM 269 C GLY A 26 -2.186 4.473 8.491 1.00 0.00 C ATOM 270 O GLY A 26 -2.720 3.941 9.462 1.00 0.00 O ATOM 0 H GLY A 26 -0.916 6.047 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.178 6.548 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.591 5.986 8.031 1.00 0.00 H new ATOM 274 N ILE A 27 -1.295 3.810 7.731 1.00 0.00 N ATOM 275 CA ILE A 27 -1.050 2.415 7.926 1.00 0.00 C ATOM 276 C ILE A 27 0.218 2.192 8.677 1.00 0.00 C ATOM 277 O ILE A 27 1.280 2.720 8.350 1.00 0.00 O ATOM 278 CB ILE A 27 -1.138 1.631 6.651 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.221 2.199 5.554 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.626 1.645 6.259 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.148 1.296 4.323 1.00 0.00 C ATOM 0 H ILE A 27 -0.747 4.238 6.985 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.853 2.023 8.551 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.784 0.609 6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.583 3.183 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.782 2.337 5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.763 1.088 5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.215 1.183 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.955 2.674 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.512 1.745 3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.241 0.319 4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.145 1.179 3.898 1.00 0.00 H new ATOM 293 N SER A 28 0.108 1.404 9.761 1.00 0.00 N ATOM 294 CA SER A 28 1.207 0.861 10.497 1.00 0.00 C ATOM 295 C SER A 28 1.761 -0.364 9.855 1.00 0.00 C ATOM 296 O SER A 28 1.118 -1.413 9.858 1.00 0.00 O ATOM 297 CB SER A 28 0.840 0.439 11.930 1.00 0.00 C ATOM 298 OG SER A 28 0.549 1.584 12.718 1.00 0.00 O ATOM 0 H SER A 28 -0.797 1.131 10.144 1.00 0.00 H new ATOM 0 HA SER A 28 1.930 1.677 10.513 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.022 -0.228 11.911 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.664 -0.118 12.375 1.00 0.00 H new ATOM 0 HG SER A 28 0.315 1.304 13.628 1.00 0.00 H new ATOM 304 N VAL A 29 2.976 -0.284 9.285 1.00 0.00 N ATOM 305 CA VAL A 29 3.540 -1.341 8.503 1.00 0.00 C ATOM 306 C VAL A 29 4.251 -2.412 9.255 1.00 0.00 C ATOM 307 O VAL A 29 5.164 -2.179 10.046 1.00 0.00 O ATOM 308 CB VAL A 29 4.384 -0.791 7.392 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.473 0.010 6.447 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.530 0.084 7.926 1.00 0.00 C ATOM 0 H VAL A 29 3.581 0.533 9.369 1.00 0.00 H new ATOM 0 HA VAL A 29 2.675 -1.858 8.087 1.00 0.00 H new ATOM 0 HB VAL A 29 4.851 -1.615 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.067 0.420 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.702 -0.646 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.003 0.825 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.118 0.463 7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.117 0.921 8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.169 -0.511 8.578 1.00 0.00 H new ATOM 320 N THR A 30 3.852 -3.676 9.029 1.00 0.00 N ATOM 321 CA THR A 30 4.439 -4.869 9.554 1.00 0.00 C ATOM 322 C THR A 30 4.911 -5.756 8.454 1.00 0.00 C ATOM 323 O THR A 30 4.503 -5.655 7.298 1.00 0.00 O ATOM 324 CB THR A 30 3.533 -5.618 10.487 1.00 0.00 C ATOM 325 OG1 THR A 30 4.080 -6.813 11.024 1.00 0.00 O ATOM 326 CG2 THR A 30 2.198 -5.983 9.815 1.00 0.00 C ATOM 0 H THR A 30 3.052 -3.878 8.429 1.00 0.00 H new ATOM 0 HA THR A 30 5.295 -4.550 10.148 1.00 0.00 H new ATOM 0 HB THR A 30 3.386 -4.917 11.309 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.425 -7.234 11.620 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.570 -6.524 10.523 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.688 -5.072 9.500 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.388 -6.611 8.945 1.00 0.00 H new ATOM 334 N GLY A 31 5.816 -6.687 8.805 1.00 0.00 N ATOM 335 CA GLY A 31 6.356 -7.691 7.943 1.00 0.00 C ATOM 336 C GLY A 31 7.654 -7.281 7.335 1.00 0.00 C ATOM 337 O GLY A 31 8.608 -6.929 8.026 1.00 0.00 O ATOM 0 H GLY A 31 6.194 -6.741 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.498 -8.613 8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.640 -7.909 7.151 1.00 0.00 H new ATOM 341 N GLY A 32 7.723 -7.328 5.993 1.00 0.00 N ATOM 342 CA GLY A 32 8.859 -6.924 5.223 1.00 0.00 C ATOM 343 C GLY A 32 9.615 -8.137 4.805 1.00 0.00 C ATOM 344 O GLY A 32 9.763 -9.069 5.595 1.00 0.00 O ATOM 0 H GLY A 32 6.951 -7.663 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.539 -6.359 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.498 -6.266 5.811 1.00 0.00 H new ATOM 348 N VAL A 33 10.136 -8.160 3.564 1.00 0.00 N ATOM 349 CA VAL A 33 10.669 -9.321 2.922 1.00 0.00 C ATOM 350 C VAL A 33 11.762 -9.993 3.680 1.00 0.00 C ATOM 351 O VAL A 33 11.940 -11.207 3.583 1.00 0.00 O ATOM 352 CB VAL A 33 11.134 -9.075 1.517 1.00 0.00 C ATOM 353 CG1 VAL A 33 10.034 -8.379 0.699 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.458 -8.297 1.435 1.00 0.00 C ATOM 0 H VAL A 33 10.187 -7.326 2.980 1.00 0.00 H new ATOM 0 HA VAL A 33 9.811 -9.993 2.895 1.00 0.00 H new ATOM 0 HB VAL A 33 11.337 -10.055 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.389 -8.209 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.146 -9.011 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.786 -7.424 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.733 -8.156 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.339 -7.325 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.242 -8.858 1.944 1.00 0.00 H new ATOM 467 N GLY A 41 6.189 -8.862 1.017 1.00 0.00 N ATOM 468 CA GLY A 41 5.805 -7.508 0.761 1.00 0.00 C ATOM 469 C GLY A 41 5.596 -6.848 2.081 1.00 0.00 C ATOM 470 O GLY A 41 6.132 -7.327 3.078 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.577 -6.991 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.893 -7.474 0.166 1.00 0.00 H new ATOM 474 N ILE A 42 4.806 -5.761 2.150 1.00 0.00 N ATOM 475 CA ILE A 42 4.486 -5.137 3.396 1.00 0.00 C ATOM 476 C ILE A 42 3.023 -5.285 3.643 1.00 0.00 C ATOM 477 O ILE A 42 2.236 -5.569 2.742 1.00 0.00 O ATOM 478 CB ILE A 42 5.067 -3.767 3.583 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.529 -3.508 5.027 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.175 -2.575 3.197 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.795 -4.281 5.389 1.00 0.00 C ATOM 0 H ILE A 42 4.386 -5.312 1.336 1.00 0.00 H new ATOM 0 HA ILE A 42 4.999 -5.661 4.202 1.00 0.00 H new ATOM 0 HB ILE A 42 5.899 -3.804 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.709 -2.441 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.730 -3.785 5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.712 -1.644 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.915 -2.642 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.265 -2.592 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.074 -4.060 6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.611 -5.350 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.605 -3.986 4.722 1.00 0.00 H new ATOM 493 N TYR A 43 2.588 -5.206 4.912 1.00 0.00 N ATOM 494 CA TYR A 43 1.243 -5.515 5.286 1.00 0.00 C ATOM 495 C TYR A 43 0.846 -4.513 6.315 1.00 0.00 C ATOM 496 O TYR A 43 1.700 -3.946 6.995 1.00 0.00 O ATOM 497 CB TYR A 43 1.205 -6.876 6.002 1.00 0.00 C ATOM 498 CG TYR A 43 1.499 -8.036 5.113 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.779 -8.399 4.764 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.443 -8.808 4.688 1.00 0.00 C ATOM 501 CE1 TYR A 43 2.999 -9.495 3.964 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.658 -9.912 3.898 1.00 0.00 C ATOM 503 CZ TYR A 43 1.938 -10.248 3.520 1.00 0.00 C ATOM 504 OH TYR A 43 2.102 -11.359 2.667 1.00 0.00 O ATOM 0 H TYR A 43 3.180 -4.923 5.693 1.00 0.00 H new ATOM 0 HA TYR A 43 0.602 -5.519 4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.926 -6.866 6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.220 -7.013 6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.617 -7.819 5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.564 -8.545 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.007 -9.765 3.684 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.177 -10.515 3.574 1.00 0.00 H new ATOM 0 HH TYR A 43 1.226 -11.754 2.472 1.00 0.00 H new ATOM 514 N VAL A 44 -0.459 -4.258 6.514 1.00 0.00 N ATOM 515 CA VAL A 44 -0.905 -3.388 7.558 1.00 0.00 C ATOM 516 C VAL A 44 -1.130 -4.115 8.839 1.00 0.00 C ATOM 517 O VAL A 44 -1.882 -5.087 8.889 1.00 0.00 O ATOM 518 CB VAL A 44 -2.201 -2.711 7.223 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.417 -1.559 8.218 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.202 -2.202 5.772 1.00 0.00 C ATOM 0 H VAL A 44 -1.209 -4.656 5.949 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.106 -2.655 7.664 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.021 -3.424 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.356 -1.053 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.455 -1.957 9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.594 -0.849 8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.154 -1.716 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.391 -1.487 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.062 -3.042 5.092 1.00 0.00 H new ATOM 530 N LYS A 45 -0.532 -3.653 9.951 1.00 0.00 N ATOM 531 CA LYS A 45 -0.792 -4.152 11.266 1.00 0.00 C ATOM 532 C LYS A 45 -2.007 -3.497 11.826 1.00 0.00 C ATOM 533 O LYS A 45 -2.934 -4.141 12.315 1.00 0.00 O ATOM 534 CB LYS A 45 0.421 -3.910 12.181 1.00 0.00 C ATOM 535 CG LYS A 45 0.619 -4.915 13.318 1.00 0.00 C ATOM 536 CD LYS A 45 -0.387 -4.772 14.461 1.00 0.00 C ATOM 537 CE LYS A 45 -0.285 -5.790 15.599 1.00 0.00 C ATOM 538 NZ LYS A 45 1.002 -5.697 16.324 1.00 0.00 N ATOM 0 H LYS A 45 0.159 -2.903 9.934 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.967 -5.226 11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.320 -3.908 11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.330 -2.914 12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.550 -5.924 12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.626 -4.800 13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.279 -3.774 14.886 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.391 -4.832 14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.106 -5.632 16.299 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.400 -6.796 15.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.024 -6.406 17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.786 -5.874 15.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.102 -4.746 16.734 1.00 0.00 H new ATOM 552 N ALA A 46 -2.051 -2.154 11.768 1.00 0.00 N ATOM 553 CA ALA A 46 -3.090 -1.363 12.350 1.00 0.00 C ATOM 554 C ALA A 46 -3.486 -0.239 11.454 1.00 0.00 C ATOM 555 O ALA A 46 -2.648 0.422 10.842 1.00 0.00 O ATOM 556 CB ALA A 46 -2.626 -0.803 13.706 1.00 0.00 C ATOM 0 H ALA A 46 -1.336 -1.598 11.298 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.958 -2.006 12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.423 -0.201 14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.384 -1.628 14.377 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.742 -0.183 13.560 1.00 0.00 H new ATOM 562 N ILE A 47 -4.801 0.026 11.358 1.00 0.00 N ATOM 563 CA ILE A 47 -5.388 1.151 10.700 1.00 0.00 C ATOM 564 C ILE A 47 -5.667 2.176 11.745 1.00 0.00 C ATOM 565 O ILE A 47 -5.984 1.842 12.885 1.00 0.00 O ATOM 566 CB ILE A 47 -6.670 0.796 10.006 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.491 -0.399 9.054 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.317 1.975 9.260 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.586 -0.083 7.864 1.00 0.00 C ATOM 0 H ILE A 47 -5.502 -0.590 11.770 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.700 1.517 9.938 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.355 0.514 10.805 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.073 -1.239 9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.468 -0.714 8.687 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.239 1.642 8.783 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.542 2.774 9.967 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.629 2.346 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.499 -0.965 7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.015 0.737 7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.598 0.204 8.224 1.00 0.00 H new ATOM 581 N ILE A 48 -5.540 3.473 11.411 1.00 0.00 N ATOM 582 CA ILE A 48 -6.000 4.528 12.259 1.00 0.00 C ATOM 583 C ILE A 48 -7.330 5.027 11.808 1.00 0.00 C ATOM 584 O ILE A 48 -7.524 5.196 10.606 1.00 0.00 O ATOM 585 CB ILE A 48 -5.046 5.683 12.343 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.657 6.290 10.985 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.832 5.190 13.147 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.373 7.115 11.049 1.00 0.00 C ATOM 0 H ILE A 48 -5.113 3.793 10.542 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.077 4.093 13.255 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.535 6.519 12.843 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.532 5.489 10.257 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.471 6.921 10.628 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.104 5.996 13.238 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.155 4.879 14.141 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.375 4.344 12.634 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.150 7.518 10.061 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.503 7.936 11.754 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.549 6.481 11.377 1.00 0.00 H new ATOM 643 N ALA A 52 -6.008 8.645 5.139 1.00 0.00 N ATOM 644 CA ALA A 52 -6.289 8.386 3.762 1.00 0.00 C ATOM 645 C ALA A 52 -6.516 6.950 3.438 1.00 0.00 C ATOM 646 O ALA A 52 -7.381 6.605 2.634 1.00 0.00 O ATOM 647 CB ALA A 52 -5.077 8.937 2.992 1.00 0.00 C ATOM 0 HA ALA A 52 -7.228 8.865 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.220 8.774 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.977 10.005 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.173 8.423 3.320 1.00 0.00 H new ATOM 653 N ALA A 53 -5.776 6.026 4.078 1.00 0.00 N ATOM 654 CA ALA A 53 -5.878 4.625 3.814 1.00 0.00 C ATOM 655 C ALA A 53 -7.151 4.012 4.288 1.00 0.00 C ATOM 656 O ALA A 53 -7.809 3.257 3.573 1.00 0.00 O ATOM 657 CB ALA A 53 -4.654 3.927 4.433 1.00 0.00 C ATOM 0 H ALA A 53 -5.090 6.259 4.796 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.893 4.487 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.712 2.855 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.743 4.326 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.639 4.105 5.508 1.00 0.00 H new ATOM 663 N GLU A 54 -7.602 4.390 5.496 1.00 0.00 N ATOM 664 CA GLU A 54 -8.893 4.084 6.028 1.00 0.00 C ATOM 665 C GLU A 54 -9.993 4.642 5.192 1.00 0.00 C ATOM 666 O GLU A 54 -11.066 4.063 5.026 1.00 0.00 O ATOM 667 CB GLU A 54 -8.950 4.667 7.450 1.00 0.00 C ATOM 668 CG GLU A 54 -10.267 4.529 8.215 1.00 0.00 C ATOM 669 CD GLU A 54 -10.735 3.118 8.541 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.066 2.338 7.608 1.00 0.00 O ATOM 671 OE2 GLU A 54 -10.878 2.804 9.753 1.00 0.00 O ATOM 0 H GLU A 54 -7.033 4.941 6.138 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.036 3.003 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.166 4.192 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.705 5.727 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.174 5.079 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.049 5.019 7.634 1.00 0.00 H new ATOM 678 N SER A 55 -9.747 5.808 4.567 1.00 0.00 N ATOM 679 CA SER A 55 -10.691 6.448 3.703 1.00 0.00 C ATOM 680 C SER A 55 -11.109 5.703 2.483 1.00 0.00 C ATOM 681 O SER A 55 -12.235 5.885 2.022 1.00 0.00 O ATOM 682 CB SER A 55 -10.308 7.887 3.317 1.00 0.00 C ATOM 683 OG SER A 55 -9.534 8.028 2.135 1.00 0.00 O ATOM 0 H SER A 55 -8.870 6.319 4.665 1.00 0.00 H new ATOM 0 HA SER A 55 -11.566 6.465 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.224 8.467 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.755 8.329 4.145 1.00 0.00 H new ATOM 0 HG SER A 55 -8.623 7.707 2.300 1.00 0.00 H new ATOM 689 N ASP A 56 -10.267 4.822 1.913 1.00 0.00 N ATOM 690 CA ASP A 56 -10.588 4.005 0.784 1.00 0.00 C ATOM 691 C ASP A 56 -11.770 3.138 1.047 1.00 0.00 C ATOM 692 O ASP A 56 -12.875 3.368 0.559 1.00 0.00 O ATOM 693 CB ASP A 56 -9.370 3.177 0.341 1.00 0.00 C ATOM 694 CG ASP A 56 -9.736 2.278 -0.831 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.144 2.821 -1.892 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.748 1.031 -0.647 1.00 0.00 O ATOM 0 H ASP A 56 -9.318 4.673 2.256 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.858 4.670 -0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.555 3.842 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.012 2.572 1.174 1.00 0.00 H new ATOM 701 N GLY A 57 -11.566 2.073 1.844 1.00 0.00 N ATOM 702 CA GLY A 57 -12.647 1.303 2.377 1.00 0.00 C ATOM 703 C GLY A 57 -12.362 -0.159 2.347 1.00 0.00 C ATOM 704 O GLY A 57 -12.833 -0.913 3.195 1.00 0.00 O ATOM 0 H GLY A 57 -10.642 1.743 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.841 1.613 3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.553 1.507 1.806 1.00 0.00 H new ATOM 708 N ARG A 58 -11.575 -0.626 1.361 1.00 0.00 N ATOM 709 CA ARG A 58 -11.244 -2.012 1.245 1.00 0.00 C ATOM 710 C ARG A 58 -10.052 -2.411 2.046 1.00 0.00 C ATOM 711 O ARG A 58 -9.917 -3.585 2.387 1.00 0.00 O ATOM 712 CB ARG A 58 -11.120 -2.400 -0.238 1.00 0.00 C ATOM 713 CG ARG A 58 -12.495 -2.649 -0.860 1.00 0.00 C ATOM 714 CD ARG A 58 -12.464 -3.050 -2.336 1.00 0.00 C ATOM 715 NE ARG A 58 -12.577 -1.787 -3.119 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.786 -1.289 -3.508 1.00 0.00 C ATOM 717 NH1 ARG A 58 -14.824 -2.098 -3.873 1.00 0.00 N ATOM 718 NH2 ARG A 58 -14.004 0.058 -3.497 1.00 0.00 N ATOM 0 H ARG A 58 -11.164 -0.036 0.637 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.065 -2.581 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.609 -1.606 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.507 -3.296 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.998 -3.433 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.095 -1.745 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.539 -3.574 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.285 -3.727 -2.571 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.728 -1.281 -3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.710 -3.111 -3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.714 -1.689 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.263 0.692 -3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.908 0.431 -3.788 1.00 0.00 H new ATOM 732 N ILE A 59 -9.176 -1.463 2.423 1.00 0.00 N ATOM 733 CA ILE A 59 -8.040 -1.653 3.270 1.00 0.00 C ATOM 734 C ILE A 59 -8.432 -1.882 4.690 1.00 0.00 C ATOM 735 O ILE A 59 -9.265 -1.165 5.239 1.00 0.00 O ATOM 736 CB ILE A 59 -7.136 -0.456 3.241 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.882 0.021 1.801 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.813 -0.806 3.942 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.870 1.160 1.687 1.00 0.00 C ATOM 0 H ILE A 59 -9.269 -0.496 2.113 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.525 -2.533 2.884 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.621 0.364 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.530 -0.823 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.827 0.345 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.152 0.060 3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.013 -1.089 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.336 -1.638 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.749 1.436 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.227 2.022 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.910 0.836 2.090 1.00 0.00 H new ATOM 751 N HIS A 60 -7.842 -2.887 5.363 1.00 0.00 N ATOM 752 CA HIS A 60 -7.922 -3.000 6.786 1.00 0.00 C ATOM 753 C HIS A 60 -6.706 -3.672 7.327 1.00 0.00 C ATOM 754 O HIS A 60 -5.645 -3.690 6.707 1.00 0.00 O ATOM 755 CB HIS A 60 -9.218 -3.668 7.276 1.00 0.00 C ATOM 756 CG HIS A 60 -9.716 -3.080 8.563 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.478 -3.715 9.765 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.354 -1.896 8.765 1.00 0.00 C ATOM 759 CE1 HIS A 60 -9.989 -2.912 10.680 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.523 -1.788 10.130 1.00 0.00 N ATOM 0 H HIS A 60 -7.304 -3.629 4.915 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.959 -1.985 7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.988 -3.565 6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.044 -4.736 7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.664 -1.187 8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.984 -3.122 11.739 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.963 -1.015 10.630 1.00 0.00 H new ATOM 768 N LYS A 61 -6.785 -4.227 8.550 1.00 0.00 N ATOM 769 CA LYS A 61 -5.695 -4.884 9.201 1.00 0.00 C ATOM 770 C LYS A 61 -5.440 -6.240 8.637 1.00 0.00 C ATOM 771 O LYS A 61 -6.347 -7.058 8.494 1.00 0.00 O ATOM 772 CB LYS A 61 -5.983 -5.048 10.703 1.00 0.00 C ATOM 773 CG LYS A 61 -6.253 -3.725 11.423 1.00 0.00 C ATOM 774 CD LYS A 61 -6.427 -3.897 12.933 1.00 0.00 C ATOM 775 CE LYS A 61 -7.730 -4.582 13.351 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.780 -4.738 14.821 1.00 0.00 N ATOM 0 H LYS A 61 -7.640 -4.218 9.106 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.818 -4.257 9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.845 -5.703 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.134 -5.542 11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.428 -3.038 11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.151 -3.267 11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.588 -4.476 13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.380 -2.916 13.405 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.583 -3.994 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.805 -5.558 12.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.670 -5.204 15.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.976 -5.318 15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.730 -3.802 15.271 1.00 0.00 H new ATOM 790 N GLY A 62 -4.185 -6.551 8.266 1.00 0.00 N ATOM 791 CA GLY A 62 -3.825 -7.817 7.711 1.00 0.00 C ATOM 792 C GLY A 62 -4.076 -7.957 6.249 1.00 0.00 C ATOM 793 O GLY A 62 -4.204 -9.069 5.739 1.00 0.00 O ATOM 0 H GLY A 62 -3.401 -5.905 8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.766 -7.992 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.377 -8.597 8.236 1.00 0.00 H new ATOM 797 N ASP A 63 -4.141 -6.836 5.507 1.00 0.00 N ATOM 798 CA ASP A 63 -4.138 -6.839 4.077 1.00 0.00 C ATOM 799 C ASP A 63 -2.749 -6.639 3.574 1.00 0.00 C ATOM 800 O ASP A 63 -1.935 -5.943 4.178 1.00 0.00 O ATOM 801 CB ASP A 63 -5.036 -5.721 3.523 1.00 0.00 C ATOM 802 CG ASP A 63 -6.490 -6.130 3.709 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.926 -7.120 3.064 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.217 -5.491 4.516 1.00 0.00 O ATOM 0 H ASP A 63 -4.197 -5.902 5.913 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.523 -7.801 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.837 -4.784 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.822 -5.552 2.468 1.00 0.00 H new ATOM 809 N ARG A 64 -2.426 -7.233 2.412 1.00 0.00 N ATOM 810 CA ARG A 64 -1.125 -7.183 1.819 1.00 0.00 C ATOM 811 C ARG A 64 -1.031 -6.018 0.896 1.00 0.00 C ATOM 812 O ARG A 64 -1.894 -5.810 0.046 1.00 0.00 O ATOM 813 CB ARG A 64 -0.874 -8.476 1.025 1.00 0.00 C ATOM 814 CG ARG A 64 0.485 -8.581 0.329 1.00 0.00 C ATOM 815 CD ARG A 64 0.683 -9.951 -0.323 1.00 0.00 C ATOM 816 NE ARG A 64 2.006 -9.952 -1.009 1.00 0.00 N ATOM 817 CZ ARG A 64 2.556 -11.072 -1.559 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.955 -12.297 -1.511 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.745 -10.960 -2.221 1.00 0.00 N ATOM 0 H ARG A 64 -3.098 -7.770 1.863 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.379 -7.081 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.979 -9.322 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.655 -8.574 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.567 -7.802 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.280 -8.405 1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.644 -10.739 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.116 -10.151 -1.037 1.00 0.00 H new ATOM 0 HE ARG A 64 2.524 -9.075 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.053 -12.405 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.408 -13.105 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.203 -10.052 -2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.175 -11.784 -2.640 1.00 0.00 H new ATOM 833 N VAL A 65 0.019 -5.186 1.024 1.00 0.00 N ATOM 834 CA VAL A 65 0.379 -4.219 0.034 1.00 0.00 C ATOM 835 C VAL A 65 1.571 -4.745 -0.690 1.00 0.00 C ATOM 836 O VAL A 65 2.611 -5.057 -0.114 1.00 0.00 O ATOM 837 CB VAL A 65 0.490 -2.804 0.520 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.215 -2.746 1.875 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.171 -1.894 -0.518 1.00 0.00 C ATOM 0 H VAL A 65 0.634 -5.186 1.838 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.446 -4.105 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.522 -2.425 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.283 -1.710 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.658 -3.327 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.218 -3.160 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.232 -0.878 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.175 -2.264 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.589 -1.894 -1.439 1.00 0.00 H new ATOM 849 N LEU A 66 1.434 -4.937 -2.013 1.00 0.00 N ATOM 850 CA LEU A 66 2.439 -5.510 -2.856 1.00 0.00 C ATOM 851 C LEU A 66 3.211 -4.486 -3.614 1.00 0.00 C ATOM 852 O LEU A 66 4.390 -4.698 -3.890 1.00 0.00 O ATOM 853 CB LEU A 66 1.880 -6.588 -3.798 1.00 0.00 C ATOM 854 CG LEU A 66 0.623 -6.264 -4.624 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.648 -7.037 -5.953 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.658 -6.640 -3.861 1.00 0.00 C ATOM 0 H LEU A 66 0.586 -4.682 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 66 3.136 -6.002 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.672 -6.862 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.663 -7.472 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 66 0.623 -5.191 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.247 -6.800 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.533 -6.752 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.676 -8.108 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.529 -6.399 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.652 -7.708 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.703 -6.080 -2.927 1.00 0.00 H new ATOM 868 N ALA A 67 2.598 -3.346 -3.982 1.00 0.00 N ATOM 869 CA ALA A 67 3.316 -2.350 -4.714 1.00 0.00 C ATOM 870 C ALA A 67 2.799 -0.976 -4.461 1.00 0.00 C ATOM 871 O ALA A 67 1.667 -0.794 -4.016 1.00 0.00 O ATOM 872 CB ALA A 67 3.294 -2.662 -6.221 1.00 0.00 C ATOM 0 H ALA A 67 1.625 -3.117 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 67 4.346 -2.377 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.846 -1.892 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.758 -3.632 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.263 -2.683 -6.573 1.00 0.00 H new ATOM 878 N VAL A 68 3.625 0.057 -4.708 1.00 0.00 N ATOM 879 CA VAL A 68 3.274 1.421 -4.464 1.00 0.00 C ATOM 880 C VAL A 68 3.675 2.289 -5.607 1.00 0.00 C ATOM 881 O VAL A 68 4.861 2.344 -5.930 1.00 0.00 O ATOM 882 CB VAL A 68 3.944 1.962 -3.237 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.508 3.417 -2.991 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.625 1.087 -2.014 1.00 0.00 C ATOM 0 H VAL A 68 4.564 -0.061 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 68 2.192 1.433 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 68 5.022 1.944 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.001 3.799 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.786 4.030 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.427 3.455 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.121 1.497 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.548 1.071 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.980 0.072 -2.190 1.00 0.00 H new ATOM 894 N ASN A 69 2.748 3.006 -6.267 1.00 0.00 N ATOM 895 CA ASN A 69 2.966 3.719 -7.488 1.00 0.00 C ATOM 896 C ASN A 69 3.517 2.889 -8.597 1.00 0.00 C ATOM 897 O ASN A 69 4.230 3.367 -9.478 1.00 0.00 O ATOM 898 CB ASN A 69 3.793 5.002 -7.298 1.00 0.00 C ATOM 899 CG ASN A 69 3.036 5.993 -6.428 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.825 6.158 -6.568 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.761 6.709 -5.526 1.00 0.00 N ATOM 0 H ASN A 69 1.790 3.093 -5.928 1.00 0.00 H new ATOM 0 HA ASN A 69 1.963 4.013 -7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.751 4.761 -6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.010 5.450 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.301 7.407 -4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.764 6.548 -5.435 1.00 0.00 H new ATOM 908 N GLY A 70 3.189 1.585 -8.602 1.00 0.00 N ATOM 909 CA GLY A 70 3.740 0.623 -9.507 1.00 0.00 C ATOM 910 C GLY A 70 5.140 0.223 -9.192 1.00 0.00 C ATOM 911 O GLY A 70 5.861 -0.237 -10.076 1.00 0.00 O ATOM 0 H GLY A 70 2.514 1.184 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.110 -0.266 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.709 1.031 -10.517 1.00 0.00 H new ATOM 915 N VAL A 71 5.570 0.399 -7.930 1.00 0.00 N ATOM 916 CA VAL A 71 6.855 0.023 -7.428 1.00 0.00 C ATOM 917 C VAL A 71 6.658 -1.086 -6.453 1.00 0.00 C ATOM 918 O VAL A 71 6.235 -0.886 -5.316 1.00 0.00 O ATOM 919 CB VAL A 71 7.621 1.114 -6.738 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.061 0.649 -6.463 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.655 2.369 -7.627 1.00 0.00 C ATOM 0 H VAL A 71 4.983 0.831 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 71 7.449 -0.257 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 71 7.129 1.348 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.611 1.446 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.042 -0.235 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.551 0.407 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.212 3.158 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.140 2.131 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.637 2.708 -7.817 1.00 0.00 H new ATOM 931 N SER A 72 6.931 -2.333 -6.878 1.00 0.00 N ATOM 932 CA SER A 72 6.854 -3.500 -6.054 1.00 0.00 C ATOM 933 C SER A 72 7.860 -3.531 -4.955 1.00 0.00 C ATOM 934 O SER A 72 9.003 -3.098 -5.095 1.00 0.00 O ATOM 935 CB SER A 72 6.971 -4.819 -6.836 1.00 0.00 C ATOM 936 OG SER A 72 5.868 -4.953 -7.720 1.00 0.00 O ATOM 0 H SER A 72 7.217 -2.537 -7.836 1.00 0.00 H new ATOM 0 HA SER A 72 5.856 -3.422 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.904 -4.837 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.999 -5.661 -6.145 1.00 0.00 H new ATOM 0 HG SER A 72 5.948 -5.794 -8.217 1.00 0.00 H new ATOM 942 N LEU A 73 7.441 -4.065 -3.794 1.00 0.00 N ATOM 943 CA LEU A 73 8.216 -4.186 -2.599 1.00 0.00 C ATOM 944 C LEU A 73 9.158 -5.342 -2.636 1.00 0.00 C ATOM 945 O LEU A 73 9.097 -6.281 -1.843 1.00 0.00 O ATOM 946 CB LEU A 73 7.266 -4.280 -1.394 1.00 0.00 C ATOM 947 CG LEU A 73 6.569 -2.946 -1.081 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.322 -3.155 -0.206 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.513 -1.972 -0.354 1.00 0.00 C ATOM 0 H LEU A 73 6.498 -4.437 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 73 8.841 -3.298 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.512 -5.042 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.828 -4.606 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 73 6.276 -2.521 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.854 -2.192 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.615 -3.800 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.612 -3.622 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.986 -1.040 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.842 -2.417 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.380 -1.768 -0.982 1.00 0.00 H new ATOM 961 N GLU A 74 10.100 -5.306 -3.595 1.00 0.00 N ATOM 962 CA GLU A 74 11.138 -6.270 -3.785 1.00 0.00 C ATOM 963 C GLU A 74 12.360 -5.796 -3.077 1.00 0.00 C ATOM 964 O GLU A 74 12.807 -4.666 -3.263 1.00 0.00 O ATOM 965 CB GLU A 74 11.399 -6.424 -5.293 1.00 0.00 C ATOM 966 CG GLU A 74 12.454 -7.469 -5.662 1.00 0.00 C ATOM 967 CD GLU A 74 12.492 -7.626 -7.176 1.00 0.00 C ATOM 968 OE1 GLU A 74 12.824 -6.628 -7.870 1.00 0.00 O ATOM 969 OE2 GLU A 74 12.122 -8.720 -7.681 1.00 0.00 O ATOM 0 H GLU A 74 10.138 -4.553 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 74 10.851 -7.241 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.462 -6.686 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.709 -5.459 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.432 -7.163 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.219 -8.423 -5.191 1.00 0.00 H new ATOM 976 N GLY A 75 12.906 -6.605 -2.152 1.00 0.00 N ATOM 977 CA GLY A 75 13.970 -6.197 -1.288 1.00 0.00 C ATOM 978 C GLY A 75 13.536 -5.393 -0.111 1.00 0.00 C ATOM 979 O GLY A 75 14.335 -5.091 0.774 1.00 0.00 O ATOM 0 H GLY A 75 12.601 -7.566 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.493 -7.085 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.687 -5.614 -1.866 1.00 0.00 H new ATOM 983 N ALA A 76 12.253 -4.995 -0.044 1.00 0.00 N ATOM 984 CA ALA A 76 11.787 -4.046 0.919 1.00 0.00 C ATOM 985 C ALA A 76 11.428 -4.626 2.243 1.00 0.00 C ATOM 986 O ALA A 76 10.678 -5.589 2.394 1.00 0.00 O ATOM 987 CB ALA A 76 10.634 -3.183 0.380 1.00 0.00 C ATOM 0 H ALA A 76 11.525 -5.339 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 76 12.652 -3.406 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.316 -2.479 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.971 -2.633 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.796 -3.825 0.107 1.00 0.00 H new ATOM 993 N THR A 77 11.984 -4.015 3.305 1.00 0.00 N ATOM 994 CA THR A 77 11.873 -4.419 4.673 1.00 0.00 C ATOM 995 C THR A 77 10.775 -3.637 5.307 1.00 0.00 C ATOM 996 O THR A 77 9.992 -2.975 4.628 1.00 0.00 O ATOM 997 CB THR A 77 13.147 -4.155 5.419 1.00 0.00 C ATOM 998 OG1 THR A 77 13.492 -2.778 5.461 1.00 0.00 O ATOM 999 CG2 THR A 77 14.281 -4.842 4.642 1.00 0.00 C ATOM 0 H THR A 77 12.554 -3.176 3.198 1.00 0.00 H new ATOM 0 HA THR A 77 11.666 -5.489 4.709 1.00 0.00 H new ATOM 0 HB THR A 77 13.010 -4.518 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.328 -2.665 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.228 -4.673 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.086 -5.913 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.335 -4.428 3.635 1.00 0.00 H new ATOM 1007 N HIS A 78 10.703 -3.594 6.650 1.00 0.00 N ATOM 1008 CA HIS A 78 9.914 -2.617 7.334 1.00 0.00 C ATOM 1009 C HIS A 78 10.381 -1.226 7.072 1.00 0.00 C ATOM 1010 O HIS A 78 9.583 -0.372 6.690 1.00 0.00 O ATOM 1011 CB HIS A 78 9.885 -2.859 8.853 1.00 0.00 C ATOM 1012 CG HIS A 78 9.400 -1.724 9.706 1.00 0.00 C ATOM 1013 ND1 HIS A 78 9.822 -1.616 11.005 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.679 -0.601 9.443 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.415 -0.466 11.508 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.714 0.161 10.581 1.00 0.00 N ATOM 0 H HIS A 78 11.195 -4.241 7.266 1.00 0.00 H new ATOM 0 HA HIS A 78 8.905 -2.728 6.937 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.253 -3.725 9.048 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.893 -3.121 9.175 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.367 -2.317 11.506 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.177 -0.358 8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.619 -0.101 12.504 1.00 0.00 H new ATOM 1025 N LYS A 79 11.680 -0.931 7.255 1.00 0.00 N ATOM 1026 CA LYS A 79 12.221 0.381 7.078 1.00 0.00 C ATOM 1027 C LYS A 79 12.173 0.837 5.660 1.00 0.00 C ATOM 1028 O LYS A 79 11.799 1.972 5.369 1.00 0.00 O ATOM 1029 CB LYS A 79 13.666 0.469 7.597 1.00 0.00 C ATOM 1030 CG LYS A 79 13.807 0.164 9.089 1.00 0.00 C ATOM 1031 CD LYS A 79 15.196 0.537 9.611 1.00 0.00 C ATOM 1032 CE LYS A 79 15.462 0.184 11.076 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.860 -1.234 11.224 1.00 0.00 N ATOM 0 H LYS A 79 12.374 -1.624 7.534 1.00 0.00 H new ATOM 0 HA LYS A 79 11.587 1.045 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.287 -0.227 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.051 1.470 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.048 0.713 9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.625 -0.896 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.944 0.039 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.338 1.610 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.248 0.828 11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.566 0.376 11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.033 -1.443 12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.099 -1.847 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.728 -1.410 10.679 1.00 0.00 H new ATOM 1047 N GLN A 80 12.502 -0.047 4.701 1.00 0.00 N ATOM 1048 CA GLN A 80 12.416 0.228 3.300 1.00 0.00 C ATOM 1049 C GLN A 80 11.025 0.343 2.782 1.00 0.00 C ATOM 1050 O GLN A 80 10.749 1.163 1.907 1.00 0.00 O ATOM 1051 CB GLN A 80 13.213 -0.862 2.564 1.00 0.00 C ATOM 1052 CG GLN A 80 13.921 -0.355 1.307 1.00 0.00 C ATOM 1053 CD GLN A 80 14.887 -1.413 0.789 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.837 -1.778 1.479 1.00 0.00 O ATOM 1055 NE2 GLN A 80 14.655 -1.941 -0.443 1.00 0.00 N ATOM 0 H GLN A 80 12.840 -0.987 4.908 1.00 0.00 H new ATOM 0 HA GLN A 80 12.842 1.214 3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.954 -1.282 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.538 -1.672 2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.187 -0.114 0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.462 0.565 1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.859 -1.620 -0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.277 -2.658 -0.816 1.00 0.00 H new ATOM 1064 N ALA A 81 10.045 -0.417 3.302 1.00 0.00 N ATOM 1065 CA ALA A 81 8.667 -0.221 2.973 1.00 0.00 C ATOM 1066 C ALA A 81 8.115 1.088 3.421 1.00 0.00 C ATOM 1067 O ALA A 81 7.294 1.688 2.729 1.00 0.00 O ATOM 1068 CB ALA A 81 7.800 -1.335 3.582 1.00 0.00 C ATOM 0 H ALA A 81 10.211 -1.178 3.960 1.00 0.00 H new ATOM 0 HA ALA A 81 8.633 -0.241 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.755 -1.167 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.121 -2.301 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.908 -1.328 4.667 1.00 0.00 H new ATOM 1074 N VAL A 82 8.588 1.616 4.565 1.00 0.00 N ATOM 1075 CA VAL A 82 8.310 2.956 4.978 1.00 0.00 C ATOM 1076 C VAL A 82 8.780 3.934 3.956 1.00 0.00 C ATOM 1077 O VAL A 82 7.966 4.721 3.475 1.00 0.00 O ATOM 1078 CB VAL A 82 8.867 3.352 6.314 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.727 4.856 6.605 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.119 2.557 7.397 1.00 0.00 C ATOM 0 H VAL A 82 9.177 1.099 5.218 1.00 0.00 H new ATOM 0 HA VAL A 82 7.225 2.977 5.082 1.00 0.00 H new ATOM 0 HB VAL A 82 9.934 3.131 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.148 5.078 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.260 5.425 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.673 5.132 6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.506 2.827 8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.055 2.790 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.265 1.490 7.231 1.00 0.00 H new ATOM 1090 N GLU A 83 10.048 3.897 3.511 1.00 0.00 N ATOM 1091 CA GLU A 83 10.546 4.738 2.468 1.00 0.00 C ATOM 1092 C GLU A 83 9.741 4.724 1.215 1.00 0.00 C ATOM 1093 O GLU A 83 9.457 5.767 0.629 1.00 0.00 O ATOM 1094 CB GLU A 83 12.008 4.419 2.109 1.00 0.00 C ATOM 1095 CG GLU A 83 12.974 4.558 3.288 1.00 0.00 C ATOM 1096 CD GLU A 83 14.428 4.576 2.839 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.936 3.511 2.396 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.071 5.657 2.905 1.00 0.00 O ATOM 0 H GLU A 83 10.750 3.261 3.889 1.00 0.00 H new ATOM 0 HA GLU A 83 10.470 5.737 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.064 3.402 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.329 5.083 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.752 5.476 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.820 3.732 3.982 1.00 0.00 H new ATOM 1105 N THR A 84 9.284 3.524 0.810 1.00 0.00 N ATOM 1106 CA THR A 84 8.469 3.239 -0.330 1.00 0.00 C ATOM 1107 C THR A 84 7.123 3.876 -0.303 1.00 0.00 C ATOM 1108 O THR A 84 6.574 4.198 -1.356 1.00 0.00 O ATOM 1109 CB THR A 84 8.360 1.758 -0.544 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.652 1.170 -0.569 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.722 1.349 -1.883 1.00 0.00 C ATOM 0 H THR A 84 9.508 2.676 1.331 1.00 0.00 H new ATOM 0 HA THR A 84 8.981 3.693 -1.178 1.00 0.00 H new ATOM 0 HB THR A 84 7.732 1.419 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.973 1.047 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.684 0.262 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.711 1.752 -1.942 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.318 1.744 -2.706 1.00 0.00 H new ATOM 1119 N LEU A 85 6.531 4.107 0.882 1.00 0.00 N ATOM 1120 CA LEU A 85 5.321 4.847 1.070 1.00 0.00 C ATOM 1121 C LEU A 85 5.510 6.283 1.415 1.00 0.00 C ATOM 1122 O LEU A 85 4.804 7.164 0.924 1.00 0.00 O ATOM 1123 CB LEU A 85 4.505 4.225 2.215 1.00 0.00 C ATOM 1124 CG LEU A 85 3.986 2.809 1.908 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.579 2.081 3.200 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.808 2.823 0.920 1.00 0.00 C ATOM 0 H LEU A 85 6.919 3.758 1.758 1.00 0.00 H new ATOM 0 HA LEU A 85 4.816 4.798 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.123 4.189 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.657 4.873 2.438 1.00 0.00 H new ATOM 0 HG LEU A 85 4.808 2.269 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.216 1.083 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.443 2.002 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.790 2.642 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.477 1.801 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.986 3.400 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.126 3.277 -0.018 1.00 0.00 H new ATOM 1138 N ARG A 86 6.487 6.595 2.285 1.00 0.00 N ATOM 1139 CA ARG A 86 6.741 7.865 2.891 1.00 0.00 C ATOM 1140 C ARG A 86 7.378 8.833 1.954 1.00 0.00 C ATOM 1141 O ARG A 86 6.914 9.959 1.786 1.00 0.00 O ATOM 1142 CB ARG A 86 7.633 7.637 4.123 1.00 0.00 C ATOM 1143 CG ARG A 86 8.033 8.877 4.926 1.00 0.00 C ATOM 1144 CD ARG A 86 9.474 9.250 4.575 1.00 0.00 C ATOM 1145 NE ARG A 86 9.847 10.486 5.318 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.396 10.498 6.568 1.00 0.00 C ATOM 1147 NH1 ARG A 86 10.793 9.365 7.216 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.587 11.705 7.179 1.00 0.00 N ATOM 0 H ARG A 86 7.160 5.892 2.591 1.00 0.00 H new ATOM 0 HA ARG A 86 5.788 8.309 3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.116 6.950 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.544 7.137 3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.363 9.706 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.944 8.679 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.149 8.435 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.571 9.412 3.501 1.00 0.00 H new ATOM 0 HE ARG A 86 9.681 11.383 4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.685 8.456 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.198 9.427 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.321 12.566 6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.995 11.745 8.113 1.00 0.00 H new ATOM 1162 N ASN A 87 8.467 8.433 1.273 1.00 0.00 N ATOM 1163 CA ASN A 87 9.319 9.301 0.523 1.00 0.00 C ATOM 1164 C ASN A 87 8.867 9.384 -0.894 1.00 0.00 C ATOM 1165 O ASN A 87 9.643 9.343 -1.848 1.00 0.00 O ATOM 1166 CB ASN A 87 10.764 8.787 0.644 1.00 0.00 C ATOM 1167 CG ASN A 87 11.776 9.872 0.305 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.806 10.922 0.943 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.623 9.638 -0.733 1.00 0.00 N ATOM 0 H ASN A 87 8.767 7.458 1.245 1.00 0.00 H new ATOM 0 HA ASN A 87 9.274 10.315 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.940 8.429 1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.905 7.936 -0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.308 10.344 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.573 8.756 -1.243 1.00 0.00 H new ATOM 1176 N THR A 88 7.539 9.492 -1.084 1.00 0.00 N ATOM 1177 CA THR A 88 6.834 9.480 -2.327 1.00 0.00 C ATOM 1178 C THR A 88 6.429 10.855 -2.734 1.00 0.00 C ATOM 1179 O THR A 88 6.437 11.795 -1.940 1.00 0.00 O ATOM 1180 CB THR A 88 5.604 8.631 -2.202 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.834 9.018 -1.073 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.063 7.183 -1.962 1.00 0.00 C ATOM 0 H THR A 88 6.904 9.597 -0.293 1.00 0.00 H new ATOM 0 HA THR A 88 7.502 9.073 -3.086 1.00 0.00 H new ATOM 0 HB THR A 88 5.004 8.738 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.979 8.380 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.191 6.536 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.671 6.850 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.653 7.135 -1.047 1.00 0.00 H new ATOM 1190 N GLY A 89 6.045 11.036 -4.011 1.00 0.00 N ATOM 1191 CA GLY A 89 5.605 12.286 -4.549 1.00 0.00 C ATOM 1192 C GLY A 89 4.151 12.533 -4.341 1.00 0.00 C ATOM 1193 O GLY A 89 3.402 12.732 -5.296 1.00 0.00 O ATOM 0 H GLY A 89 6.041 10.280 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.174 13.093 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.823 12.312 -5.617 1.00 0.00 H new ATOM 1197 N GLN A 90 3.725 12.530 -3.064 1.00 0.00 N ATOM 1198 CA GLN A 90 2.438 12.875 -2.545 1.00 0.00 C ATOM 1199 C GLN A 90 1.323 11.927 -2.825 1.00 0.00 C ATOM 1200 O GLN A 90 0.585 11.535 -1.922 1.00 0.00 O ATOM 1201 CB GLN A 90 2.077 14.328 -2.896 1.00 0.00 C ATOM 1202 CG GLN A 90 0.912 14.899 -2.084 1.00 0.00 C ATOM 1203 CD GLN A 90 0.705 16.373 -2.399 1.00 0.00 C ATOM 1204 OE1 GLN A 90 1.122 16.895 -3.432 1.00 0.00 O ATOM 1205 NE2 GLN A 90 0.015 17.076 -1.461 1.00 0.00 N ATOM 0 H GLN A 90 4.358 12.254 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 90 2.553 12.782 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.955 14.956 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.828 14.383 -3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.001 14.344 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.109 14.774 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.316 16.610 -0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.172 18.069 -1.603 1.00 0.00 H new ATOM 1214 N VAL A 91 1.162 11.492 -4.088 1.00 0.00 N ATOM 1215 CA VAL A 91 0.244 10.455 -4.446 1.00 0.00 C ATOM 1216 C VAL A 91 0.843 9.129 -4.126 1.00 0.00 C ATOM 1217 O VAL A 91 1.965 8.799 -4.508 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.226 10.500 -5.870 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -0.973 9.224 -6.293 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.154 11.720 -5.997 1.00 0.00 C ATOM 0 H VAL A 91 1.683 11.870 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.654 10.621 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 91 0.639 10.574 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.289 9.315 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.312 8.364 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.849 9.088 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.521 11.793 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.998 11.608 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.602 12.625 -5.745 1.00 0.00 H new ATOM 1230 N VAL A 92 0.070 8.315 -3.387 1.00 0.00 N ATOM 1231 CA VAL A 92 0.387 6.947 -3.116 1.00 0.00 C ATOM 1232 C VAL A 92 -0.704 6.136 -3.725 1.00 0.00 C ATOM 1233 O VAL A 92 -1.792 5.973 -3.176 1.00 0.00 O ATOM 1234 CB VAL A 92 0.535 6.692 -1.645 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.776 5.202 -1.351 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.732 7.512 -1.138 1.00 0.00 C ATOM 0 H VAL A 92 -0.806 8.619 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 92 1.351 6.674 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.386 6.984 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.878 5.055 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.068 4.618 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.688 4.876 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.861 7.344 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.634 7.203 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.550 8.571 -1.319 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.449 5.586 -4.925 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.247 4.570 -5.540 1.00 0.00 C ATOM 1248 C HIS A 93 -0.897 3.267 -4.910 1.00 0.00 C ATOM 1249 O HIS A 93 0.192 2.742 -5.138 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.999 4.555 -7.057 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.851 3.639 -7.886 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.264 2.613 -8.597 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.167 3.748 -8.211 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -2.232 2.109 -9.337 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.409 2.765 -9.149 1.00 0.00 N ATOM 0 H HIS A 93 0.351 5.862 -5.494 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.309 4.765 -5.391 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.133 5.570 -7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.045 4.289 -7.225 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.878 4.459 -7.816 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.106 1.275 -10.012 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.297 2.569 -9.611 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.754 2.698 -4.043 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.469 1.471 -3.368 1.00 0.00 C ATOM 1265 C LEU A 94 -1.927 0.309 -4.180 1.00 0.00 C ATOM 1266 O LEU A 94 -3.104 0.208 -4.523 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.120 1.268 -1.989 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.592 2.189 -0.876 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.660 2.364 0.218 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.263 1.665 -0.308 1.00 0.00 C ATOM 0 H LEU A 94 -2.662 3.098 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.390 1.533 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.195 1.421 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.971 0.232 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.386 3.172 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.275 3.018 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.557 2.806 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.906 1.392 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.087 2.336 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.412 0.668 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.480 1.619 -1.104 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.036 -0.655 -4.472 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.438 -1.926 -4.988 1.00 0.00 C ATOM 1284 C LEU A 95 -1.600 -2.871 -3.848 1.00 0.00 C ATOM 1285 O LEU A 95 -0.624 -3.376 -3.295 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.399 -2.458 -5.990 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.018 -3.138 -7.223 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.109 -3.803 -8.031 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.132 -4.137 -6.865 1.00 0.00 C ATOM 0 H LEU A 95 -0.029 -0.552 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.385 -1.824 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.230 -1.631 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.251 -3.170 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.508 -2.376 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.312 -4.291 -8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.827 -3.046 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.612 -4.545 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.528 -4.583 -7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.726 -4.920 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.932 -3.617 -6.339 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.866 -3.108 -3.460 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.276 -3.974 -2.398 1.00 0.00 C ATOM 1303 C LEU A 96 -3.745 -5.291 -2.911 1.00 0.00 C ATOM 1304 O LEU A 96 -4.320 -5.372 -3.995 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.454 -3.352 -1.627 1.00 0.00 C ATOM 1306 CG LEU A 96 -4.049 -2.176 -0.723 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.753 -0.867 -1.114 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.361 -2.544 0.738 1.00 0.00 C ATOM 0 H LEU A 96 -3.659 -2.662 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.406 -4.111 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.203 -3.009 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.925 -4.123 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.980 -2.000 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.433 -0.068 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.494 -0.607 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.832 -0.996 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.078 -1.717 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.428 -2.741 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.798 -3.435 1.017 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.540 -6.366 -2.128 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.224 -7.613 -2.272 1.00 0.00 C ATOM 1322 C GLU A 97 -5.016 -7.815 -1.026 1.00 0.00 C ATOM 1323 O GLU A 97 -4.554 -7.557 0.085 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.310 -8.838 -2.443 1.00 0.00 C ATOM 1325 CG GLU A 97 -4.060 -10.145 -2.707 1.00 0.00 C ATOM 1326 CD GLU A 97 -3.177 -11.368 -2.908 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -2.550 -11.858 -1.931 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -3.157 -11.904 -4.049 1.00 0.00 O ATOM 0 H GLU A 97 -2.868 -6.365 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.821 -7.547 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.623 -8.653 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.704 -8.954 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.732 -10.335 -1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.682 -10.016 -3.593 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.259 -8.308 -1.176 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.120 -8.629 -0.082 1.00 0.00 C ATOM 1337 C LYS A 98 -6.638 -9.791 0.716 1.00 0.00 C ATOM 1338 O LYS A 98 -6.366 -10.867 0.184 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.535 -8.914 -0.614 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.648 -8.851 0.434 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.970 -7.418 0.866 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.051 -7.350 1.946 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.590 -5.975 2.041 1.00 0.00 N ATOM 0 H LYS A 98 -6.677 -8.489 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.127 -7.769 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.760 -8.198 -1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.542 -9.904 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.548 -9.316 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.353 -9.432 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.062 -6.943 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.296 -6.846 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.854 -8.048 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.635 -7.653 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.236 -5.911 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.806 -5.303 2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.107 -5.744 1.169 1.00 0.00 H new ATOM 1434 N LEU B 206 9.250 -2.761 15.023 1.00 0.00 N ATOM 1435 CA LEU B 206 8.203 -2.913 14.061 1.00 0.00 C ATOM 1436 C LEU B 206 7.296 -1.730 14.064 1.00 0.00 C ATOM 1437 O LEU B 206 7.198 -1.031 15.071 1.00 0.00 O ATOM 1438 CB LEU B 206 7.344 -4.144 14.396 1.00 0.00 C ATOM 1439 CG LEU B 206 6.382 -4.664 13.314 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.184 -5.210 12.121 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.528 -5.768 13.960 1.00 0.00 C ATOM 0 HA LEU B 206 8.678 -3.022 13.086 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.017 -4.958 14.665 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.755 -3.910 15.283 1.00 0.00 H new ATOM 0 HG LEU B 206 5.741 -3.867 12.937 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.497 -5.577 11.358 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.800 -4.414 11.702 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.824 -6.026 12.456 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.829 -6.165 13.224 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.177 -6.569 14.314 1.00 0.00 H new ATOM 0 HD23 LEU B 206 4.972 -5.353 14.801 1.00 0.00 H new ATOM 1453 N VAL B 207 6.568 -1.491 12.959 1.00 0.00 N ATOM 1454 CA VAL B 207 5.463 -0.585 12.912 1.00 0.00 C ATOM 1455 C VAL B 207 5.844 0.852 12.814 1.00 0.00 C ATOM 1456 O VAL B 207 6.580 1.426 13.615 1.00 0.00 O ATOM 1457 CB VAL B 207 4.340 -0.920 13.849 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.557 0.310 14.340 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.422 -1.957 13.179 1.00 0.00 C ATOM 0 H VAL B 207 6.756 -1.945 12.065 1.00 0.00 H new ATOM 0 HA VAL B 207 5.003 -0.762 11.940 1.00 0.00 H new ATOM 0 HB VAL B 207 4.776 -1.345 14.753 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.761 -0.010 15.013 1.00 0.00 H new ATOM 0 HG12 VAL B 207 4.231 0.983 14.869 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.123 0.830 13.486 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.602 -2.207 13.853 1.00 0.00 H new ATOM 0 HG22 VAL B 207 3.019 -1.543 12.255 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.994 -2.857 12.954 1.00 0.00 H new ATOM 1469 N THR B 208 5.345 1.500 11.747 1.00 0.00 N ATOM 1470 CA THR B 208 5.518 2.899 11.505 1.00 0.00 C ATOM 1471 C THR B 208 4.252 3.282 10.818 1.00 0.00 C ATOM 1472 O THR B 208 3.912 2.650 9.819 1.00 0.00 O ATOM 1473 CB THR B 208 6.626 3.225 10.547 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.880 2.751 11.013 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.781 4.737 10.315 1.00 0.00 C ATOM 0 H THR B 208 4.799 1.031 11.024 1.00 0.00 H new ATOM 0 HA THR B 208 5.751 3.406 12.441 1.00 0.00 H new ATOM 0 HB THR B 208 6.345 2.732 9.616 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.849 1.775 11.101 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.596 4.916 9.614 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.855 5.139 9.904 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.002 5.230 11.262 1.00 0.00 H new ATOM 1483 N SER B 209 3.514 4.286 11.325 1.00 0.00 N ATOM 1484 CA SER B 209 2.408 4.887 10.647 1.00 0.00 C ATOM 1485 C SER B 209 2.910 5.785 9.570 1.00 0.00 C ATOM 1486 O SER B 209 3.812 6.594 9.781 1.00 0.00 O ATOM 1487 CB SER B 209 1.416 5.608 11.576 1.00 0.00 C ATOM 1488 OG SER B 209 2.060 6.455 12.516 1.00 0.00 O ATOM 0 H SER B 209 3.695 4.694 12.242 1.00 0.00 H new ATOM 0 HA SER B 209 1.828 4.077 10.205 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.725 6.199 10.974 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.820 4.867 12.109 1.00 0.00 H new ATOM 0 HG SER B 209 1.387 6.890 13.080 1.00 0.00 H new ATOM 1494 N VAL B 210 2.395 5.625 8.338 1.00 0.00 N ATOM 1495 CA VAL B 210 2.993 6.137 7.143 1.00 0.00 C ATOM 1496 C VAL B 210 1.842 6.147 6.147 1.00 0.00 C ATOM 1497 O VAL B 210 0.756 5.578 6.434 1.00 0.00 O ATOM 1498 CB VAL B 210 4.160 5.311 6.690 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.761 3.858 6.379 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.843 5.975 5.483 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.985 6.841 5.104 1.00 0.00 O ATOM 0 H VAL B 210 1.526 5.118 8.167 1.00 0.00 H new ATOM 0 HA VAL B 210 3.428 7.128 7.276 1.00 0.00 H new ATOM 0 HB VAL B 210 4.873 5.265 7.513 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.640 3.301 6.055 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.347 3.395 7.275 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.013 3.848 5.586 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.689 5.366 5.163 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.129 6.063 4.664 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.196 6.967 5.765 1.00 0.00 H new