USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 528 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 15 ASN : amide:sc= -0.739 K(o=-1.3,f=1.8) USER MOD Set 1.2: A 25 GLN : amide:sc= 0.0621 K(o=-1.3,f=1.7) USER MOD Set 1.3: A 43 CYS SG : rot -20:sc= -0.582 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0.517 K(o=0.52,f=-0.81) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -91:sc= 1.16 USER MOD Single : A 13 ASN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 77:sc= 1.22 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -4:sc= 1.23 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 153:sc= -0.289 (180deg=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.136 (180deg=-0.507) USER MOD Single : A 55 GLN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0128 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 10.850 8.590 5.899 1.00 0.00 N ATOM 71 CA LYS A 5 9.870 7.807 6.633 1.00 0.00 C ATOM 72 C LYS A 5 8.796 7.262 5.696 1.00 0.00 C ATOM 73 O LYS A 5 8.391 6.107 5.805 1.00 0.00 O ATOM 74 CB LYS A 5 9.228 8.672 7.719 1.00 0.00 C ATOM 75 CG LYS A 5 8.230 7.932 8.597 1.00 0.00 C ATOM 76 CD LYS A 5 7.588 8.869 9.608 1.00 0.00 C ATOM 77 CE LYS A 5 8.627 9.489 10.528 1.00 0.00 C ATOM 78 NZ LYS A 5 8.027 10.494 11.440 1.00 0.00 N ATOM 0 HA LYS A 5 10.378 6.961 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.014 9.085 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.724 9.515 7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.458 7.481 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.734 7.119 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.048 9.657 9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.856 8.321 10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.106 8.706 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.407 9.961 9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.767 10.894 12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.592 11.255 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.301 10.039 12.029 1.00 0.00 H new ATOM 92 N GLN A 6 8.350 8.095 4.761 1.00 0.00 N ATOM 93 CA GLN A 6 7.252 7.731 3.869 1.00 0.00 C ATOM 94 C GLN A 6 7.633 6.553 2.975 1.00 0.00 C ATOM 95 O GLN A 6 6.789 5.727 2.630 1.00 0.00 O ATOM 96 CB GLN A 6 6.832 8.933 3.019 1.00 0.00 C ATOM 97 CG GLN A 6 5.621 8.665 2.131 1.00 0.00 C ATOM 98 CD GLN A 6 4.402 8.219 2.919 1.00 0.00 C ATOM 99 OE1 GLN A 6 4.208 8.616 4.069 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.574 7.389 2.306 1.00 0.00 N ATOM 0 H GLN A 6 8.731 9.027 4.600 1.00 0.00 H new ATOM 0 HA GLN A 6 6.407 7.425 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.609 9.772 3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.671 9.234 2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.377 9.570 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.875 7.899 1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.771 7.084 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.739 7.054 2.787 1.00 0.00 H new ATOM 109 N LYS A 7 8.905 6.473 2.609 1.00 0.00 N ATOM 110 CA LYS A 7 9.392 5.364 1.801 1.00 0.00 C ATOM 111 C LYS A 7 9.324 4.055 2.583 1.00 0.00 C ATOM 112 O LYS A 7 9.088 2.988 2.014 1.00 0.00 O ATOM 113 CB LYS A 7 10.814 5.651 1.322 1.00 0.00 C ATOM 114 CG LYS A 7 10.857 6.555 0.099 1.00 0.00 C ATOM 115 CD LYS A 7 12.164 7.333 -0.007 1.00 0.00 C ATOM 116 CE LYS A 7 13.386 6.430 -0.034 1.00 0.00 C ATOM 117 NZ LYS A 7 14.644 7.220 -0.086 1.00 0.00 N ATOM 0 H LYS A 7 9.616 7.161 2.858 1.00 0.00 H new ATOM 0 HA LYS A 7 8.751 5.257 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.377 6.116 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.310 4.709 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.723 5.952 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.023 7.256 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.147 7.941 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.243 8.019 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.390 5.795 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.333 5.770 -0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.459 6.574 -0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.650 7.808 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.705 7.832 0.753 1.00 0.00 H new ATOM 131 N ALA A 8 9.515 4.144 3.892 1.00 0.00 N ATOM 132 CA ALA A 8 9.368 2.990 4.766 1.00 0.00 C ATOM 133 C ALA A 8 7.890 2.669 4.980 1.00 0.00 C ATOM 134 O ALA A 8 7.501 1.507 5.047 1.00 0.00 O ATOM 135 CB ALA A 8 10.064 3.237 6.094 1.00 0.00 C ATOM 0 H ALA A 8 9.773 5.006 4.372 1.00 0.00 H new ATOM 0 HA ALA A 8 9.839 2.130 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.944 2.364 6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.125 3.417 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.623 4.107 6.580 1.00 0.00 H new ATOM 141 N ILE A 9 7.075 3.713 5.080 1.00 0.00 N ATOM 142 CA ILE A 9 5.632 3.557 5.247 1.00 0.00 C ATOM 143 C ILE A 9 5.012 2.863 4.034 1.00 0.00 C ATOM 144 O ILE A 9 4.248 1.906 4.178 1.00 0.00 O ATOM 145 CB ILE A 9 4.944 4.923 5.471 1.00 0.00 C ATOM 146 CG1 ILE A 9 5.389 5.526 6.808 1.00 0.00 C ATOM 147 CG2 ILE A 9 3.430 4.781 5.426 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.802 6.895 7.089 1.00 0.00 C ATOM 0 H ILE A 9 7.390 4.683 5.048 1.00 0.00 H new ATOM 0 HA ILE A 9 5.473 2.937 6.129 1.00 0.00 H new ATOM 0 HB ILE A 9 5.243 5.595 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 9 5.107 4.848 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.477 5.598 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.968 5.755 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.130 4.393 4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.106 4.093 6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.163 7.255 8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.106 7.589 6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.714 6.827 7.112 1.00 0.00 H new ATOM 160 N PHE A 10 5.352 3.349 2.844 1.00 0.00 N ATOM 161 CA PHE A 10 4.836 2.779 1.605 1.00 0.00 C ATOM 162 C PHE A 10 5.225 1.311 1.480 1.00 0.00 C ATOM 163 O PHE A 10 4.371 0.451 1.257 1.00 0.00 O ATOM 164 CB PHE A 10 5.356 3.567 0.398 1.00 0.00 C ATOM 165 CG PHE A 10 4.938 2.989 -0.926 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.655 3.180 -1.408 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.831 2.249 -1.687 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.268 2.645 -2.623 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.451 1.712 -2.901 1.00 0.00 C ATOM 170 CZ PHE A 10 4.167 1.910 -3.371 1.00 0.00 C ATOM 0 H PHE A 10 5.984 4.138 2.712 1.00 0.00 H new ATOM 0 HA PHE A 10 3.748 2.846 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.999 4.595 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.445 3.604 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.947 3.754 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.836 2.091 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.263 2.802 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.157 1.138 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.867 1.491 -4.320 1.00 0.00 H new ATOM 180 N SER A 11 6.514 1.027 1.640 1.00 0.00 N ATOM 181 CA SER A 11 7.017 -0.333 1.510 1.00 0.00 C ATOM 182 C SER A 11 6.395 -1.244 2.564 1.00 0.00 C ATOM 183 O SER A 11 6.081 -2.396 2.280 1.00 0.00 O ATOM 184 CB SER A 11 8.545 -0.347 1.614 1.00 0.00 C ATOM 185 OG SER A 11 8.989 0.376 2.751 1.00 0.00 O ATOM 0 H SER A 11 7.228 1.722 1.860 1.00 0.00 H new ATOM 0 HA SER A 11 6.734 -0.713 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.899 -1.376 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.977 0.087 0.712 1.00 0.00 H new ATOM 0 HG SER A 11 9.149 1.310 2.502 1.00 0.00 H new ATOM 191 N GLU A 12 6.196 -0.710 3.767 1.00 0.00 N ATOM 192 CA GLU A 12 5.608 -1.473 4.864 1.00 0.00 C ATOM 193 C GLU A 12 4.212 -1.961 4.486 1.00 0.00 C ATOM 194 O GLU A 12 3.912 -3.153 4.570 1.00 0.00 O ATOM 195 CB GLU A 12 5.520 -0.609 6.125 1.00 0.00 C ATOM 196 CG GLU A 12 5.285 -1.407 7.397 1.00 0.00 C ATOM 197 CD GLU A 12 6.520 -2.168 7.827 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.745 -3.284 7.315 1.00 0.00 O ATOM 199 OE2 GLU A 12 7.276 -1.636 8.668 1.00 0.00 O ATOM 0 H GLU A 12 6.435 0.252 4.007 1.00 0.00 H new ATOM 0 HA GLU A 12 6.247 -2.334 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.443 -0.039 6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.712 0.113 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.979 -0.732 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.465 -2.107 7.239 1.00 0.00 H new ATOM 206 N ASN A 13 3.369 -1.029 4.051 1.00 0.00 N ATOM 207 CA ASN A 13 1.986 -1.343 3.704 1.00 0.00 C ATOM 208 C ASN A 13 1.921 -2.225 2.465 1.00 0.00 C ATOM 209 O ASN A 13 1.169 -3.197 2.431 1.00 0.00 O ATOM 210 CB ASN A 13 1.165 -0.059 3.501 1.00 0.00 C ATOM 211 CG ASN A 13 0.764 0.573 4.823 1.00 0.00 C ATOM 212 OD1 ASN A 13 -0.289 0.260 5.381 1.00 0.00 O ATOM 213 ND2 ASN A 13 1.598 1.465 5.332 1.00 0.00 N ATOM 0 H ASN A 13 3.620 -0.048 3.930 1.00 0.00 H new ATOM 0 HA ASN A 13 1.551 -1.896 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.747 0.656 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.270 -0.288 2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.379 1.921 6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.460 1.697 4.839 1.00 0.00 H new ATOM 220 N LEU A 14 2.731 -1.902 1.462 1.00 0.00 N ATOM 221 CA LEU A 14 2.783 -2.694 0.237 1.00 0.00 C ATOM 222 C LEU A 14 3.239 -4.119 0.544 1.00 0.00 C ATOM 223 O LEU A 14 2.651 -5.090 0.063 1.00 0.00 O ATOM 224 CB LEU A 14 3.734 -2.048 -0.777 1.00 0.00 C ATOM 225 CG LEU A 14 3.856 -2.774 -2.120 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.524 -2.769 -2.855 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.939 -2.131 -2.972 1.00 0.00 C ATOM 0 H LEU A 14 3.360 -1.099 1.473 1.00 0.00 H new ATOM 0 HA LEU A 14 1.782 -2.729 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.399 -1.028 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.725 -1.981 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 14 4.136 -3.810 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.632 -3.289 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.772 -3.273 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.213 -1.740 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.014 -2.658 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.686 -1.087 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.894 -2.187 -2.450 1.00 0.00 H new ATOM 239 N ASN A 15 4.279 -4.233 1.364 1.00 0.00 N ATOM 240 CA ASN A 15 4.848 -5.527 1.720 1.00 0.00 C ATOM 241 C ASN A 15 3.853 -6.343 2.533 1.00 0.00 C ATOM 242 O ASN A 15 3.798 -7.561 2.408 1.00 0.00 O ATOM 243 CB ASN A 15 6.142 -5.343 2.518 1.00 0.00 C ATOM 244 CG ASN A 15 6.963 -6.613 2.618 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.799 -7.413 3.539 1.00 0.00 O ATOM 246 ND2 ASN A 15 7.868 -6.795 1.671 1.00 0.00 N ATOM 0 H ASN A 15 4.748 -3.437 1.797 1.00 0.00 H new ATOM 0 HA ASN A 15 5.074 -6.063 0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.744 -4.564 2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.897 -4.996 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.463 -7.624 1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.971 -6.107 0.925 1.00 0.00 H new ATOM 253 N SER A 16 3.058 -5.659 3.351 1.00 0.00 N ATOM 254 CA SER A 16 2.073 -6.317 4.206 1.00 0.00 C ATOM 255 C SER A 16 1.149 -7.226 3.389 1.00 0.00 C ATOM 256 O SER A 16 0.891 -8.371 3.775 1.00 0.00 O ATOM 257 CB SER A 16 1.252 -5.268 4.965 1.00 0.00 C ATOM 258 OG SER A 16 0.305 -5.876 5.828 1.00 0.00 O ATOM 0 H SER A 16 3.077 -4.643 3.440 1.00 0.00 H new ATOM 0 HA SER A 16 2.607 -6.940 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.920 -4.632 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.736 -4.623 4.253 1.00 0.00 H new ATOM 0 HG SER A 16 -0.202 -5.182 6.299 1.00 0.00 H new ATOM 264 N TYR A 17 0.670 -6.724 2.254 1.00 0.00 N ATOM 265 CA TYR A 17 -0.207 -7.507 1.388 1.00 0.00 C ATOM 266 C TYR A 17 0.563 -8.646 0.738 1.00 0.00 C ATOM 267 O TYR A 17 0.135 -9.800 0.771 1.00 0.00 O ATOM 268 CB TYR A 17 -0.824 -6.629 0.293 1.00 0.00 C ATOM 269 CG TYR A 17 -1.658 -5.478 0.804 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.930 -5.689 1.324 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.177 -4.175 0.760 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.696 -4.634 1.783 1.00 0.00 C ATOM 273 CE2 TYR A 17 -1.938 -3.116 1.215 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.194 -3.351 1.727 1.00 0.00 C ATOM 275 OH TYR A 17 -3.954 -2.298 2.178 1.00 0.00 O ATOM 0 H TYR A 17 0.873 -5.784 1.914 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.005 -7.915 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.023 -6.231 -0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.446 -7.254 -0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.326 -6.693 1.370 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.190 -3.987 0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.683 -4.814 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.550 -2.109 1.169 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.453 -1.463 2.069 1.00 0.00 H new ATOM 285 N ILE A 18 1.709 -8.307 0.165 1.00 0.00 N ATOM 286 CA ILE A 18 2.513 -9.261 -0.588 1.00 0.00 C ATOM 287 C ILE A 18 3.032 -10.388 0.305 1.00 0.00 C ATOM 288 O ILE A 18 3.043 -11.553 -0.094 1.00 0.00 O ATOM 289 CB ILE A 18 3.693 -8.547 -1.282 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.164 -7.426 -2.185 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.521 -9.537 -2.092 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.250 -6.568 -2.794 1.00 0.00 C ATOM 0 H ILE A 18 2.107 -7.369 0.208 1.00 0.00 H new ATOM 0 HA ILE A 18 1.869 -9.704 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 18 4.338 -8.113 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.571 -7.867 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.495 -6.791 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.347 -9.013 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.916 -10.308 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.893 -10.000 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.798 -5.798 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.829 -6.097 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.907 -7.190 -3.402 1.00 0.00 H new ATOM 304 N ALA A 19 3.437 -10.041 1.520 1.00 0.00 N ATOM 305 CA ALA A 19 3.967 -11.020 2.462 1.00 0.00 C ATOM 306 C ALA A 19 2.865 -11.921 3.002 1.00 0.00 C ATOM 307 O ALA A 19 3.101 -13.096 3.299 1.00 0.00 O ATOM 308 CB ALA A 19 4.695 -10.322 3.601 1.00 0.00 C ATOM 0 H ALA A 19 3.409 -9.086 1.878 1.00 0.00 H new ATOM 0 HA ALA A 19 4.679 -11.649 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.084 -11.067 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.520 -9.734 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.003 -9.664 4.126 1.00 0.00 H new ATOM 314 N LYS A 20 1.658 -11.378 3.128 1.00 0.00 N ATOM 315 CA LYS A 20 0.520 -12.172 3.567 1.00 0.00 C ATOM 316 C LYS A 20 0.106 -13.128 2.457 1.00 0.00 C ATOM 317 O LYS A 20 -0.215 -14.291 2.702 1.00 0.00 O ATOM 318 CB LYS A 20 -0.671 -11.281 3.923 1.00 0.00 C ATOM 319 CG LYS A 20 -1.789 -12.037 4.625 1.00 0.00 C ATOM 320 CD LYS A 20 -3.158 -11.464 4.305 1.00 0.00 C ATOM 321 CE LYS A 20 -3.523 -11.690 2.845 1.00 0.00 C ATOM 322 NZ LYS A 20 -4.933 -11.320 2.561 1.00 0.00 N ATOM 0 H LYS A 20 1.445 -10.399 2.934 1.00 0.00 H new ATOM 0 HA LYS A 20 0.819 -12.729 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.331 -10.468 4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.063 -10.826 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.758 -13.086 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.626 -12.005 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.908 -11.928 4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.168 -10.396 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.859 -11.103 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.364 -12.738 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.141 -11.489 1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.568 -11.898 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.079 -10.314 2.780 1.00 0.00 H new ATOM 336 N SER A 21 0.127 -12.611 1.237 1.00 0.00 N ATOM 337 CA SER A 21 -0.300 -13.359 0.067 1.00 0.00 C ATOM 338 C SER A 21 0.612 -14.559 -0.184 1.00 0.00 C ATOM 339 O SER A 21 1.783 -14.566 0.203 1.00 0.00 O ATOM 340 CB SER A 21 -0.320 -12.443 -1.161 1.00 0.00 C ATOM 341 OG SER A 21 -0.936 -13.078 -2.267 1.00 0.00 O ATOM 0 H SER A 21 0.440 -11.662 1.032 1.00 0.00 H new ATOM 0 HA SER A 21 -1.307 -13.734 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.855 -11.524 -0.923 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.700 -12.160 -1.423 1.00 0.00 H new ATOM 0 HG SER A 21 -0.936 -12.470 -3.035 1.00 0.00 H new ATOM 347 N GLU A 22 0.061 -15.567 -0.836 1.00 0.00 N ATOM 348 CA GLU A 22 0.790 -16.791 -1.133 1.00 0.00 C ATOM 349 C GLU A 22 1.301 -16.757 -2.572 1.00 0.00 C ATOM 350 O GLU A 22 1.558 -17.795 -3.188 1.00 0.00 O ATOM 351 CB GLU A 22 -0.131 -17.993 -0.906 1.00 0.00 C ATOM 352 CG GLU A 22 -0.678 -18.058 0.514 1.00 0.00 C ATOM 353 CD GLU A 22 -1.892 -18.954 0.643 1.00 0.00 C ATOM 354 OE1 GLU A 22 -3.008 -18.497 0.310 1.00 0.00 O ATOM 355 OE2 GLU A 22 -1.745 -20.112 1.083 1.00 0.00 O ATOM 0 H GLU A 22 -0.901 -15.562 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 22 1.652 -16.879 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.963 -17.945 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.417 -18.910 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.104 -18.418 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.940 -17.052 0.842 1.00 0.00 H new ATOM 362 N LYS A 23 1.454 -15.547 -3.092 1.00 0.00 N ATOM 363 CA LYS A 23 1.915 -15.339 -4.455 1.00 0.00 C ATOM 364 C LYS A 23 3.334 -14.774 -4.437 1.00 0.00 C ATOM 365 O LYS A 23 3.716 -14.084 -3.492 1.00 0.00 O ATOM 366 CB LYS A 23 0.967 -14.370 -5.173 1.00 0.00 C ATOM 367 CG LYS A 23 1.034 -14.435 -6.690 1.00 0.00 C ATOM 368 CD LYS A 23 0.600 -15.796 -7.205 1.00 0.00 C ATOM 369 CE LYS A 23 0.403 -15.785 -8.709 1.00 0.00 C ATOM 370 NZ LYS A 23 0.021 -17.122 -9.235 1.00 0.00 N ATOM 0 H LYS A 23 1.262 -14.685 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 23 1.922 -16.290 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.055 -14.580 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.197 -13.353 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.396 -13.662 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.052 -14.227 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.350 -16.542 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.329 -16.091 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.369 -15.061 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.323 -15.456 -9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.103 -17.067 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.769 -17.809 -9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.871 -17.426 -8.795 1.00 0.00 H new ATOM 384 N THR A 24 4.114 -15.066 -5.470 1.00 0.00 N ATOM 385 CA THR A 24 5.496 -14.610 -5.534 1.00 0.00 C ATOM 386 C THR A 24 5.595 -13.163 -6.011 1.00 0.00 C ATOM 387 O THR A 24 4.788 -12.705 -6.825 1.00 0.00 O ATOM 388 CB THR A 24 6.341 -15.514 -6.451 1.00 0.00 C ATOM 389 OG1 THR A 24 5.607 -15.845 -7.640 1.00 0.00 O ATOM 390 CG2 THR A 24 6.745 -16.787 -5.729 1.00 0.00 C ATOM 0 H THR A 24 3.813 -15.616 -6.274 1.00 0.00 H new ATOM 0 HA THR A 24 5.890 -14.666 -4.519 1.00 0.00 H new ATOM 0 HB THR A 24 7.242 -14.967 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.156 -16.418 -8.215 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.341 -17.410 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.333 -16.534 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.851 -17.332 -5.425 1.00 0.00 H new ATOM 398 N GLN A 25 6.592 -12.449 -5.495 1.00 0.00 N ATOM 399 CA GLN A 25 6.834 -11.064 -5.882 1.00 0.00 C ATOM 400 C GLN A 25 7.136 -10.975 -7.374 1.00 0.00 C ATOM 401 O GLN A 25 6.678 -10.060 -8.060 1.00 0.00 O ATOM 402 CB GLN A 25 8.010 -10.489 -5.088 1.00 0.00 C ATOM 403 CG GLN A 25 7.778 -10.424 -3.587 1.00 0.00 C ATOM 404 CD GLN A 25 8.993 -9.912 -2.837 1.00 0.00 C ATOM 405 OE1 GLN A 25 9.855 -10.687 -2.421 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.073 -8.603 -2.660 1.00 0.00 N ATOM 0 H GLN A 25 7.249 -12.811 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 25 5.936 -10.485 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.895 -11.095 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.225 -9.485 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.927 -9.775 -3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.518 -11.416 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.338 -7.994 -3.020 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.869 -8.203 -2.164 1.00 0.00 H new ATOM 415 N LEU A 26 7.910 -11.939 -7.859 1.00 0.00 N ATOM 416 CA LEU A 26 8.294 -12.007 -9.262 1.00 0.00 C ATOM 417 C LEU A 26 7.060 -12.036 -10.162 1.00 0.00 C ATOM 418 O LEU A 26 6.990 -11.307 -11.152 1.00 0.00 O ATOM 419 CB LEU A 26 9.151 -13.253 -9.498 1.00 0.00 C ATOM 420 CG LEU A 26 10.349 -13.060 -10.429 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.203 -14.316 -10.460 1.00 0.00 C ATOM 422 CD2 LEU A 26 9.898 -12.697 -11.837 1.00 0.00 C ATOM 0 H LEU A 26 8.289 -12.696 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 26 8.873 -11.117 -9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.515 -13.610 -8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.516 -14.037 -9.909 1.00 0.00 H new ATOM 0 HG LEU A 26 10.946 -12.235 -10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.051 -14.163 -11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.566 -14.534 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.605 -15.154 -10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.771 -12.566 -12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.273 -13.496 -12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.327 -11.769 -11.808 1.00 0.00 H new ATOM 434 N GLU A 27 6.087 -12.869 -9.798 1.00 0.00 N ATOM 435 CA GLU A 27 4.860 -13.010 -10.563 1.00 0.00 C ATOM 436 C GLU A 27 4.148 -11.666 -10.692 1.00 0.00 C ATOM 437 O GLU A 27 3.741 -11.262 -11.783 1.00 0.00 O ATOM 438 CB GLU A 27 3.960 -14.027 -9.862 1.00 0.00 C ATOM 439 CG GLU A 27 3.243 -14.975 -10.801 1.00 0.00 C ATOM 440 CD GLU A 27 2.194 -14.300 -11.663 1.00 0.00 C ATOM 441 OE1 GLU A 27 1.093 -14.007 -11.154 1.00 0.00 O ATOM 442 OE2 GLU A 27 2.459 -14.081 -12.860 1.00 0.00 O ATOM 0 H GLU A 27 6.131 -13.460 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 27 5.095 -13.358 -11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.563 -14.610 -9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.219 -13.491 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.977 -15.457 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.768 -15.762 -10.216 1.00 0.00 H new ATOM 449 N ILE A 28 4.023 -10.968 -9.571 1.00 0.00 N ATOM 450 CA ILE A 28 3.365 -9.671 -9.550 1.00 0.00 C ATOM 451 C ILE A 28 4.162 -8.650 -10.359 1.00 0.00 C ATOM 452 O ILE A 28 3.609 -7.956 -11.210 1.00 0.00 O ATOM 453 CB ILE A 28 3.186 -9.157 -8.104 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.418 -10.186 -7.267 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.461 -7.815 -8.099 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.264 -9.798 -5.810 1.00 0.00 C ATOM 0 H ILE A 28 4.370 -11.280 -8.664 1.00 0.00 H new ATOM 0 HA ILE A 28 2.380 -9.797 -9.999 1.00 0.00 H new ATOM 0 HB ILE A 28 4.172 -9.015 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.429 -10.328 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.933 -11.145 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.344 -7.469 -7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.042 -7.086 -8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.479 -7.930 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.710 -10.575 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.249 -9.684 -5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.722 -8.855 -5.740 1.00 0.00 H new ATOM 468 N ALA A 29 5.467 -8.583 -10.102 1.00 0.00 N ATOM 469 CA ALA A 29 6.346 -7.623 -10.769 1.00 0.00 C ATOM 470 C ALA A 29 6.305 -7.779 -12.283 1.00 0.00 C ATOM 471 O ALA A 29 6.182 -6.793 -13.016 1.00 0.00 O ATOM 472 CB ALA A 29 7.774 -7.784 -10.270 1.00 0.00 C ATOM 0 H ALA A 29 5.942 -9.187 -9.431 1.00 0.00 H new ATOM 0 HA ALA A 29 5.987 -6.623 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.419 -7.064 -10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.806 -7.609 -9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.122 -8.795 -10.484 1.00 0.00 H new ATOM 478 N LYS A 30 6.397 -9.019 -12.747 1.00 0.00 N ATOM 479 CA LYS A 30 6.386 -9.304 -14.174 1.00 0.00 C ATOM 480 C LYS A 30 5.047 -8.906 -14.789 1.00 0.00 C ATOM 481 O LYS A 30 4.995 -8.364 -15.894 1.00 0.00 O ATOM 482 CB LYS A 30 6.662 -10.789 -14.420 1.00 0.00 C ATOM 483 CG LYS A 30 6.876 -11.133 -15.882 1.00 0.00 C ATOM 484 CD LYS A 30 7.168 -12.610 -16.069 1.00 0.00 C ATOM 485 CE LYS A 30 7.502 -12.926 -17.516 1.00 0.00 C ATOM 486 NZ LYS A 30 7.793 -14.365 -17.718 1.00 0.00 N ATOM 0 H LYS A 30 6.480 -9.844 -12.153 1.00 0.00 H new ATOM 0 HA LYS A 30 7.172 -8.718 -14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.545 -11.085 -13.853 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.826 -11.374 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.989 -10.861 -16.454 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.704 -10.544 -16.278 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.000 -12.902 -15.429 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.304 -13.196 -15.756 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.668 -12.632 -18.153 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.364 -12.335 -17.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.016 -14.537 -18.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.605 -14.641 -17.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.962 -14.929 -17.447 1.00 0.00 H new ATOM 500 N SER A 31 3.971 -9.161 -14.051 1.00 0.00 N ATOM 501 CA SER A 31 2.631 -8.825 -14.506 1.00 0.00 C ATOM 502 C SER A 31 2.440 -7.310 -14.566 1.00 0.00 C ATOM 503 O SER A 31 1.737 -6.798 -15.442 1.00 0.00 O ATOM 504 CB SER A 31 1.593 -9.465 -13.585 1.00 0.00 C ATOM 505 OG SER A 31 1.756 -10.872 -13.546 1.00 0.00 O ATOM 0 H SER A 31 4.004 -9.601 -13.132 1.00 0.00 H new ATOM 0 HA SER A 31 2.496 -9.218 -15.514 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.690 -9.055 -12.580 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.590 -9.220 -13.934 1.00 0.00 H new ATOM 0 HG SER A 31 2.524 -11.097 -12.980 1.00 0.00 H new ATOM 511 N ILE A 32 3.067 -6.599 -13.634 1.00 0.00 N ATOM 512 CA ILE A 32 3.062 -5.142 -13.653 1.00 0.00 C ATOM 513 C ILE A 32 3.806 -4.647 -14.883 1.00 0.00 C ATOM 514 O ILE A 32 3.350 -3.741 -15.585 1.00 0.00 O ATOM 515 CB ILE A 32 3.719 -4.546 -12.384 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.974 -4.997 -11.127 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.765 -3.025 -12.454 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.503 -4.636 -11.119 1.00 0.00 C ATOM 0 H ILE A 32 3.585 -7.009 -12.857 1.00 0.00 H new ATOM 0 HA ILE A 32 2.023 -4.814 -13.680 1.00 0.00 H new ATOM 0 HB ILE A 32 4.743 -4.916 -12.333 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.073 -6.078 -11.027 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.452 -4.551 -10.255 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.231 -2.633 -11.550 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.346 -2.718 -13.324 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.751 -2.634 -12.538 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.046 -4.990 -10.195 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.394 -3.554 -11.186 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.009 -5.104 -11.970 1.00 0.00 H new ATOM 530 N GLY A 33 4.949 -5.262 -15.141 1.00 0.00 N ATOM 531 CA GLY A 33 5.749 -4.896 -16.287 1.00 0.00 C ATOM 532 C GLY A 33 7.115 -4.383 -15.885 1.00 0.00 C ATOM 533 O GLY A 33 7.790 -3.716 -16.666 1.00 0.00 O ATOM 0 H GLY A 33 5.338 -6.014 -14.572 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.864 -5.761 -16.940 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.229 -4.130 -16.862 1.00 0.00 H new ATOM 537 N VAL A 34 7.525 -4.691 -14.665 1.00 0.00 N ATOM 538 CA VAL A 34 8.818 -4.253 -14.161 1.00 0.00 C ATOM 539 C VAL A 34 9.684 -5.451 -13.792 1.00 0.00 C ATOM 540 O VAL A 34 9.183 -6.559 -13.594 1.00 0.00 O ATOM 541 CB VAL A 34 8.675 -3.324 -12.934 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.957 -2.039 -13.315 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.943 -4.030 -11.801 1.00 0.00 C ATOM 0 H VAL A 34 6.980 -5.244 -14.004 1.00 0.00 H new ATOM 0 HA VAL A 34 9.297 -3.689 -14.961 1.00 0.00 H new ATOM 0 HB VAL A 34 9.676 -3.069 -12.585 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.866 -1.399 -12.437 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.526 -1.519 -14.086 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.963 -2.276 -13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.855 -3.356 -10.949 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.948 -4.322 -12.137 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.501 -4.918 -11.505 1.00 0.00 H new ATOM 553 N SER A 35 10.983 -5.226 -13.717 1.00 0.00 N ATOM 554 CA SER A 35 11.911 -6.264 -13.307 1.00 0.00 C ATOM 555 C SER A 35 11.797 -6.509 -11.806 1.00 0.00 C ATOM 556 O SER A 35 11.517 -5.583 -11.043 1.00 0.00 O ATOM 557 CB SER A 35 13.338 -5.850 -13.668 1.00 0.00 C ATOM 558 OG SER A 35 13.463 -5.621 -15.061 1.00 0.00 O ATOM 0 H SER A 35 11.420 -4.331 -13.935 1.00 0.00 H new ATOM 0 HA SER A 35 11.665 -7.189 -13.829 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.608 -4.946 -13.122 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.036 -6.629 -13.360 1.00 0.00 H new ATOM 0 HG SER A 35 14.384 -5.356 -15.268 1.00 0.00 H new ATOM 564 N PRO A 36 12.003 -7.763 -11.358 1.00 0.00 N ATOM 565 CA PRO A 36 11.985 -8.106 -9.931 1.00 0.00 C ATOM 566 C PRO A 36 13.013 -7.293 -9.150 1.00 0.00 C ATOM 567 O PRO A 36 12.852 -7.043 -7.957 1.00 0.00 O ATOM 568 CB PRO A 36 12.340 -9.600 -9.902 1.00 0.00 C ATOM 569 CG PRO A 36 12.918 -9.897 -11.246 1.00 0.00 C ATOM 570 CD PRO A 36 12.259 -8.942 -12.198 1.00 0.00 C ATOM 0 HA PRO A 36 11.022 -7.890 -9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.056 -9.818 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.457 -10.210 -9.711 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.000 -9.763 -11.244 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.726 -10.931 -11.534 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.905 -8.703 -13.043 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.337 -9.353 -12.609 1.00 0.00 H new ATOM 578 N GLN A 37 14.058 -6.871 -9.852 1.00 0.00 N ATOM 579 CA GLN A 37 15.089 -6.013 -9.286 1.00 0.00 C ATOM 580 C GLN A 37 14.495 -4.666 -8.884 1.00 0.00 C ATOM 581 O GLN A 37 14.770 -4.149 -7.800 1.00 0.00 O ATOM 582 CB GLN A 37 16.205 -5.813 -10.312 1.00 0.00 C ATOM 583 CG GLN A 37 16.798 -7.119 -10.818 1.00 0.00 C ATOM 584 CD GLN A 37 17.642 -6.933 -12.060 1.00 0.00 C ATOM 585 OE1 GLN A 37 17.137 -7.007 -13.181 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.928 -6.697 -11.878 1.00 0.00 N ATOM 0 H GLN A 37 14.213 -7.115 -10.830 1.00 0.00 H new ATOM 0 HA GLN A 37 15.500 -6.488 -8.395 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.814 -5.248 -11.158 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.997 -5.212 -9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.408 -7.565 -10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 37 15.992 -7.820 -11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.308 -6.643 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.542 -6.568 -12.682 1.00 0.00 H new ATOM 595 N THR A 38 13.653 -4.116 -9.754 1.00 0.00 N ATOM 596 CA THR A 38 13.002 -2.844 -9.494 1.00 0.00 C ATOM 597 C THR A 38 11.958 -3.012 -8.397 1.00 0.00 C ATOM 598 O THR A 38 11.812 -2.163 -7.515 1.00 0.00 O ATOM 599 CB THR A 38 12.335 -2.310 -10.775 1.00 0.00 C ATOM 600 OG1 THR A 38 13.286 -2.306 -11.849 1.00 0.00 O ATOM 601 CG2 THR A 38 11.794 -0.904 -10.570 1.00 0.00 C ATOM 0 H THR A 38 13.407 -4.538 -10.650 1.00 0.00 H new ATOM 0 HA THR A 38 13.754 -2.126 -9.167 1.00 0.00 H new ATOM 0 HB THR A 38 11.500 -2.965 -11.021 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.858 -1.967 -12.663 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.329 -0.555 -11.492 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.053 -0.912 -9.771 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.611 -0.235 -10.300 1.00 0.00 H new ATOM 609 N PHE A 39 11.261 -4.136 -8.444 1.00 0.00 N ATOM 610 CA PHE A 39 10.263 -4.467 -7.441 1.00 0.00 C ATOM 611 C PHE A 39 10.929 -4.621 -6.076 1.00 0.00 C ATOM 612 O PHE A 39 10.359 -4.263 -5.044 1.00 0.00 O ATOM 613 CB PHE A 39 9.553 -5.761 -7.842 1.00 0.00 C ATOM 614 CG PHE A 39 8.237 -5.977 -7.150 1.00 0.00 C ATOM 615 CD1 PHE A 39 7.085 -5.378 -7.632 1.00 0.00 C ATOM 616 CD2 PHE A 39 8.151 -6.782 -6.026 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.870 -5.575 -7.006 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.938 -6.982 -5.395 1.00 0.00 C ATOM 619 CZ PHE A 39 5.796 -6.378 -5.887 1.00 0.00 C ATOM 0 H PHE A 39 11.370 -4.840 -9.174 1.00 0.00 H new ATOM 0 HA PHE A 39 9.528 -3.665 -7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.388 -5.754 -8.919 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.208 -6.605 -7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.138 -4.749 -8.508 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.040 -7.258 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.979 -5.101 -7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.882 -7.610 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.847 -6.535 -5.396 1.00 0.00 H new ATOM 629 N ASN A 40 12.152 -5.139 -6.085 1.00 0.00 N ATOM 630 CA ASN A 40 12.922 -5.332 -4.864 1.00 0.00 C ATOM 631 C ASN A 40 13.288 -3.994 -4.231 1.00 0.00 C ATOM 632 O ASN A 40 13.240 -3.849 -3.012 1.00 0.00 O ATOM 633 CB ASN A 40 14.187 -6.149 -5.154 1.00 0.00 C ATOM 634 CG ASN A 40 15.034 -6.381 -3.918 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.779 -7.303 -3.143 1.00 0.00 O ATOM 636 ND2 ASN A 40 16.066 -5.570 -3.742 1.00 0.00 N ATOM 0 H ASN A 40 12.634 -5.435 -6.934 1.00 0.00 H new ATOM 0 HA ASN A 40 12.303 -5.883 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.903 -7.111 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.783 -5.632 -5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.684 -5.698 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.243 -4.818 -4.408 1.00 0.00 H new ATOM 643 N THR A 41 13.642 -3.011 -5.055 1.00 0.00 N ATOM 644 CA THR A 41 13.985 -1.692 -4.533 1.00 0.00 C ATOM 645 C THR A 41 12.751 -1.005 -3.945 1.00 0.00 C ATOM 646 O THR A 41 12.866 -0.129 -3.088 1.00 0.00 O ATOM 647 CB THR A 41 14.644 -0.785 -5.599 1.00 0.00 C ATOM 648 OG1 THR A 41 13.803 -0.650 -6.753 1.00 0.00 O ATOM 649 CG2 THR A 41 15.996 -1.341 -6.020 1.00 0.00 C ATOM 0 H THR A 41 13.698 -3.100 -6.070 1.00 0.00 H new ATOM 0 HA THR A 41 14.719 -1.849 -3.743 1.00 0.00 H new ATOM 0 HB THR A 41 14.786 0.198 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.009 -1.215 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.441 -0.687 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.653 -1.397 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.865 -2.338 -6.440 1.00 0.00 H new ATOM 657 N TRP A 42 11.571 -1.427 -4.394 1.00 0.00 N ATOM 658 CA TRP A 42 10.320 -0.956 -3.815 1.00 0.00 C ATOM 659 C TRP A 42 10.084 -1.649 -2.478 1.00 0.00 C ATOM 660 O TRP A 42 9.730 -1.015 -1.484 1.00 0.00 O ATOM 661 CB TRP A 42 9.137 -1.238 -4.750 1.00 0.00 C ATOM 662 CG TRP A 42 9.194 -0.508 -6.062 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.959 0.581 -6.375 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.429 -0.811 -7.236 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.720 0.968 -7.673 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.782 0.129 -8.221 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.481 -1.788 -7.546 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.216 0.120 -9.496 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.921 -1.798 -8.810 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.288 -0.848 -9.771 1.00 0.00 C ATOM 0 H TRP A 42 11.457 -2.094 -5.157 1.00 0.00 H new ATOM 0 HA TRP A 42 10.395 0.122 -3.670 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.092 -2.309 -4.946 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.213 -0.969 -4.238 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.650 1.066 -5.702 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.167 1.751 -8.150 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.190 -2.524 -6.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.500 0.850 -10.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.188 -2.551 -9.060 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.830 -0.880 -10.748 1.00 0.00 H new ATOM 681 N CYS A 43 10.302 -2.961 -2.472 1.00 0.00 N ATOM 682 CA CYS A 43 10.132 -3.785 -1.279 1.00 0.00 C ATOM 683 C CYS A 43 11.093 -3.370 -0.171 1.00 0.00 C ATOM 684 O CYS A 43 10.785 -3.505 1.012 1.00 0.00 O ATOM 685 CB CYS A 43 10.350 -5.258 -1.634 1.00 0.00 C ATOM 686 SG CYS A 43 10.220 -6.389 -0.233 1.00 0.00 S ATOM 0 H CYS A 43 10.602 -3.483 -3.295 1.00 0.00 H new ATOM 0 HA CYS A 43 9.116 -3.642 -0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.620 -5.549 -2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.336 -5.369 -2.084 1.00 0.00 H new ATOM 0 HG CYS A 43 10.391 -5.730 0.874 1.00 0.00 H new ATOM 692 N LYS A 44 12.259 -2.879 -0.557 1.00 0.00 N ATOM 693 CA LYS A 44 13.255 -2.439 0.396 1.00 0.00 C ATOM 694 C LYS A 44 13.021 -0.993 0.823 1.00 0.00 C ATOM 695 O LYS A 44 13.722 -0.476 1.691 1.00 0.00 O ATOM 696 CB LYS A 44 14.645 -2.595 -0.217 1.00 0.00 C ATOM 697 CG LYS A 44 15.150 -4.035 -0.294 1.00 0.00 C ATOM 698 CD LYS A 44 15.370 -4.641 1.089 1.00 0.00 C ATOM 699 CE LYS A 44 14.103 -5.274 1.648 1.00 0.00 C ATOM 700 NZ LYS A 44 14.227 -5.576 3.099 1.00 0.00 N ATOM 0 H LYS A 44 12.537 -2.776 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 44 13.177 -3.059 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.633 -2.174 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.353 -2.007 0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.431 -4.642 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.085 -4.061 -0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.156 -5.394 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.719 -3.866 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.260 -4.601 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.886 -6.193 1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.344 -6.006 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.015 -6.238 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.409 -4.696 3.622 1.00 0.00 H new ATOM 714 N GLY A 45 12.024 -0.350 0.221 1.00 0.00 N ATOM 715 CA GLY A 45 11.733 1.040 0.535 1.00 0.00 C ATOM 716 C GLY A 45 12.810 1.995 0.046 1.00 0.00 C ATOM 717 O GLY A 45 12.965 3.095 0.577 1.00 0.00 O ATOM 0 H GLY A 45 11.411 -0.767 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.779 1.316 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.621 1.148 1.614 1.00 0.00 H new ATOM 721 N ILE A 46 13.544 1.580 -0.977 1.00 0.00 N ATOM 722 CA ILE A 46 14.620 2.394 -1.531 1.00 0.00 C ATOM 723 C ILE A 46 14.044 3.494 -2.414 1.00 0.00 C ATOM 724 O ILE A 46 14.531 4.627 -2.426 1.00 0.00 O ATOM 725 CB ILE A 46 15.609 1.531 -2.354 1.00 0.00 C ATOM 726 CG1 ILE A 46 16.197 0.417 -1.481 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.720 2.390 -2.942 1.00 0.00 C ATOM 728 CD1 ILE A 46 17.121 -0.522 -2.228 1.00 0.00 C ATOM 0 H ILE A 46 13.414 0.682 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 46 15.163 2.842 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 46 15.061 1.076 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.744 0.868 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.381 -0.161 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.401 1.761 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.287 3.147 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.268 2.878 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.497 -1.283 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.574 -1.002 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.958 0.042 -2.639 1.00 0.00 H new ATOM 740 N ALA A 47 12.993 3.156 -3.141 1.00 0.00 N ATOM 741 CA ALA A 47 12.344 4.099 -4.029 1.00 0.00 C ATOM 742 C ALA A 47 10.861 3.800 -4.115 1.00 0.00 C ATOM 743 O ALA A 47 10.443 2.653 -3.960 1.00 0.00 O ATOM 744 CB ALA A 47 12.973 4.052 -5.414 1.00 0.00 C ATOM 0 H ALA A 47 12.570 2.228 -3.132 1.00 0.00 H new ATOM 0 HA ALA A 47 12.478 5.102 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.472 4.767 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.031 4.306 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.868 3.049 -5.827 1.00 0.00 H new ATOM 750 N ILE A 48 10.072 4.835 -4.341 1.00 0.00 N ATOM 751 CA ILE A 48 8.638 4.678 -4.512 1.00 0.00 C ATOM 752 C ILE A 48 8.273 4.866 -5.976 1.00 0.00 C ATOM 753 O ILE A 48 8.668 5.854 -6.595 1.00 0.00 O ATOM 754 CB ILE A 48 7.843 5.688 -3.644 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.075 5.402 -2.159 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.351 5.636 -3.963 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.436 6.415 -1.227 1.00 0.00 C ATOM 0 H ILE A 48 10.402 5.798 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 48 8.371 3.672 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 48 8.203 6.690 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.684 4.412 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.148 5.375 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.820 6.355 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.195 5.882 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.971 4.634 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.646 6.142 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.844 7.405 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.358 6.427 -1.387 1.00 0.00 H new ATOM 769 N PRO A 49 7.533 3.910 -6.549 1.00 0.00 N ATOM 770 CA PRO A 49 7.092 3.985 -7.940 1.00 0.00 C ATOM 771 C PRO A 49 6.133 5.145 -8.160 1.00 0.00 C ATOM 772 O PRO A 49 5.451 5.589 -7.234 1.00 0.00 O ATOM 773 CB PRO A 49 6.389 2.644 -8.166 1.00 0.00 C ATOM 774 CG PRO A 49 5.968 2.208 -6.805 1.00 0.00 C ATOM 775 CD PRO A 49 7.052 2.688 -5.883 1.00 0.00 C ATOM 0 HA PRO A 49 7.917 4.157 -8.631 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.532 2.752 -8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.059 1.917 -8.626 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.003 2.637 -6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.860 1.125 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.670 2.896 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.845 1.949 -5.773 1.00 0.00 H new ATOM 783 N ARG A 50 6.092 5.650 -9.378 1.00 0.00 N ATOM 784 CA ARG A 50 5.233 6.775 -9.694 1.00 0.00 C ATOM 785 C ARG A 50 3.869 6.276 -10.159 1.00 0.00 C ATOM 786 O ARG A 50 3.675 5.068 -10.331 1.00 0.00 O ATOM 787 CB ARG A 50 5.902 7.666 -10.742 1.00 0.00 C ATOM 788 CG ARG A 50 7.307 8.082 -10.330 1.00 0.00 C ATOM 789 CD ARG A 50 7.938 9.059 -11.306 1.00 0.00 C ATOM 790 NE ARG A 50 9.349 9.284 -10.991 1.00 0.00 N ATOM 791 CZ ARG A 50 9.952 10.472 -11.028 1.00 0.00 C ATOM 792 NH1 ARG A 50 9.280 11.564 -11.355 1.00 0.00 N ATOM 793 NH2 ARG A 50 11.236 10.566 -10.725 1.00 0.00 N ATOM 0 H ARG A 50 6.642 5.300 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 50 5.076 7.378 -8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.946 7.135 -11.693 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.293 8.556 -10.902 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.272 8.536 -9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.936 7.195 -10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.846 8.673 -12.321 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.400 10.007 -11.275 1.00 0.00 H new ATOM 0 HE ARG A 50 9.910 8.475 -10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.288 11.503 -11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.754 12.467 -11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.761 9.731 -10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.701 11.473 -10.752 1.00 0.00 H new ATOM 807 N MET A 51 2.937 7.202 -10.364 1.00 0.00 N ATOM 808 CA MET A 51 1.535 6.859 -10.620 1.00 0.00 C ATOM 809 C MET A 51 1.364 5.901 -11.797 1.00 0.00 C ATOM 810 O MET A 51 0.435 5.094 -11.805 1.00 0.00 O ATOM 811 CB MET A 51 0.704 8.121 -10.860 1.00 0.00 C ATOM 812 CG MET A 51 0.538 8.982 -9.620 1.00 0.00 C ATOM 813 SD MET A 51 -0.529 10.405 -9.901 1.00 0.00 S ATOM 814 CE MET A 51 -2.049 9.603 -10.401 1.00 0.00 C ATOM 0 H MET A 51 3.126 8.204 -10.358 1.00 0.00 H new ATOM 0 HA MET A 51 1.177 6.347 -9.727 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.176 8.714 -11.644 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.281 7.833 -11.227 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.124 8.376 -8.814 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.517 9.327 -9.288 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.896 10.242 -10.153 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.030 9.426 -11.476 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.147 8.651 -9.879 1.00 0.00 H new ATOM 824 N GLY A 52 2.259 5.986 -12.775 1.00 0.00 N ATOM 825 CA GLY A 52 2.181 5.114 -13.932 1.00 0.00 C ATOM 826 C GLY A 52 2.265 3.646 -13.561 1.00 0.00 C ATOM 827 O GLY A 52 1.491 2.824 -14.058 1.00 0.00 O ATOM 0 H GLY A 52 3.038 6.644 -12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.245 5.299 -14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.989 5.358 -14.622 1.00 0.00 H new ATOM 831 N LYS A 53 3.202 3.304 -12.686 1.00 0.00 N ATOM 832 CA LYS A 53 3.367 1.921 -12.262 1.00 0.00 C ATOM 833 C LYS A 53 2.432 1.587 -11.102 1.00 0.00 C ATOM 834 O LYS A 53 1.974 0.451 -10.977 1.00 0.00 O ATOM 835 CB LYS A 53 4.820 1.629 -11.869 1.00 0.00 C ATOM 836 CG LYS A 53 5.690 1.068 -12.996 1.00 0.00 C ATOM 837 CD LYS A 53 6.276 2.150 -13.902 1.00 0.00 C ATOM 838 CE LYS A 53 5.278 2.666 -14.930 1.00 0.00 C ATOM 839 NZ LYS A 53 4.790 1.591 -15.832 1.00 0.00 N ATOM 0 H LYS A 53 3.855 3.961 -12.259 1.00 0.00 H new ATOM 0 HA LYS A 53 3.107 1.288 -13.110 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.274 2.549 -11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.822 0.921 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.504 0.487 -12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.094 0.382 -13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.622 2.982 -13.289 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.149 1.751 -14.419 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.430 3.118 -14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.745 3.451 -15.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.430 2.013 -16.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.572 0.942 -16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.026 1.065 -15.363 1.00 0.00 H new ATOM 853 N VAL A 54 2.140 2.578 -10.262 1.00 0.00 N ATOM 854 CA VAL A 54 1.223 2.378 -9.143 1.00 0.00 C ATOM 855 C VAL A 54 -0.175 2.050 -9.657 1.00 0.00 C ATOM 856 O VAL A 54 -0.905 1.269 -9.045 1.00 0.00 O ATOM 857 CB VAL A 54 1.166 3.606 -8.206 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.200 3.368 -7.057 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.547 3.917 -7.662 1.00 0.00 C ATOM 0 H VAL A 54 2.522 3.521 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 54 1.604 1.539 -8.561 1.00 0.00 H new ATOM 0 HB VAL A 54 0.810 4.457 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.178 4.247 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.799 3.184 -7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.527 2.503 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.492 4.784 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.919 3.059 -7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.224 4.132 -8.489 1.00 0.00 H new ATOM 869 N GLN A 55 -0.536 2.644 -10.793 1.00 0.00 N ATOM 870 CA GLN A 55 -1.808 2.353 -11.450 1.00 0.00 C ATOM 871 C GLN A 55 -1.975 0.849 -11.664 1.00 0.00 C ATOM 872 O GLN A 55 -3.052 0.298 -11.435 1.00 0.00 O ATOM 873 CB GLN A 55 -1.889 3.075 -12.799 1.00 0.00 C ATOM 874 CG GLN A 55 -3.158 2.777 -13.590 1.00 0.00 C ATOM 875 CD GLN A 55 -4.414 3.319 -12.934 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.819 4.452 -13.189 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.031 2.517 -12.083 1.00 0.00 N ATOM 0 H GLN A 55 0.038 3.333 -11.279 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.610 2.708 -10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.824 4.150 -12.628 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.024 2.795 -13.401 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.064 3.204 -14.588 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.257 1.698 -13.713 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.660 1.584 -11.901 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.878 2.831 -11.609 1.00 0.00 H new ATOM 886 N ALA A 56 -0.899 0.193 -12.089 1.00 0.00 N ATOM 887 CA ALA A 56 -0.924 -1.244 -12.332 1.00 0.00 C ATOM 888 C ALA A 56 -1.041 -2.012 -11.020 1.00 0.00 C ATOM 889 O ALA A 56 -1.766 -3.001 -10.929 1.00 0.00 O ATOM 890 CB ALA A 56 0.319 -1.676 -13.095 1.00 0.00 C ATOM 0 H ALA A 56 0.002 0.635 -12.272 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.800 -1.473 -12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.284 -2.752 -13.268 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.358 -1.156 -14.052 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.207 -1.431 -12.512 1.00 0.00 H new ATOM 896 N LEU A 57 -0.329 -1.539 -9.999 1.00 0.00 N ATOM 897 CA LEU A 57 -0.389 -2.143 -8.674 1.00 0.00 C ATOM 898 C LEU A 57 -1.806 -2.062 -8.113 1.00 0.00 C ATOM 899 O LEU A 57 -2.360 -3.057 -7.644 1.00 0.00 O ATOM 900 CB LEU A 57 0.586 -1.439 -7.729 1.00 0.00 C ATOM 901 CG LEU A 57 2.068 -1.617 -8.071 1.00 0.00 C ATOM 902 CD1 LEU A 57 2.927 -0.748 -7.166 1.00 0.00 C ATOM 903 CD2 LEU A 57 2.470 -3.078 -7.932 1.00 0.00 C ATOM 0 H LEU A 57 0.297 -0.737 -10.067 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.106 -3.192 -8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.356 -0.374 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.416 -1.807 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 57 2.225 -1.308 -9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.978 -0.885 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.654 0.299 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.765 -1.034 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.526 -3.190 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.300 -3.406 -6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.873 -3.686 -8.612 1.00 0.00 H new ATOM 915 N ALA A 58 -2.393 -0.875 -8.198 1.00 0.00 N ATOM 916 CA ALA A 58 -3.749 -0.645 -7.717 1.00 0.00 C ATOM 917 C ALA A 58 -4.762 -1.448 -8.527 1.00 0.00 C ATOM 918 O ALA A 58 -5.812 -1.829 -8.019 1.00 0.00 O ATOM 919 CB ALA A 58 -4.081 0.842 -7.765 1.00 0.00 C ATOM 0 H ALA A 58 -1.947 -0.050 -8.599 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.806 -0.983 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.097 1.000 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.382 1.391 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.002 1.199 -8.792 1.00 0.00 H new ATOM 925 N ASP A 59 -4.433 -1.710 -9.782 1.00 0.00 N ATOM 926 CA ASP A 59 -5.306 -2.477 -10.662 1.00 0.00 C ATOM 927 C ASP A 59 -5.266 -3.959 -10.305 1.00 0.00 C ATOM 928 O ASP A 59 -6.296 -4.633 -10.271 1.00 0.00 O ATOM 929 CB ASP A 59 -4.879 -2.277 -12.116 1.00 0.00 C ATOM 930 CG ASP A 59 -5.753 -3.028 -13.099 1.00 0.00 C ATOM 931 OD1 ASP A 59 -6.756 -2.453 -13.572 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.426 -4.188 -13.426 1.00 0.00 O ATOM 0 H ASP A 59 -3.564 -1.402 -10.217 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.328 -2.121 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.906 -1.214 -12.354 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.846 -2.604 -12.234 1.00 0.00 H new ATOM 937 N TYR A 60 -4.066 -4.453 -10.024 1.00 0.00 N ATOM 938 CA TYR A 60 -3.864 -5.854 -9.669 1.00 0.00 C ATOM 939 C TYR A 60 -4.571 -6.193 -8.359 1.00 0.00 C ATOM 940 O TYR A 60 -5.165 -7.261 -8.218 1.00 0.00 O ATOM 941 CB TYR A 60 -2.367 -6.155 -9.550 1.00 0.00 C ATOM 942 CG TYR A 60 -2.051 -7.616 -9.312 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.986 -8.517 -10.367 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.816 -8.094 -8.028 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.700 -9.853 -10.151 1.00 0.00 C ATOM 946 CE2 TYR A 60 -1.530 -9.427 -7.802 1.00 0.00 C ATOM 947 CZ TYR A 60 -1.472 -10.301 -8.866 1.00 0.00 C ATOM 948 OH TYR A 60 -1.189 -11.631 -8.644 1.00 0.00 O ATOM 0 H TYR A 60 -3.210 -3.898 -10.035 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.293 -6.471 -10.459 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.868 -5.830 -10.463 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.952 -5.566 -8.732 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.162 -8.168 -11.374 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.858 -7.411 -7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.655 -10.541 -10.982 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.353 -9.782 -6.797 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.054 -11.781 -7.685 1.00 0.00 H new ATOM 958 N PHE A 61 -4.497 -5.280 -7.404 1.00 0.00 N ATOM 959 CA PHE A 61 -5.101 -5.494 -6.094 1.00 0.00 C ATOM 960 C PHE A 61 -6.537 -4.969 -6.052 1.00 0.00 C ATOM 961 O PHE A 61 -7.251 -5.190 -5.072 1.00 0.00 O ATOM 962 CB PHE A 61 -4.263 -4.818 -5.006 1.00 0.00 C ATOM 963 CG PHE A 61 -2.938 -5.483 -4.747 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.847 -6.554 -3.873 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.783 -5.029 -5.363 1.00 0.00 C ATOM 966 CE1 PHE A 61 -1.631 -7.160 -3.619 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.564 -5.631 -5.115 1.00 0.00 C ATOM 968 CZ PHE A 61 -0.488 -6.699 -4.241 1.00 0.00 C ATOM 0 H PHE A 61 -4.025 -4.382 -7.509 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.127 -6.568 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.087 -3.781 -5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.836 -4.802 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.738 -6.920 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.836 -4.194 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.575 -7.993 -2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.328 -5.267 -5.603 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.463 -7.172 -4.045 1.00 0.00 H new ATOM 978 N ASN A 62 -6.948 -4.291 -7.124 1.00 0.00 N ATOM 979 CA ASN A 62 -8.268 -3.664 -7.209 1.00 0.00 C ATOM 980 C ASN A 62 -8.507 -2.721 -6.038 1.00 0.00 C ATOM 981 O ASN A 62 -9.462 -2.872 -5.274 1.00 0.00 O ATOM 982 CB ASN A 62 -9.379 -4.708 -7.297 1.00 0.00 C ATOM 983 CG ASN A 62 -9.450 -5.355 -8.665 1.00 0.00 C ATOM 984 OD1 ASN A 62 -8.820 -6.384 -8.912 1.00 0.00 O ATOM 985 ND2 ASN A 62 -10.213 -4.753 -9.564 1.00 0.00 N ATOM 0 H ASN A 62 -6.375 -4.161 -7.958 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.289 -3.077 -8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.214 -5.476 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.336 -4.238 -7.069 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.296 -5.140 -10.504 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.718 -3.902 -9.317 1.00 0.00 H new ATOM 992 N ILE A 63 -7.618 -1.750 -5.909 1.00 0.00 N ATOM 993 CA ILE A 63 -7.697 -0.753 -4.855 1.00 0.00 C ATOM 994 C ILE A 63 -7.454 0.635 -5.437 1.00 0.00 C ATOM 995 O ILE A 63 -7.389 0.799 -6.656 1.00 0.00 O ATOM 996 CB ILE A 63 -6.670 -1.021 -3.731 1.00 0.00 C ATOM 997 CG1 ILE A 63 -5.256 -1.125 -4.312 1.00 0.00 C ATOM 998 CG2 ILE A 63 -7.033 -2.284 -2.958 1.00 0.00 C ATOM 999 CD1 ILE A 63 -4.182 -1.330 -3.266 1.00 0.00 C ATOM 0 H ILE A 63 -6.820 -1.631 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.696 -0.811 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.694 -0.182 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.224 -1.953 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.036 -0.217 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.297 -2.454 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.020 -2.166 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.041 -3.136 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.208 -1.394 -3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.186 -0.490 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.377 -2.253 -2.720 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.329 1.632 -4.577 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.073 2.994 -5.025 1.00 0.00 C ATOM 1013 C ASN A 64 -5.586 3.299 -4.955 1.00 0.00 C ATOM 1014 O ASN A 64 -4.840 2.631 -4.237 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.850 4.002 -4.175 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.348 3.810 -4.280 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -9.999 4.405 -5.139 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.903 2.979 -3.410 1.00 0.00 N ATOM 0 H ASN A 64 -7.400 1.526 -3.565 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.409 3.080 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.546 3.905 -3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.593 5.013 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.909 2.811 -3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.324 2.507 -2.715 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.160 4.320 -5.688 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.755 4.701 -5.727 1.00 0.00 C ATOM 1027 C LYS A 65 -3.307 5.206 -4.357 1.00 0.00 C ATOM 1028 O LYS A 65 -2.163 5.007 -3.950 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.535 5.769 -6.813 1.00 0.00 C ATOM 1030 CG LYS A 65 -2.073 6.127 -7.074 1.00 0.00 C ATOM 1031 CD LYS A 65 -1.582 7.265 -6.186 1.00 0.00 C ATOM 1032 CE LYS A 65 -2.289 8.569 -6.516 1.00 0.00 C ATOM 1033 NZ LYS A 65 -1.859 9.676 -5.626 1.00 0.00 N ATOM 0 H LYS A 65 -5.770 4.900 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.151 3.829 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.980 5.417 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.070 6.674 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.452 5.247 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.953 6.409 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.752 7.012 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.507 7.390 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.087 8.838 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.366 8.430 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.365 10.547 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.075 9.431 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.835 9.827 -5.730 1.00 0.00 H new ATOM 1047 N SER A 66 -4.225 5.837 -3.640 1.00 0.00 N ATOM 1048 CA SER A 66 -3.926 6.386 -2.326 1.00 0.00 C ATOM 1049 C SER A 66 -3.819 5.291 -1.267 1.00 0.00 C ATOM 1050 O SER A 66 -3.102 5.451 -0.281 1.00 0.00 O ATOM 1051 CB SER A 66 -5.000 7.404 -1.931 1.00 0.00 C ATOM 1052 OG SER A 66 -6.303 6.867 -2.108 1.00 0.00 O ATOM 0 H SER A 66 -5.187 5.982 -3.948 1.00 0.00 H new ATOM 0 HA SER A 66 -2.958 6.883 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.862 7.697 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.890 8.306 -2.533 1.00 0.00 H new ATOM 0 HG SER A 66 -6.971 7.536 -1.847 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.496 4.164 -1.497 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.605 3.103 -0.488 1.00 0.00 C ATOM 1060 C ASP A 67 -3.241 2.522 -0.119 1.00 0.00 C ATOM 1061 O ASP A 67 -3.069 1.978 0.966 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.520 1.971 -0.970 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.980 2.374 -1.066 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.406 3.291 -0.332 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.717 1.757 -1.868 1.00 0.00 O ATOM 0 H ASP A 67 -4.978 3.961 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.037 3.565 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.180 1.631 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.429 1.125 -0.289 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.283 2.628 -1.027 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.941 2.108 -0.785 1.00 0.00 C ATOM 1072 C LEU A 68 -0.038 3.164 -0.161 1.00 0.00 C ATOM 1073 O LEU A 68 0.987 2.841 0.436 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.317 1.605 -2.091 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.962 0.348 -2.681 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.311 -0.014 -4.009 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.854 -0.813 -1.703 1.00 0.00 C ATOM 0 H LEU A 68 -2.407 3.069 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.034 1.278 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.371 2.403 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.740 1.403 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.017 0.554 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.782 -0.910 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.435 0.810 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.752 -0.202 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.317 -1.699 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.196 -1.017 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.364 -0.555 -0.775 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.418 4.424 -0.306 1.00 0.00 N ATOM 1090 CA ILE A 69 0.418 5.527 0.148 1.00 0.00 C ATOM 1091 C ILE A 69 0.138 5.863 1.610 1.00 0.00 C ATOM 1092 O ILE A 69 1.061 6.118 2.386 1.00 0.00 O ATOM 1093 CB ILE A 69 0.203 6.795 -0.710 1.00 0.00 C ATOM 1094 CG1 ILE A 69 0.334 6.472 -2.203 1.00 0.00 C ATOM 1095 CG2 ILE A 69 1.196 7.880 -0.315 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.701 5.957 -2.605 1.00 0.00 C ATOM 0 H ILE A 69 -1.299 4.709 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 69 1.453 5.200 0.043 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.807 7.162 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.416 5.728 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.112 7.370 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.031 8.765 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.057 8.135 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.212 7.517 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.712 5.752 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.456 6.708 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.920 5.040 -2.058 1.00 0.00 H new