USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 576 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 TYR OH : rot 30:sc= -0.56 USER MOD Single : A 8 MET CE :methyl -117:sc= -1.99 (180deg=-5.27!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0168) USER MOD Single : A 20 CYS SG : rot 160:sc= -0.748 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.382) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 66:sc= 1.11 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -0.0396 (180deg=-0.311) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.552 F(o=-1.4,f=-0.55) USER MOD Single : A 47 GLN : amide:sc= -0.0434 K(o=-0.043,f=-3.2!) USER MOD Single : A 48 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 1.1 (180deg=0.701) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -55:sc= 0.0146 USER MOD Single : A 71 ASN : amide:sc= -0.0418 X(o=-0.042,f=-0.1) USER MOD Single : A 72 SER OG : rot 111:sc= 0.764 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.970 -14.278 4.189 1.00 0.00 N ATOM 60 CA GLY A 7 5.461 -12.971 3.819 1.00 0.00 C ATOM 61 C GLY A 7 6.542 -11.908 3.814 1.00 0.00 C ATOM 62 O GLY A 7 7.713 -12.204 4.047 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.007 -13.028 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.674 -12.681 4.515 1.00 0.00 H new ATOM 66 N MET A 8 6.148 -10.667 3.546 1.00 0.00 N ATOM 67 CA MET A 8 7.093 -9.557 3.510 1.00 0.00 C ATOM 68 C MET A 8 6.522 -8.334 4.221 1.00 0.00 C ATOM 69 O MET A 8 5.310 -8.218 4.396 1.00 0.00 O ATOM 70 CB MET A 8 7.443 -9.203 2.063 1.00 0.00 C ATOM 71 CG MET A 8 6.431 -8.282 1.401 1.00 0.00 C ATOM 72 SD MET A 8 6.908 -7.816 -0.274 1.00 0.00 S ATOM 73 CE MET A 8 5.360 -7.165 -0.898 1.00 0.00 C ATOM 0 H MET A 8 5.182 -10.405 3.351 1.00 0.00 H new ATOM 0 HA MET A 8 8.000 -9.867 4.030 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.424 -8.728 2.041 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.521 -10.122 1.481 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.460 -8.776 1.374 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.315 -7.382 2.005 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.018 -7.777 -1.733 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.612 -7.182 -0.105 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.507 -6.139 -1.236 1.00 0.00 H new ATOM 83 N GLN A 9 7.404 -7.427 4.628 1.00 0.00 N ATOM 84 CA GLN A 9 6.986 -6.214 5.321 1.00 0.00 C ATOM 85 C GLN A 9 6.974 -5.021 4.370 1.00 0.00 C ATOM 86 O GLN A 9 7.823 -4.910 3.485 1.00 0.00 O ATOM 87 CB GLN A 9 7.915 -5.930 6.502 1.00 0.00 C ATOM 88 CG GLN A 9 7.438 -4.795 7.393 1.00 0.00 C ATOM 89 CD GLN A 9 8.425 -4.462 8.494 1.00 0.00 C ATOM 90 OE1 GLN A 9 8.376 -5.037 9.582 1.00 0.00 O ATOM 91 NE2 GLN A 9 9.329 -3.529 8.218 1.00 0.00 N ATOM 0 H GLN A 9 8.411 -7.509 4.490 1.00 0.00 H new ATOM 0 HA GLN A 9 5.974 -6.369 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.013 -6.835 7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.908 -5.690 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.266 -3.908 6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.481 -5.066 7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.333 -3.078 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.019 -3.264 8.921 1.00 0.00 H new ATOM 100 N LEU A 10 6.005 -4.131 4.559 1.00 0.00 N ATOM 101 CA LEU A 10 5.882 -2.945 3.718 1.00 0.00 C ATOM 102 C LEU A 10 5.551 -1.715 4.556 1.00 0.00 C ATOM 103 O LEU A 10 4.650 -1.746 5.396 1.00 0.00 O ATOM 104 CB LEU A 10 4.801 -3.159 2.656 1.00 0.00 C ATOM 105 CG LEU A 10 5.093 -4.233 1.608 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.929 -4.363 0.638 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.379 -3.911 0.859 1.00 0.00 C ATOM 0 H LEU A 10 5.294 -4.208 5.286 1.00 0.00 H new ATOM 0 HA LEU A 10 6.840 -2.778 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.870 -3.416 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.634 -2.213 2.141 1.00 0.00 H new ATOM 0 HG LEU A 10 5.222 -5.187 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.155 -5.132 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.028 -4.639 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.768 -3.411 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.572 -4.686 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.278 -2.947 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.210 -3.869 1.564 1.00 0.00 H new ATOM 119 N THR A 11 6.283 -0.631 4.322 1.00 0.00 N ATOM 120 CA THR A 11 6.067 0.611 5.055 1.00 0.00 C ATOM 121 C THR A 11 5.428 1.670 4.165 1.00 0.00 C ATOM 122 O THR A 11 6.066 2.198 3.254 1.00 0.00 O ATOM 123 CB THR A 11 7.387 1.164 5.624 1.00 0.00 C ATOM 124 OG1 THR A 11 8.149 0.104 6.214 1.00 0.00 O ATOM 125 CG2 THR A 11 7.119 2.241 6.664 1.00 0.00 C ATOM 0 H THR A 11 7.031 -0.587 3.630 1.00 0.00 H new ATOM 0 HA THR A 11 5.393 0.378 5.880 1.00 0.00 H new ATOM 0 HB THR A 11 7.953 1.605 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.987 0.464 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.066 2.616 7.051 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.565 3.060 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.534 1.820 7.482 1.00 0.00 H new ATOM 133 N VAL A 12 4.163 1.977 4.434 1.00 0.00 N ATOM 134 CA VAL A 12 3.437 2.976 3.658 1.00 0.00 C ATOM 135 C VAL A 12 3.708 4.382 4.181 1.00 0.00 C ATOM 136 O VAL A 12 3.514 4.665 5.364 1.00 0.00 O ATOM 137 CB VAL A 12 1.919 2.713 3.686 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.179 3.777 2.890 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.610 1.323 3.151 1.00 0.00 C ATOM 0 H VAL A 12 3.620 1.548 5.183 1.00 0.00 H new ATOM 0 HA VAL A 12 3.793 2.899 2.631 1.00 0.00 H new ATOM 0 HB VAL A 12 1.577 2.763 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.108 3.575 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.376 4.758 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.522 3.761 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.534 1.154 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.965 1.241 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.110 0.576 3.768 1.00 0.00 H new ATOM 149 N LYS A 13 4.157 5.261 3.293 1.00 0.00 N ATOM 150 CA LYS A 13 4.454 6.640 3.662 1.00 0.00 C ATOM 151 C LYS A 13 3.654 7.617 2.807 1.00 0.00 C ATOM 152 O LYS A 13 3.737 7.594 1.580 1.00 0.00 O ATOM 153 CB LYS A 13 5.951 6.920 3.510 1.00 0.00 C ATOM 154 CG LYS A 13 6.409 8.184 4.217 1.00 0.00 C ATOM 155 CD LYS A 13 7.871 8.098 4.622 1.00 0.00 C ATOM 156 CE LYS A 13 8.399 9.444 5.093 1.00 0.00 C ATOM 157 NZ LYS A 13 8.661 10.367 3.954 1.00 0.00 N ATOM 0 H LYS A 13 4.324 5.043 2.311 1.00 0.00 H new ATOM 0 HA LYS A 13 4.169 6.779 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.512 6.071 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.191 7.000 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.262 9.042 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.795 8.350 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.986 7.362 5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.464 7.749 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.678 9.900 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.319 9.295 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.099 11.241 4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.303 9.909 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.764 10.597 3.480 1.00 0.00 H new ATOM 171 N ALA A 14 2.880 8.475 3.464 1.00 0.00 N ATOM 172 CA ALA A 14 2.068 9.462 2.763 1.00 0.00 C ATOM 173 C ALA A 14 2.868 10.730 2.481 1.00 0.00 C ATOM 174 O ALA A 14 3.733 11.119 3.266 1.00 0.00 O ATOM 175 CB ALA A 14 0.823 9.791 3.573 1.00 0.00 C ATOM 0 H ALA A 14 2.798 8.506 4.480 1.00 0.00 H new ATOM 0 HA ALA A 14 1.765 9.035 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.226 10.529 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.235 8.885 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.116 10.195 4.542 1.00 0.00 H new ATOM 224 N ARG A 18 2.604 11.130 7.496 1.00 0.00 N ATOM 225 CA ARG A 18 2.084 9.946 8.168 1.00 0.00 C ATOM 226 C ARG A 18 2.550 8.674 7.467 1.00 0.00 C ATOM 227 O ARG A 18 2.643 8.629 6.241 1.00 0.00 O ATOM 228 CB ARG A 18 0.556 9.987 8.211 1.00 0.00 C ATOM 229 CG ARG A 18 0.000 10.728 9.416 1.00 0.00 C ATOM 230 CD ARG A 18 -1.457 10.371 9.665 1.00 0.00 C ATOM 231 NE ARG A 18 -2.182 11.457 10.321 1.00 0.00 N ATOM 232 CZ ARG A 18 -2.167 11.663 11.633 1.00 0.00 C ATOM 233 NH1 ARG A 18 -1.467 10.862 12.425 1.00 0.00 N ATOM 234 NH2 ARG A 18 -2.852 12.672 12.156 1.00 0.00 N ATOM 0 HA ARG A 18 2.469 9.940 9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.188 10.462 7.302 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.174 8.966 8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.591 10.485 10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.091 11.803 9.258 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.939 10.134 8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.510 9.474 10.283 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.729 12.091 9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.939 10.086 12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.457 11.022 13.432 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.391 13.291 11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.839 12.829 13.164 1.00 0.00 H new ATOM 248 N GLU A 19 2.843 7.643 8.254 1.00 0.00 N ATOM 249 CA GLU A 19 3.300 6.371 7.707 1.00 0.00 C ATOM 250 C GLU A 19 2.971 5.222 8.656 1.00 0.00 C ATOM 251 O GLU A 19 2.525 5.441 9.782 1.00 0.00 O ATOM 252 CB GLU A 19 4.807 6.415 7.446 1.00 0.00 C ATOM 253 CG GLU A 19 5.634 6.685 8.692 1.00 0.00 C ATOM 254 CD GLU A 19 5.471 8.103 9.204 1.00 0.00 C ATOM 255 OE1 GLU A 19 6.160 9.005 8.682 1.00 0.00 O ATOM 256 OE2 GLU A 19 4.655 8.311 10.127 1.00 0.00 O ATOM 0 H GLU A 19 2.772 7.664 9.271 1.00 0.00 H new ATOM 0 HA GLU A 19 2.780 6.202 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.120 5.465 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.017 7.188 6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.344 5.984 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.686 6.500 8.473 1.00 0.00 H new ATOM 263 N CYS A 20 3.195 3.997 8.191 1.00 0.00 N ATOM 264 CA CYS A 20 2.921 2.812 8.997 1.00 0.00 C ATOM 265 C CYS A 20 3.390 1.549 8.282 1.00 0.00 C ATOM 266 O CYS A 20 3.341 1.463 7.056 1.00 0.00 O ATOM 267 CB CYS A 20 1.426 2.713 9.304 1.00 0.00 C ATOM 268 SG CYS A 20 1.042 1.793 10.812 1.00 0.00 S ATOM 0 H CYS A 20 3.565 3.799 7.261 1.00 0.00 H new ATOM 0 HA CYS A 20 3.471 2.904 9.933 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.016 3.719 9.391 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.924 2.236 8.462 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.151 2.109 11.221 1.00 0.00 H new ATOM 274 N SER A 21 3.848 0.572 9.059 1.00 0.00 N ATOM 275 CA SER A 21 4.331 -0.685 8.500 1.00 0.00 C ATOM 276 C SER A 21 3.286 -1.786 8.652 1.00 0.00 C ATOM 277 O SER A 21 2.422 -1.721 9.528 1.00 0.00 O ATOM 278 CB SER A 21 5.633 -1.105 9.185 1.00 0.00 C ATOM 279 OG SER A 21 5.438 -1.298 10.576 1.00 0.00 O ATOM 0 H SER A 21 3.895 0.627 10.076 1.00 0.00 H new ATOM 0 HA SER A 21 4.520 -0.532 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.004 -2.026 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.395 -0.342 9.024 1.00 0.00 H new ATOM 0 HG SER A 21 6.284 -1.568 10.991 1.00 0.00 H new ATOM 285 N LEU A 22 3.370 -2.795 7.793 1.00 0.00 N ATOM 286 CA LEU A 22 2.431 -3.912 7.830 1.00 0.00 C ATOM 287 C LEU A 22 3.064 -5.175 7.255 1.00 0.00 C ATOM 288 O LEU A 22 4.101 -5.115 6.595 1.00 0.00 O ATOM 289 CB LEU A 22 1.162 -3.563 7.051 1.00 0.00 C ATOM 290 CG LEU A 22 0.043 -2.897 7.853 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.825 -2.038 6.947 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.799 -3.946 8.564 1.00 0.00 C ATOM 0 H LEU A 22 4.078 -2.864 7.062 1.00 0.00 H new ATOM 0 HA LEU A 22 2.170 -4.101 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.435 -2.902 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.769 -4.478 6.608 1.00 0.00 H new ATOM 0 HG LEU A 22 0.496 -2.251 8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.616 -1.572 7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.213 -1.264 6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.269 -2.661 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.591 -3.455 9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.242 -4.617 7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.169 -4.519 9.244 1.00 0.00 H new ATOM 304 N GLN A 23 2.431 -6.316 7.508 1.00 0.00 N ATOM 305 CA GLN A 23 2.932 -7.593 7.014 1.00 0.00 C ATOM 306 C GLN A 23 1.997 -8.172 5.958 1.00 0.00 C ATOM 307 O GLN A 23 0.810 -8.377 6.210 1.00 0.00 O ATOM 308 CB GLN A 23 3.093 -8.583 8.168 1.00 0.00 C ATOM 309 CG GLN A 23 4.076 -8.122 9.233 1.00 0.00 C ATOM 310 CD GLN A 23 4.282 -9.154 10.324 1.00 0.00 C ATOM 311 OE1 GLN A 23 3.335 -9.809 10.762 1.00 0.00 O ATOM 312 NE2 GLN A 23 5.524 -9.306 10.768 1.00 0.00 N ATOM 0 H GLN A 23 1.571 -6.382 8.052 1.00 0.00 H new ATOM 0 HA GLN A 23 3.906 -7.420 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.120 -8.750 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.425 -9.542 7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.034 -7.898 8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.715 -7.195 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.278 -8.742 10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.724 -9.987 11.501 1.00 0.00 H new ATOM 321 N VAL A 24 2.540 -8.435 4.773 1.00 0.00 N ATOM 322 CA VAL A 24 1.755 -8.992 3.678 1.00 0.00 C ATOM 323 C VAL A 24 2.623 -9.839 2.755 1.00 0.00 C ATOM 324 O VAL A 24 3.815 -9.586 2.578 1.00 0.00 O ATOM 325 CB VAL A 24 1.076 -7.882 2.853 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.091 -7.282 3.622 1.00 0.00 C ATOM 327 CG2 VAL A 24 2.085 -6.808 2.475 1.00 0.00 C ATOM 0 H VAL A 24 3.521 -8.271 4.547 1.00 0.00 H new ATOM 0 HA VAL A 24 0.987 -9.621 4.127 1.00 0.00 H new ATOM 0 HB VAL A 24 0.686 -8.322 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.558 -6.500 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.823 -8.060 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.271 -6.855 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.589 -6.032 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.506 -6.370 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.884 -7.252 1.881 1.00 0.00 H new ATOM 337 N PRO A 25 2.013 -10.869 2.149 1.00 0.00 N ATOM 338 CA PRO A 25 2.711 -11.774 1.232 1.00 0.00 C ATOM 339 C PRO A 25 3.082 -11.095 -0.082 1.00 0.00 C ATOM 340 O PRO A 25 2.385 -10.191 -0.542 1.00 0.00 O ATOM 341 CB PRO A 25 1.690 -12.888 0.988 1.00 0.00 C ATOM 342 CG PRO A 25 0.367 -12.251 1.235 1.00 0.00 C ATOM 343 CD PRO A 25 0.594 -11.229 2.314 1.00 0.00 C ATOM 0 HA PRO A 25 3.656 -12.126 1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.760 -13.273 -0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.855 -13.730 1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.016 -11.783 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.370 -12.991 1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.057 -10.364 2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.396 -11.639 3.304 1.00 0.00 H new ATOM 351 N GLU A 26 4.184 -11.536 -0.681 1.00 0.00 N ATOM 352 CA GLU A 26 4.646 -10.969 -1.942 1.00 0.00 C ATOM 353 C GLU A 26 3.568 -11.080 -3.017 1.00 0.00 C ATOM 354 O GLU A 26 3.602 -10.369 -4.021 1.00 0.00 O ATOM 355 CB GLU A 26 5.921 -11.676 -2.408 1.00 0.00 C ATOM 356 CG GLU A 26 5.748 -13.173 -2.607 1.00 0.00 C ATOM 357 CD GLU A 26 6.860 -13.783 -3.439 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.467 -13.050 -4.247 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.122 -14.993 -3.281 1.00 0.00 O ATOM 0 H GLU A 26 4.773 -12.283 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 26 4.863 -9.914 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.252 -11.229 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.710 -11.504 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.716 -13.664 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.790 -13.363 -3.092 1.00 0.00 H new ATOM 366 N ASP A 27 2.614 -11.978 -2.798 1.00 0.00 N ATOM 367 CA ASP A 27 1.525 -12.183 -3.746 1.00 0.00 C ATOM 368 C ASP A 27 0.219 -11.608 -3.207 1.00 0.00 C ATOM 369 O ASP A 27 -0.866 -12.060 -3.571 1.00 0.00 O ATOM 370 CB ASP A 27 1.355 -13.673 -4.046 1.00 0.00 C ATOM 371 CG ASP A 27 1.091 -14.489 -2.796 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.407 -13.975 -1.885 1.00 0.00 O ATOM 373 OD2 ASP A 27 1.567 -15.641 -2.728 1.00 0.00 O ATOM 0 H ASP A 27 2.573 -12.576 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 27 1.777 -11.661 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.530 -13.808 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.254 -14.047 -4.537 1.00 0.00 H new ATOM 378 N GLU A 28 0.333 -10.609 -2.336 1.00 0.00 N ATOM 379 CA GLU A 28 -0.840 -9.975 -1.746 1.00 0.00 C ATOM 380 C GLU A 28 -1.533 -9.065 -2.756 1.00 0.00 C ATOM 381 O GLU A 28 -0.883 -8.289 -3.458 1.00 0.00 O ATOM 382 CB GLU A 28 -0.441 -9.169 -0.508 1.00 0.00 C ATOM 383 CG GLU A 28 -1.623 -8.747 0.350 1.00 0.00 C ATOM 384 CD GLU A 28 -2.183 -9.890 1.175 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.113 -11.047 0.710 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.690 -9.626 2.285 1.00 0.00 O ATOM 0 H GLU A 28 1.224 -10.222 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.537 -10.760 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.243 -9.764 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.104 -8.279 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.315 -7.941 1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.409 -8.348 -0.292 1.00 0.00 H new ATOM 393 N LEU A 29 -2.856 -9.168 -2.825 1.00 0.00 N ATOM 394 CA LEU A 29 -3.639 -8.356 -3.750 1.00 0.00 C ATOM 395 C LEU A 29 -3.583 -6.882 -3.362 1.00 0.00 C ATOM 396 O LEU A 29 -3.548 -6.541 -2.179 1.00 0.00 O ATOM 397 CB LEU A 29 -5.092 -8.834 -3.775 1.00 0.00 C ATOM 398 CG LEU A 29 -5.299 -10.347 -3.834 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.775 -10.689 -3.702 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.733 -10.913 -5.129 1.00 0.00 C ATOM 0 H LEU A 29 -3.409 -9.805 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.209 -8.467 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.594 -8.453 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.586 -8.386 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.765 -10.800 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.903 -11.771 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.151 -10.318 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.330 -10.224 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.889 -11.991 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.238 -10.454 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.665 -10.700 -5.183 1.00 0.00 H new ATOM 412 N VAL A 30 -3.577 -6.010 -4.365 1.00 0.00 N ATOM 413 CA VAL A 30 -3.529 -4.572 -4.129 1.00 0.00 C ATOM 414 C VAL A 30 -4.794 -4.088 -3.428 1.00 0.00 C ATOM 415 O VAL A 30 -4.769 -3.102 -2.692 1.00 0.00 O ATOM 416 CB VAL A 30 -3.355 -3.793 -5.446 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.335 -2.295 -5.182 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.086 -4.233 -6.161 1.00 0.00 C ATOM 0 H VAL A 30 -3.605 -6.275 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.667 -4.385 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.205 -4.013 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.211 -1.761 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.273 -1.995 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.506 -2.054 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.979 -3.672 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.224 -4.044 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.145 -5.298 -6.385 1.00 0.00 H new ATOM 428 N SER A 31 -5.899 -4.789 -3.662 1.00 0.00 N ATOM 429 CA SER A 31 -7.175 -4.429 -3.056 1.00 0.00 C ATOM 430 C SER A 31 -7.124 -4.600 -1.541 1.00 0.00 C ATOM 431 O SER A 31 -7.651 -3.776 -0.792 1.00 0.00 O ATOM 432 CB SER A 31 -8.301 -5.285 -3.640 1.00 0.00 C ATOM 433 OG SER A 31 -9.569 -4.720 -3.358 1.00 0.00 O ATOM 0 H SER A 31 -5.936 -5.609 -4.267 1.00 0.00 H new ATOM 0 HA SER A 31 -7.372 -3.381 -3.279 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.171 -5.376 -4.718 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.248 -6.292 -3.227 1.00 0.00 H new ATOM 0 HG SER A 31 -10.272 -5.284 -3.743 1.00 0.00 H new ATOM 439 N THR A 32 -6.485 -5.677 -1.094 1.00 0.00 N ATOM 440 CA THR A 32 -6.365 -5.958 0.331 1.00 0.00 C ATOM 441 C THR A 32 -5.214 -5.174 0.951 1.00 0.00 C ATOM 442 O THR A 32 -5.309 -4.706 2.087 1.00 0.00 O ATOM 443 CB THR A 32 -6.147 -7.461 0.591 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.239 -8.214 0.053 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.016 -7.739 2.080 1.00 0.00 C ATOM 0 H THR A 32 -6.043 -6.369 -1.699 1.00 0.00 H new ATOM 0 HA THR A 32 -7.302 -5.649 0.794 1.00 0.00 H new ATOM 0 HB THR A 32 -5.222 -7.762 0.099 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.092 -9.168 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.863 -8.806 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.165 -7.187 2.480 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.926 -7.423 2.591 1.00 0.00 H new ATOM 453 N LEU A 33 -4.128 -5.034 0.200 1.00 0.00 N ATOM 454 CA LEU A 33 -2.957 -4.305 0.677 1.00 0.00 C ATOM 455 C LEU A 33 -3.335 -2.892 1.110 1.00 0.00 C ATOM 456 O LEU A 33 -2.687 -2.302 1.975 1.00 0.00 O ATOM 457 CB LEU A 33 -1.888 -4.247 -0.416 1.00 0.00 C ATOM 458 CG LEU A 33 -0.971 -5.466 -0.523 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.483 -5.643 -1.952 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.207 -5.332 0.432 1.00 0.00 C ATOM 0 H LEU A 33 -4.033 -5.415 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.556 -4.835 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.385 -4.106 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.269 -3.366 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.541 -6.352 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.168 -6.515 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.338 -5.785 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.071 -4.756 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.849 -6.208 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.777 -4.437 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.161 -5.255 1.455 1.00 0.00 H new ATOM 472 N LYS A 34 -4.388 -2.355 0.505 1.00 0.00 N ATOM 473 CA LYS A 34 -4.856 -1.012 0.829 1.00 0.00 C ATOM 474 C LYS A 34 -5.754 -1.033 2.061 1.00 0.00 C ATOM 475 O LYS A 34 -5.617 -0.197 2.954 1.00 0.00 O ATOM 476 CB LYS A 34 -5.613 -0.413 -0.358 1.00 0.00 C ATOM 477 CG LYS A 34 -4.728 -0.116 -1.556 1.00 0.00 C ATOM 478 CD LYS A 34 -5.529 -0.088 -2.847 1.00 0.00 C ATOM 479 CE LYS A 34 -4.859 0.780 -3.901 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.456 0.577 -5.249 1.00 0.00 N ATOM 0 H LYS A 34 -4.935 -2.829 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.986 -0.393 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.401 -1.102 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.101 0.508 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.232 0.844 -1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.946 -0.872 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.642 -1.103 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.531 0.290 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.949 1.829 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.794 0.550 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.802 0.933 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.627 -0.437 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.357 1.093 -5.311 1.00 0.00 H new ATOM 494 N GLN A 35 -6.672 -1.993 2.103 1.00 0.00 N ATOM 495 CA GLN A 35 -7.593 -2.121 3.227 1.00 0.00 C ATOM 496 C GLN A 35 -6.831 -2.286 4.538 1.00 0.00 C ATOM 497 O GLN A 35 -7.268 -1.810 5.586 1.00 0.00 O ATOM 498 CB GLN A 35 -8.529 -3.312 3.013 1.00 0.00 C ATOM 499 CG GLN A 35 -9.563 -3.085 1.922 1.00 0.00 C ATOM 500 CD GLN A 35 -10.685 -4.103 1.961 1.00 0.00 C ATOM 501 OE1 GLN A 35 -10.444 -5.310 1.971 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.922 -3.620 1.984 1.00 0.00 N ATOM 0 H GLN A 35 -6.798 -2.693 1.372 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.186 -1.208 3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.934 -4.190 2.761 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.043 -3.532 3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.982 -2.084 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.074 -3.126 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.076 -2.612 1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.718 -4.257 2.011 1.00 0.00 H new ATOM 511 N LEU A 36 -5.690 -2.964 4.472 1.00 0.00 N ATOM 512 CA LEU A 36 -4.867 -3.193 5.654 1.00 0.00 C ATOM 513 C LEU A 36 -4.382 -1.873 6.244 1.00 0.00 C ATOM 514 O LEU A 36 -4.350 -1.698 7.462 1.00 0.00 O ATOM 515 CB LEU A 36 -3.671 -4.079 5.303 1.00 0.00 C ATOM 516 CG LEU A 36 -3.974 -5.562 5.086 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.720 -6.305 4.651 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.550 -6.179 6.352 1.00 0.00 C ATOM 0 H LEU A 36 -5.314 -3.364 3.612 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.479 -3.699 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.208 -3.687 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.934 -3.993 6.101 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.716 -5.649 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.955 -7.359 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.350 -5.880 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.955 -6.210 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.760 -7.235 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.831 -6.080 7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.473 -5.665 6.620 1.00 0.00 H new ATOM 530 N VAL A 37 -4.005 -0.944 5.371 1.00 0.00 N ATOM 531 CA VAL A 37 -3.524 0.363 5.804 1.00 0.00 C ATOM 532 C VAL A 37 -4.684 1.277 6.183 1.00 0.00 C ATOM 533 O VAL A 37 -4.544 2.153 7.037 1.00 0.00 O ATOM 534 CB VAL A 37 -2.685 1.044 4.707 1.00 0.00 C ATOM 535 CG1 VAL A 37 -1.991 2.282 5.256 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.672 0.068 4.128 1.00 0.00 C ATOM 0 H VAL A 37 -4.023 -1.072 4.359 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.896 0.196 6.679 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.353 1.357 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.403 2.750 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.739 2.988 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.334 1.997 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.088 0.566 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.006 -0.278 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.195 -0.785 3.695 1.00 0.00 H new ATOM 546 N SER A 38 -5.829 1.068 5.543 1.00 0.00 N ATOM 547 CA SER A 38 -7.013 1.875 5.810 1.00 0.00 C ATOM 548 C SER A 38 -7.329 1.899 7.302 1.00 0.00 C ATOM 549 O SER A 38 -7.535 2.962 7.887 1.00 0.00 O ATOM 550 CB SER A 38 -8.214 1.332 5.032 1.00 0.00 C ATOM 551 OG SER A 38 -9.433 1.711 5.646 1.00 0.00 O ATOM 0 H SER A 38 -5.962 0.346 4.835 1.00 0.00 H new ATOM 0 HA SER A 38 -6.808 2.894 5.483 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.187 1.706 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.154 0.245 4.976 1.00 0.00 H new ATOM 0 HG SER A 38 -9.537 2.684 5.593 1.00 0.00 H new ATOM 557 N GLU A 39 -7.366 0.719 7.912 1.00 0.00 N ATOM 558 CA GLU A 39 -7.657 0.604 9.336 1.00 0.00 C ATOM 559 C GLU A 39 -6.546 1.233 10.172 1.00 0.00 C ATOM 560 O GLU A 39 -6.808 1.920 11.159 1.00 0.00 O ATOM 561 CB GLU A 39 -7.834 -0.865 9.726 1.00 0.00 C ATOM 562 CG GLU A 39 -6.707 -1.763 9.245 1.00 0.00 C ATOM 563 CD GLU A 39 -6.845 -3.189 9.741 1.00 0.00 C ATOM 564 OE1 GLU A 39 -7.531 -3.397 10.763 1.00 0.00 O ATOM 565 OE2 GLU A 39 -6.266 -4.097 9.108 1.00 0.00 O ATOM 0 H GLU A 39 -7.198 -0.171 7.443 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.585 1.140 9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.907 -0.938 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.777 -1.229 9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.687 -1.762 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.754 -1.356 9.582 1.00 0.00 H new ATOM 572 N LYS A 40 -5.303 0.991 9.769 1.00 0.00 N ATOM 573 CA LYS A 40 -4.150 1.533 10.478 1.00 0.00 C ATOM 574 C LYS A 40 -4.232 3.054 10.569 1.00 0.00 C ATOM 575 O LYS A 40 -4.310 3.618 11.661 1.00 0.00 O ATOM 576 CB LYS A 40 -2.854 1.123 9.775 1.00 0.00 C ATOM 577 CG LYS A 40 -2.538 -0.358 9.896 1.00 0.00 C ATOM 578 CD LYS A 40 -1.712 -0.652 11.137 1.00 0.00 C ATOM 579 CE LYS A 40 -1.634 -2.145 11.414 1.00 0.00 C ATOM 580 NZ LYS A 40 -2.961 -2.711 11.784 1.00 0.00 N ATOM 0 H LYS A 40 -5.068 0.423 8.955 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.153 1.126 11.489 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.924 1.386 8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.027 1.698 10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.467 -0.927 9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.996 -0.689 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.706 -0.252 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.150 -0.144 11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.254 -2.659 10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.924 -2.328 12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.827 -3.614 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.462 -2.044 12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.522 -2.871 10.923 1.00 0.00 H new ATOM 594 N LEU A 41 -4.215 3.712 9.415 1.00 0.00 N ATOM 595 CA LEU A 41 -4.290 5.168 9.364 1.00 0.00 C ATOM 596 C LEU A 41 -5.727 5.647 9.541 1.00 0.00 C ATOM 597 O LEU A 41 -5.978 6.838 9.720 1.00 0.00 O ATOM 598 CB LEU A 41 -3.730 5.681 8.036 1.00 0.00 C ATOM 599 CG LEU A 41 -2.224 5.508 7.831 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.850 5.765 6.379 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.449 6.435 8.755 1.00 0.00 C ATOM 0 H LEU A 41 -4.150 3.261 8.503 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.691 5.566 10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.248 5.170 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.969 6.741 7.949 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.960 4.480 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.775 5.637 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.377 5.059 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.129 6.783 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.380 6.298 8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.718 7.470 8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.693 6.203 9.792 1.00 0.00 H new ATOM 613 N ASN A 42 -6.668 4.709 9.492 1.00 0.00 N ATOM 614 CA ASN A 42 -8.081 5.034 9.648 1.00 0.00 C ATOM 615 C ASN A 42 -8.604 5.788 8.429 1.00 0.00 C ATOM 616 O ASN A 42 -9.564 6.552 8.524 1.00 0.00 O ATOM 617 CB ASN A 42 -8.295 5.872 10.911 1.00 0.00 C ATOM 618 CG ASN A 42 -7.565 5.304 12.112 1.00 0.00 C ATOM 619 OD1 ASN A 42 -7.761 4.016 12.370 1.00 0.00 O flip ATOM 620 ND2 ASN A 42 -6.833 6.016 12.801 1.00 0.00 N flip ATOM 0 H ASN A 42 -6.477 3.718 9.345 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.636 4.100 9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.953 6.891 10.730 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.361 5.928 11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.711 7.001 12.566 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.348 5.620 13.607 1.00 0.00 H new ATOM 627 N VAL A 43 -7.965 5.567 7.285 1.00 0.00 N ATOM 628 CA VAL A 43 -8.367 6.223 6.046 1.00 0.00 C ATOM 629 C VAL A 43 -9.047 5.241 5.100 1.00 0.00 C ATOM 630 O VAL A 43 -8.618 4.099 4.936 1.00 0.00 O ATOM 631 CB VAL A 43 -7.159 6.857 5.330 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.600 7.546 4.048 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.446 7.834 6.252 1.00 0.00 C ATOM 0 H VAL A 43 -7.167 4.939 7.190 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.072 7.008 6.317 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.458 6.065 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.734 7.988 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.062 6.816 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.321 8.328 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.595 8.272 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.136 8.624 6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.095 7.307 7.139 1.00 0.00 H new ATOM 643 N PRO A 44 -10.135 5.694 4.459 1.00 0.00 N ATOM 644 CA PRO A 44 -10.899 4.872 3.516 1.00 0.00 C ATOM 645 C PRO A 44 -10.130 4.604 2.226 1.00 0.00 C ATOM 646 O PRO A 44 -9.630 5.529 1.587 1.00 0.00 O ATOM 647 CB PRO A 44 -12.142 5.718 3.232 1.00 0.00 C ATOM 648 CG PRO A 44 -11.712 7.121 3.493 1.00 0.00 C ATOM 649 CD PRO A 44 -10.704 7.045 4.606 1.00 0.00 C ATOM 0 HA PRO A 44 -11.123 3.886 3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.480 5.592 2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.972 5.432 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.274 7.568 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.561 7.743 3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.939 7.816 4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.171 7.180 5.581 1.00 0.00 H new ATOM 657 N VAL A 45 -10.041 3.333 1.849 1.00 0.00 N ATOM 658 CA VAL A 45 -9.335 2.944 0.634 1.00 0.00 C ATOM 659 C VAL A 45 -9.742 3.823 -0.543 1.00 0.00 C ATOM 660 O VAL A 45 -8.948 4.065 -1.453 1.00 0.00 O ATOM 661 CB VAL A 45 -9.603 1.470 0.276 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.698 1.023 -0.862 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.414 0.583 1.498 1.00 0.00 C ATOM 0 H VAL A 45 -10.449 2.555 2.367 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.271 3.075 0.831 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.637 1.377 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.902 -0.021 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.887 1.640 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.656 1.129 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.607 -0.455 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.391 0.679 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.108 0.889 2.281 1.00 0.00 H new ATOM 673 N ARG A 46 -10.982 4.298 -0.519 1.00 0.00 N ATOM 674 CA ARG A 46 -11.495 5.150 -1.585 1.00 0.00 C ATOM 675 C ARG A 46 -10.626 6.393 -1.754 1.00 0.00 C ATOM 676 O ARG A 46 -10.360 6.828 -2.874 1.00 0.00 O ATOM 677 CB ARG A 46 -12.939 5.561 -1.289 1.00 0.00 C ATOM 678 CG ARG A 46 -13.968 4.538 -1.739 1.00 0.00 C ATOM 679 CD ARG A 46 -14.179 4.586 -3.245 1.00 0.00 C ATOM 680 NE ARG A 46 -15.177 5.582 -3.626 1.00 0.00 N ATOM 681 CZ ARG A 46 -15.739 5.636 -4.828 1.00 0.00 C ATOM 682 NH1 ARG A 46 -15.403 4.755 -5.761 1.00 0.00 N ATOM 683 NH2 ARG A 46 -16.639 6.572 -5.100 1.00 0.00 N ATOM 0 H ARG A 46 -11.651 4.107 0.227 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.470 4.581 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.048 5.726 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.145 6.512 -1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.642 3.540 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.914 4.725 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.233 4.814 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.493 3.604 -3.599 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.458 6.274 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.711 4.034 -5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.836 4.799 -6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.900 7.251 -4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.070 6.612 -6.024 1.00 0.00 H new ATOM 697 N GLN A 47 -10.187 6.958 -0.634 1.00 0.00 N ATOM 698 CA GLN A 47 -9.348 8.151 -0.658 1.00 0.00 C ATOM 699 C GLN A 47 -7.882 7.781 -0.853 1.00 0.00 C ATOM 700 O GLN A 47 -7.326 7.960 -1.936 1.00 0.00 O ATOM 701 CB GLN A 47 -9.519 8.946 0.637 1.00 0.00 C ATOM 702 CG GLN A 47 -10.921 9.499 0.831 1.00 0.00 C ATOM 703 CD GLN A 47 -11.019 10.439 2.017 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.658 10.126 3.021 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.383 11.600 1.906 1.00 0.00 N ATOM 0 H GLN A 47 -10.398 6.609 0.301 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.662 8.769 -1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.270 8.305 1.483 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.808 9.772 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.227 10.027 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.618 8.672 0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.865 11.818 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.413 12.273 2.672 1.00 0.00 H new ATOM 714 N GLN A 48 -7.261 7.266 0.203 1.00 0.00 N ATOM 715 CA GLN A 48 -5.858 6.873 0.148 1.00 0.00 C ATOM 716 C GLN A 48 -5.532 6.206 -1.185 1.00 0.00 C ATOM 717 O GLN A 48 -6.361 5.497 -1.754 1.00 0.00 O ATOM 718 CB GLN A 48 -5.527 5.924 1.301 1.00 0.00 C ATOM 719 CG GLN A 48 -6.136 4.540 1.144 1.00 0.00 C ATOM 720 CD GLN A 48 -5.368 3.475 1.901 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.339 2.985 1.434 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.864 3.111 3.078 1.00 0.00 N ATOM 0 H GLN A 48 -7.707 7.111 1.107 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.250 7.773 0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.444 5.828 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.879 6.363 2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.167 4.559 1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.166 4.278 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.720 3.543 3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.389 2.399 3.633 1.00 0.00 H new ATOM 731 N ARG A 49 -4.319 6.440 -1.676 1.00 0.00 N ATOM 732 CA ARG A 49 -3.884 5.864 -2.943 1.00 0.00 C ATOM 733 C ARG A 49 -2.434 5.397 -2.858 1.00 0.00 C ATOM 734 O ARG A 49 -1.553 6.146 -2.434 1.00 0.00 O ATOM 735 CB ARG A 49 -4.038 6.885 -4.072 1.00 0.00 C ATOM 736 CG ARG A 49 -4.317 6.257 -5.427 1.00 0.00 C ATOM 737 CD ARG A 49 -3.072 5.603 -6.005 1.00 0.00 C ATOM 738 NE ARG A 49 -3.244 5.245 -7.411 1.00 0.00 N ATOM 739 CZ ARG A 49 -3.877 4.151 -7.819 1.00 0.00 C ATOM 740 NH1 ARG A 49 -4.395 3.312 -6.932 1.00 0.00 N ATOM 741 NH2 ARG A 49 -3.993 3.894 -9.115 1.00 0.00 N ATOM 0 H ARG A 49 -3.621 7.024 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.514 5.000 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.850 7.569 -3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.128 7.481 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.108 5.513 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.681 7.020 -6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.226 6.283 -5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.832 4.709 -5.430 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.857 5.870 -8.118 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.308 3.506 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.881 2.472 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.596 4.537 -9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.479 3.053 -9.427 1.00 0.00 H new ATOM 755 N LEU A 50 -2.193 4.155 -3.264 1.00 0.00 N ATOM 756 CA LEU A 50 -0.850 3.588 -3.234 1.00 0.00 C ATOM 757 C LEU A 50 -0.084 3.933 -4.506 1.00 0.00 C ATOM 758 O LEU A 50 -0.667 4.035 -5.587 1.00 0.00 O ATOM 759 CB LEU A 50 -0.920 2.069 -3.064 1.00 0.00 C ATOM 760 CG LEU A 50 -1.513 1.568 -1.746 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.537 0.048 -1.716 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.725 2.114 -0.565 1.00 0.00 C ATOM 0 H LEU A 50 -2.910 3.522 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.320 4.019 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.509 1.658 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.088 1.666 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.539 1.929 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.962 -0.291 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.145 -0.323 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.521 -0.334 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.161 1.747 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.311 1.783 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.760 3.203 -0.577 1.00 0.00 H new ATOM 774 N LEU A 51 1.226 4.111 -4.373 1.00 0.00 N ATOM 775 CA LEU A 51 2.074 4.443 -5.513 1.00 0.00 C ATOM 776 C LEU A 51 3.477 3.872 -5.333 1.00 0.00 C ATOM 777 O LEU A 51 4.044 3.924 -4.241 1.00 0.00 O ATOM 778 CB LEU A 51 2.147 5.960 -5.694 1.00 0.00 C ATOM 779 CG LEU A 51 0.916 6.621 -6.316 1.00 0.00 C ATOM 780 CD1 LEU A 51 0.956 8.127 -6.106 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.825 6.290 -7.799 1.00 0.00 C ATOM 0 H LEU A 51 1.724 4.031 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 51 1.633 3.998 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.325 6.414 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.012 6.191 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 51 0.027 6.229 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.072 8.581 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.973 8.345 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.851 8.536 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.057 6.769 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.717 6.654 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.749 5.210 -7.927 1.00 0.00 H new ATOM 793 N PHE A 52 4.032 3.330 -6.411 1.00 0.00 N ATOM 794 CA PHE A 52 5.370 2.751 -6.373 1.00 0.00 C ATOM 795 C PHE A 52 6.291 3.442 -7.374 1.00 0.00 C ATOM 796 O PHE A 52 6.110 3.324 -8.586 1.00 0.00 O ATOM 797 CB PHE A 52 5.309 1.252 -6.670 1.00 0.00 C ATOM 798 CG PHE A 52 6.518 0.497 -6.197 1.00 0.00 C ATOM 799 CD1 PHE A 52 6.746 0.305 -4.843 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.427 -0.022 -7.105 1.00 0.00 C ATOM 801 CE1 PHE A 52 7.858 -0.388 -4.406 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.541 -0.717 -6.673 1.00 0.00 C ATOM 803 CZ PHE A 52 8.756 -0.901 -5.321 1.00 0.00 C ATOM 0 H PHE A 52 3.576 3.279 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 52 5.774 2.900 -5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.421 0.832 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.198 1.107 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.046 0.702 -4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.263 0.118 -8.163 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.025 -0.529 -3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.242 -1.115 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.625 -1.445 -4.980 1.00 0.00 H new ATOM 813 N LYS A 53 7.280 4.165 -6.859 1.00 0.00 N ATOM 814 CA LYS A 53 8.230 4.876 -7.706 1.00 0.00 C ATOM 815 C LYS A 53 7.518 5.558 -8.869 1.00 0.00 C ATOM 816 O LYS A 53 8.014 5.564 -9.995 1.00 0.00 O ATOM 817 CB LYS A 53 9.291 3.910 -8.239 1.00 0.00 C ATOM 818 CG LYS A 53 10.235 3.392 -7.168 1.00 0.00 C ATOM 819 CD LYS A 53 11.264 2.435 -7.747 1.00 0.00 C ATOM 820 CE LYS A 53 10.722 1.017 -7.829 1.00 0.00 C ATOM 821 NZ LYS A 53 11.608 0.130 -8.633 1.00 0.00 N ATOM 0 H LYS A 53 7.444 4.274 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 53 8.715 5.642 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.794 3.064 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.873 4.413 -9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.744 4.231 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.662 2.886 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.557 2.772 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.162 2.447 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.617 0.610 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.726 1.034 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.204 -0.828 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.689 0.504 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.551 0.093 -8.196 1.00 0.00 H new ATOM 835 N GLY A 54 6.353 6.134 -8.589 1.00 0.00 N ATOM 836 CA GLY A 54 5.593 6.812 -9.623 1.00 0.00 C ATOM 837 C GLY A 54 4.790 5.851 -10.477 1.00 0.00 C ATOM 838 O GLY A 54 4.449 6.160 -11.619 1.00 0.00 O ATOM 0 H GLY A 54 5.922 6.143 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.919 7.533 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.275 7.376 -10.260 1.00 0.00 H new ATOM 842 N LYS A 55 4.489 4.681 -9.925 1.00 0.00 N ATOM 843 CA LYS A 55 3.721 3.670 -10.643 1.00 0.00 C ATOM 844 C LYS A 55 2.353 3.468 -10.000 1.00 0.00 C ATOM 845 O LYS A 55 2.253 3.162 -8.813 1.00 0.00 O ATOM 846 CB LYS A 55 4.485 2.345 -10.670 1.00 0.00 C ATOM 847 CG LYS A 55 3.843 1.291 -11.555 1.00 0.00 C ATOM 848 CD LYS A 55 4.841 0.220 -11.962 1.00 0.00 C ATOM 849 CE LYS A 55 5.378 -0.530 -10.752 1.00 0.00 C ATOM 850 NZ LYS A 55 6.319 -1.615 -11.145 1.00 0.00 N ATOM 0 H LYS A 55 4.765 4.409 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 55 3.574 4.018 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.502 2.529 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.560 1.958 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.009 0.830 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.432 1.765 -12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.364 -0.483 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.668 0.679 -12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.886 0.169 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.547 -0.956 -10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.438 -2.276 -10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.936 -2.126 -11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.241 -1.202 -11.393 1.00 0.00 H new ATOM 864 N ALA A 56 1.300 3.639 -10.794 1.00 0.00 N ATOM 865 CA ALA A 56 -0.062 3.471 -10.303 1.00 0.00 C ATOM 866 C ALA A 56 -0.445 1.997 -10.240 1.00 0.00 C ATOM 867 O ALA A 56 -0.366 1.281 -11.239 1.00 0.00 O ATOM 868 CB ALA A 56 -1.038 4.235 -11.185 1.00 0.00 C ATOM 0 H ALA A 56 1.365 3.894 -11.780 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.110 3.875 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.052 4.101 -10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.784 5.295 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.978 3.857 -12.206 1.00 0.00 H new ATOM 874 N LEU A 57 -0.859 1.548 -9.060 1.00 0.00 N ATOM 875 CA LEU A 57 -1.254 0.157 -8.866 1.00 0.00 C ATOM 876 C LEU A 57 -2.734 -0.037 -9.178 1.00 0.00 C ATOM 877 O LEU A 57 -3.551 0.853 -8.940 1.00 0.00 O ATOM 878 CB LEU A 57 -0.962 -0.280 -7.429 1.00 0.00 C ATOM 879 CG LEU A 57 0.335 0.249 -6.816 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.609 -0.426 -5.481 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.501 0.039 -7.771 1.00 0.00 C ATOM 0 H LEU A 57 -0.930 2.127 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.673 -0.460 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.793 0.036 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.936 -1.369 -7.400 1.00 0.00 H new ATOM 0 HG LEU A 57 0.222 1.319 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.536 -0.037 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.214 -0.224 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.702 -1.502 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.416 0.421 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.616 -1.025 -7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.308 0.570 -8.703 1.00 0.00 H new ATOM 893 N ALA A 58 -3.073 -1.207 -9.710 1.00 0.00 N ATOM 894 CA ALA A 58 -4.455 -1.520 -10.051 1.00 0.00 C ATOM 895 C ALA A 58 -5.045 -2.532 -9.075 1.00 0.00 C ATOM 896 O ALA A 58 -4.553 -3.655 -8.958 1.00 0.00 O ATOM 897 CB ALA A 58 -4.541 -2.045 -11.476 1.00 0.00 C ATOM 0 H ALA A 58 -2.409 -1.954 -9.914 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.038 -0.602 -9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.579 -2.275 -11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.167 -1.288 -12.166 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.939 -2.949 -11.568 1.00 0.00 H new ATOM 903 N ASP A 59 -6.100 -2.128 -8.377 1.00 0.00 N ATOM 904 CA ASP A 59 -6.758 -3.001 -7.412 1.00 0.00 C ATOM 905 C ASP A 59 -6.958 -4.399 -7.990 1.00 0.00 C ATOM 906 O ASP A 59 -7.450 -4.554 -9.107 1.00 0.00 O ATOM 907 CB ASP A 59 -8.106 -2.411 -6.994 1.00 0.00 C ATOM 908 CG ASP A 59 -9.076 -2.303 -8.154 1.00 0.00 C ATOM 909 OD1 ASP A 59 -8.711 -1.686 -9.177 1.00 0.00 O ATOM 910 OD2 ASP A 59 -10.198 -2.837 -8.040 1.00 0.00 O ATOM 0 H ASP A 59 -6.518 -1.201 -8.461 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.116 -3.079 -6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.545 -3.033 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.948 -1.422 -6.563 1.00 0.00 H new ATOM 915 N GLY A 60 -6.572 -5.413 -7.222 1.00 0.00 N ATOM 916 CA GLY A 60 -6.716 -6.784 -7.676 1.00 0.00 C ATOM 917 C GLY A 60 -5.383 -7.433 -7.991 1.00 0.00 C ATOM 918 O GLY A 60 -5.140 -8.582 -7.622 1.00 0.00 O ATOM 0 H GLY A 60 -6.162 -5.310 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.228 -7.366 -6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.346 -6.805 -8.565 1.00 0.00 H new ATOM 922 N LYS A 61 -4.516 -6.697 -8.679 1.00 0.00 N ATOM 923 CA LYS A 61 -3.200 -7.206 -9.045 1.00 0.00 C ATOM 924 C LYS A 61 -2.346 -7.449 -7.805 1.00 0.00 C ATOM 925 O LYS A 61 -2.651 -6.948 -6.723 1.00 0.00 O ATOM 926 CB LYS A 61 -2.493 -6.224 -9.982 1.00 0.00 C ATOM 927 CG LYS A 61 -3.137 -6.120 -11.353 1.00 0.00 C ATOM 928 CD LYS A 61 -2.189 -5.505 -12.369 1.00 0.00 C ATOM 929 CE LYS A 61 -2.793 -5.503 -13.765 1.00 0.00 C ATOM 930 NZ LYS A 61 -2.217 -4.426 -14.617 1.00 0.00 N ATOM 0 H LYS A 61 -4.702 -5.745 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.336 -8.156 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.482 -5.237 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.454 -6.532 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.440 -7.111 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.042 -5.516 -11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.950 -4.483 -12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.252 -6.062 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.621 -6.470 -14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.873 -5.371 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.654 -4.458 -15.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.403 -3.501 -14.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.190 -4.566 -14.707 1.00 0.00 H new ATOM 944 N ARG A 62 -1.274 -8.217 -7.971 1.00 0.00 N ATOM 945 CA ARG A 62 -0.376 -8.525 -6.865 1.00 0.00 C ATOM 946 C ARG A 62 0.913 -7.715 -6.971 1.00 0.00 C ATOM 947 O ARG A 62 1.439 -7.505 -8.065 1.00 0.00 O ATOM 948 CB ARG A 62 -0.051 -10.020 -6.844 1.00 0.00 C ATOM 949 CG ARG A 62 -1.281 -10.908 -6.747 1.00 0.00 C ATOM 950 CD ARG A 62 -0.970 -12.336 -7.168 1.00 0.00 C ATOM 951 NE ARG A 62 -2.054 -13.255 -6.828 1.00 0.00 N ATOM 952 CZ ARG A 62 -3.127 -13.438 -7.589 1.00 0.00 C ATOM 953 NH1 ARG A 62 -3.259 -12.770 -8.727 1.00 0.00 N ATOM 954 NH2 ARG A 62 -4.071 -14.292 -7.213 1.00 0.00 N ATOM 0 H ARG A 62 -1.006 -8.637 -8.861 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.879 -8.257 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.502 -10.276 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.605 -10.229 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.656 -10.902 -5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.073 -10.505 -7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.792 -12.367 -8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.051 -12.665 -6.684 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.983 -13.785 -5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.535 -12.114 -9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.084 -12.913 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.973 -14.808 -6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.895 -14.432 -7.798 1.00 0.00 H new ATOM 968 N LEU A 63 1.417 -7.263 -5.828 1.00 0.00 N ATOM 969 CA LEU A 63 2.644 -6.475 -5.791 1.00 0.00 C ATOM 970 C LEU A 63 3.784 -7.211 -6.487 1.00 0.00 C ATOM 971 O LEU A 63 4.660 -6.591 -7.091 1.00 0.00 O ATOM 972 CB LEU A 63 3.031 -6.165 -4.344 1.00 0.00 C ATOM 973 CG LEU A 63 2.165 -5.131 -3.624 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.497 -5.095 -2.141 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.350 -3.755 -4.247 1.00 0.00 C ATOM 0 H LEU A 63 0.995 -7.429 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 63 2.462 -5.540 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.002 -7.094 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.064 -5.816 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 63 1.120 -5.421 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.870 -4.353 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.313 -6.076 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.546 -4.830 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.726 -3.031 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.396 -3.458 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.061 -3.789 -5.297 1.00 0.00 H new ATOM 987 N SER A 64 3.766 -8.538 -6.401 1.00 0.00 N ATOM 988 CA SER A 64 4.799 -9.358 -7.022 1.00 0.00 C ATOM 989 C SER A 64 4.840 -9.131 -8.530 1.00 0.00 C ATOM 990 O SER A 64 5.890 -9.263 -9.160 1.00 0.00 O ATOM 991 CB SER A 64 4.551 -10.838 -6.725 1.00 0.00 C ATOM 992 OG SER A 64 5.301 -11.666 -7.597 1.00 0.00 O ATOM 0 H SER A 64 3.047 -9.067 -5.907 1.00 0.00 H new ATOM 0 HA SER A 64 5.761 -9.066 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.820 -11.055 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.489 -11.060 -6.831 1.00 0.00 H new ATOM 0 HG SER A 64 5.126 -12.607 -7.386 1.00 0.00 H new ATOM 998 N ASP A 65 3.691 -8.788 -9.102 1.00 0.00 N ATOM 999 CA ASP A 65 3.595 -8.540 -10.536 1.00 0.00 C ATOM 1000 C ASP A 65 4.280 -7.229 -10.908 1.00 0.00 C ATOM 1001 O ASP A 65 4.879 -7.112 -11.978 1.00 0.00 O ATOM 1002 CB ASP A 65 2.129 -8.506 -10.972 1.00 0.00 C ATOM 1003 CG ASP A 65 1.959 -8.773 -12.454 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.815 -8.318 -13.241 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.970 -9.437 -12.828 1.00 0.00 O ATOM 0 H ASP A 65 2.813 -8.675 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 65 4.102 -9.353 -11.055 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.567 -9.249 -10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.704 -7.532 -10.730 1.00 0.00 H new ATOM 1010 N TYR A 66 4.187 -6.246 -10.020 1.00 0.00 N ATOM 1011 CA TYR A 66 4.795 -4.942 -10.257 1.00 0.00 C ATOM 1012 C TYR A 66 6.279 -4.961 -9.904 1.00 0.00 C ATOM 1013 O TYR A 66 6.935 -3.919 -9.875 1.00 0.00 O ATOM 1014 CB TYR A 66 4.078 -3.866 -9.441 1.00 0.00 C ATOM 1015 CG TYR A 66 2.718 -3.496 -9.988 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.595 -2.732 -11.141 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.555 -3.913 -9.352 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.354 -2.391 -11.644 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.310 -3.578 -9.848 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.215 -2.817 -10.994 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.023 -2.481 -11.493 1.00 0.00 O ATOM 0 H TYR A 66 3.696 -6.327 -9.129 1.00 0.00 H new ATOM 0 HA TYR A 66 4.696 -4.710 -11.317 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.965 -4.216 -8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.702 -2.973 -9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.485 -2.398 -11.654 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.626 -4.509 -8.454 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.277 -1.794 -12.541 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.584 -3.910 -9.341 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.969 -2.389 -12.467 1.00 0.00 H new ATOM 1031 N SER A 67 6.802 -6.153 -9.636 1.00 0.00 N ATOM 1032 CA SER A 67 8.208 -6.309 -9.281 1.00 0.00 C ATOM 1033 C SER A 67 8.498 -5.678 -7.922 1.00 0.00 C ATOM 1034 O SER A 67 9.574 -5.124 -7.700 1.00 0.00 O ATOM 1035 CB SER A 67 9.099 -5.675 -10.350 1.00 0.00 C ATOM 1036 OG SER A 67 10.403 -6.228 -10.321 1.00 0.00 O ATOM 0 H SER A 67 6.273 -7.025 -9.658 1.00 0.00 H new ATOM 0 HA SER A 67 8.426 -7.375 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.657 -5.829 -11.334 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.154 -4.598 -10.190 1.00 0.00 H new ATOM 0 HG SER A 67 10.779 -6.132 -9.421 1.00 0.00 H new ATOM 1042 N ILE A 68 7.530 -5.768 -7.016 1.00 0.00 N ATOM 1043 CA ILE A 68 7.681 -5.209 -5.679 1.00 0.00 C ATOM 1044 C ILE A 68 7.937 -6.304 -4.650 1.00 0.00 C ATOM 1045 O ILE A 68 7.008 -6.954 -4.175 1.00 0.00 O ATOM 1046 CB ILE A 68 6.433 -4.408 -5.260 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.295 -3.150 -6.120 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.510 -4.042 -3.785 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.944 -2.480 -5.997 1.00 0.00 C ATOM 0 H ILE A 68 6.633 -6.223 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 68 8.540 -4.538 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 68 5.551 -5.030 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.071 -2.439 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.468 -3.412 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.622 -3.476 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.566 -4.952 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.398 -3.435 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.917 -1.596 -6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.164 -3.175 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.776 -2.186 -4.961 1.00 0.00 H new ATOM 1061 N GLY A 69 9.207 -6.503 -4.309 1.00 0.00 N ATOM 1062 CA GLY A 69 9.564 -7.519 -3.337 1.00 0.00 C ATOM 1063 C GLY A 69 9.544 -6.994 -1.915 1.00 0.00 C ATOM 1064 O GLY A 69 8.895 -5.993 -1.609 1.00 0.00 O ATOM 0 H GLY A 69 9.995 -5.978 -4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.872 -8.357 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.558 -7.902 -3.565 1.00 0.00 H new ATOM 1068 N PRO A 70 10.266 -7.680 -1.016 1.00 0.00 N ATOM 1069 CA PRO A 70 10.343 -7.296 0.396 1.00 0.00 C ATOM 1070 C PRO A 70 11.129 -6.006 0.604 1.00 0.00 C ATOM 1071 O PRO A 70 11.844 -5.554 -0.288 1.00 0.00 O ATOM 1072 CB PRO A 70 11.071 -8.476 1.045 1.00 0.00 C ATOM 1073 CG PRO A 70 11.870 -9.081 -0.057 1.00 0.00 C ATOM 1074 CD PRO A 70 11.063 -8.883 -1.311 1.00 0.00 C ATOM 0 HA PRO A 70 9.358 -7.100 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.711 -8.145 1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.366 -9.194 1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.845 -8.601 -0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.050 -10.140 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.702 -8.738 -2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.429 -9.744 -1.521 1.00 0.00 H new ATOM 1082 N ASN A 71 10.990 -5.418 1.788 1.00 0.00 N ATOM 1083 CA ASN A 71 11.687 -4.179 2.113 1.00 0.00 C ATOM 1084 C ASN A 71 11.345 -3.083 1.108 1.00 0.00 C ATOM 1085 O ASN A 71 12.208 -2.300 0.710 1.00 0.00 O ATOM 1086 CB ASN A 71 13.199 -4.411 2.136 1.00 0.00 C ATOM 1087 CG ASN A 71 13.572 -5.725 2.797 1.00 0.00 C ATOM 1088 OD1 ASN A 71 13.905 -6.699 2.122 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.517 -5.757 4.123 1.00 0.00 N ATOM 0 H ASN A 71 10.401 -5.780 2.538 1.00 0.00 H new ATOM 0 HA ASN A 71 11.360 -3.856 3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.581 -4.399 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.682 -3.590 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.756 -6.613 4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.235 -4.925 4.642 1.00 0.00 H new ATOM 1096 N SER A 72 10.081 -3.034 0.701 1.00 0.00 N ATOM 1097 CA SER A 72 9.625 -2.036 -0.260 1.00 0.00 C ATOM 1098 C SER A 72 8.800 -0.954 0.431 1.00 0.00 C ATOM 1099 O SER A 72 7.961 -1.246 1.283 1.00 0.00 O ATOM 1100 CB SER A 72 8.797 -2.700 -1.362 1.00 0.00 C ATOM 1101 OG SER A 72 9.632 -3.327 -2.319 1.00 0.00 O ATOM 0 H SER A 72 9.354 -3.674 1.022 1.00 0.00 H new ATOM 0 HA SER A 72 10.503 -1.569 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.125 -3.437 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.173 -1.953 -1.853 1.00 0.00 H new ATOM 0 HG SER A 72 9.536 -4.300 -2.250 1.00 0.00 H new ATOM 1107 N LYS A 73 9.044 0.297 0.056 1.00 0.00 N ATOM 1108 CA LYS A 73 8.325 1.424 0.636 1.00 0.00 C ATOM 1109 C LYS A 73 7.298 1.978 -0.346 1.00 0.00 C ATOM 1110 O LYS A 73 7.653 2.492 -1.408 1.00 0.00 O ATOM 1111 CB LYS A 73 9.305 2.528 1.041 1.00 0.00 C ATOM 1112 CG LYS A 73 10.146 2.178 2.256 1.00 0.00 C ATOM 1113 CD LYS A 73 11.456 2.949 2.269 1.00 0.00 C ATOM 1114 CE LYS A 73 11.312 4.281 2.989 1.00 0.00 C ATOM 1115 NZ LYS A 73 12.633 4.842 3.387 1.00 0.00 N ATOM 0 H LYS A 73 9.735 0.556 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 73 7.800 1.069 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.966 2.742 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.746 3.441 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.584 2.398 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.353 1.108 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.226 2.352 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.788 3.122 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.797 4.990 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.691 4.150 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.492 5.750 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.114 4.177 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.216 4.992 2.539 1.00 0.00 H new ATOM 1129 N LEU A 74 6.024 1.871 0.014 1.00 0.00 N ATOM 1130 CA LEU A 74 4.944 2.362 -0.835 1.00 0.00 C ATOM 1131 C LEU A 74 4.619 3.818 -0.515 1.00 0.00 C ATOM 1132 O LEU A 74 4.845 4.283 0.601 1.00 0.00 O ATOM 1133 CB LEU A 74 3.695 1.497 -0.658 1.00 0.00 C ATOM 1134 CG LEU A 74 3.593 0.271 -1.566 1.00 0.00 C ATOM 1135 CD1 LEU A 74 2.814 -0.839 -0.879 1.00 0.00 C ATOM 1136 CD2 LEU A 74 2.942 0.642 -2.891 1.00 0.00 C ATOM 0 H LEU A 74 5.713 1.448 0.889 1.00 0.00 H new ATOM 0 HA LEU A 74 5.275 2.302 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.654 1.161 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.818 2.122 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 74 4.600 -0.093 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.752 -1.703 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.322 -1.123 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.809 -0.488 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.877 -0.242 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.940 1.031 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.541 1.403 -3.390 1.00 0.00 H new ATOM 1148 N ASN A 75 4.084 4.530 -1.501 1.00 0.00 N ATOM 1149 CA ASN A 75 3.725 5.932 -1.323 1.00 0.00 C ATOM 1150 C ASN A 75 2.210 6.104 -1.268 1.00 0.00 C ATOM 1151 O ASN A 75 1.494 5.695 -2.183 1.00 0.00 O ATOM 1152 CB ASN A 75 4.303 6.776 -2.461 1.00 0.00 C ATOM 1153 CG ASN A 75 5.704 7.272 -2.159 1.00 0.00 C ATOM 1154 OD1 ASN A 75 5.919 8.465 -1.943 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.665 6.356 -2.142 1.00 0.00 N ATOM 0 H ASN A 75 3.890 4.159 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 75 4.146 6.271 -0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.319 6.184 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.650 7.629 -2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.627 6.630 -1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.441 5.378 -2.327 1.00 0.00 H new ATOM 1162 N LEU A 76 1.728 6.711 -0.189 1.00 0.00 N ATOM 1163 CA LEU A 76 0.298 6.938 -0.013 1.00 0.00 C ATOM 1164 C LEU A 76 -0.073 8.374 -0.366 1.00 0.00 C ATOM 1165 O LEU A 76 0.675 9.309 -0.078 1.00 0.00 O ATOM 1166 CB LEU A 76 -0.113 6.632 1.428 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.613 6.463 1.677 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -2.078 5.089 1.222 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.937 6.678 3.148 1.00 0.00 C ATOM 0 H LEU A 76 2.307 7.055 0.577 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.237 6.269 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.392 5.719 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.253 7.435 2.067 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.145 7.215 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.147 4.987 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.881 4.973 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.539 4.321 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.008 6.554 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.394 5.950 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.641 7.685 3.442 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.234 8.544 -0.990 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.707 9.867 -1.379 1.00 0.00 C ATOM 1183 C VAL A 77 -3.140 10.099 -0.911 1.00 0.00 C ATOM 1184 O VAL A 77 -3.964 9.185 -0.927 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.639 10.061 -2.905 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.841 11.525 -3.268 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.315 9.546 -3.449 1.00 0.00 C ATOM 0 H VAL A 77 -1.865 7.781 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.050 10.592 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.443 9.484 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.790 11.642 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.817 11.857 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.061 12.127 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.284 9.691 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.506 10.093 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.217 8.484 -3.223 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.429 11.328 -0.496 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.763 11.681 -0.025 1.00 0.00 C ATOM 1199 C VAL A 78 -5.626 12.211 -1.164 1.00 0.00 C ATOM 1200 O VAL A 78 -5.333 13.257 -1.745 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.702 12.739 1.093 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -6.103 13.108 1.556 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -3.863 12.235 2.257 1.00 0.00 C ATOM 0 H VAL A 78 -2.758 12.096 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.210 10.769 0.371 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.229 13.637 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.040 13.856 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.669 13.513 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.606 12.219 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.830 12.995 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.306 11.323 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.850 12.026 1.912 1.00 0.00 H new