USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 428 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 23 ASN : amide:sc= -1.97 K(o=-16,f=-20!) USER MOD Set 1.2: A 26 GLN : amide:sc= -3.05 K(o=-16,f=-27!) USER MOD Set 1.3: A 55 GLN : amide:sc= -10.8! C(o=-16!,f=-22!) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.171 K(o=-3.8,f=-7) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.94! C(o=-3.8!,f=-12!) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.124 K(o=-0.05,f=-1.8) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.074 K(o=-0.05,f=-1.8!) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.152) USER MOD Single : A 6 ASN : amide:sc= -0.0935 K(o=-0.093,f=-2.5) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.95 (180deg=-2.34!) USER MOD Single : A 17 MET CE :methyl 175:sc= -10.1! (180deg=-10.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.449 K(o=-0.45,f=-4.9!) USER MOD Single : A 33 SER OG : rot 66:sc= 0.669 USER MOD Single : A 39 SER OG : rot -54:sc= 1.23 USER MOD Single : A 41 SER OG : rot -76:sc= -0.451 USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= -2.68! (180deg=-3.29!) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.0493 (180deg=-0.411) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 0.766 -12.510 9.313 1.00 0.00 N ATOM 46 CA LYS A 4 1.055 -12.531 7.876 1.00 0.00 C ATOM 47 C LYS A 4 0.645 -11.214 7.277 1.00 0.00 C ATOM 48 O LYS A 4 1.362 -10.634 6.466 1.00 0.00 O ATOM 49 CB LYS A 4 0.273 -13.629 7.168 1.00 0.00 C ATOM 50 CG LYS A 4 0.532 -14.988 7.834 1.00 0.00 C ATOM 51 CD LYS A 4 -0.149 -16.099 7.024 1.00 0.00 C ATOM 52 CE LYS A 4 0.008 -17.443 7.746 1.00 0.00 C ATOM 53 NZ LYS A 4 1.439 -17.865 7.707 1.00 0.00 N ATOM 0 HA LYS A 4 2.122 -12.714 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.792 -13.401 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.563 -13.671 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.604 -15.175 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.150 -14.982 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.206 -15.869 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.291 -16.157 6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.328 -17.354 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.618 -18.198 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.517 -18.857 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.803 -17.770 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.996 -17.263 8.346 1.00 0.00 H new ATOM 67 N PHE A 5 -0.515 -10.744 7.713 1.00 0.00 N ATOM 68 CA PHE A 5 -1.043 -9.484 7.248 1.00 0.00 C ATOM 69 C PHE A 5 -0.081 -8.373 7.564 1.00 0.00 C ATOM 70 O PHE A 5 0.331 -7.635 6.685 1.00 0.00 O ATOM 71 CB PHE A 5 -2.322 -9.153 7.998 1.00 0.00 C ATOM 72 CG PHE A 5 -3.525 -9.798 7.374 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.492 -11.144 6.979 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.690 -9.038 7.214 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.642 -11.719 6.414 1.00 0.00 C ATOM 76 CE2 PHE A 5 -5.826 -9.609 6.652 1.00 0.00 C ATOM 77 CZ PHE A 5 -5.807 -10.943 6.252 1.00 0.00 C ATOM 0 H PHE A 5 -1.106 -11.224 8.392 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.214 -9.572 6.175 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.230 -9.482 9.033 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.460 -8.072 8.019 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.594 -11.730 7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.706 -8.005 7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.633 -12.754 6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.722 -9.019 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.690 -11.385 5.815 1.00 0.00 H new ATOM 87 N ASN A 6 0.250 -8.254 8.847 1.00 0.00 N ATOM 88 CA ASN A 6 1.137 -7.199 9.285 1.00 0.00 C ATOM 89 C ASN A 6 2.428 -7.246 8.508 1.00 0.00 C ATOM 90 O ASN A 6 2.854 -6.238 7.985 1.00 0.00 O ATOM 91 CB ASN A 6 1.452 -7.362 10.764 1.00 0.00 C ATOM 92 CG ASN A 6 0.171 -7.349 11.598 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.778 -6.630 11.279 1.00 0.00 O ATOM 94 ND2 ASN A 6 0.089 -8.103 12.659 1.00 0.00 N ATOM 0 H ASN A 6 -0.082 -8.871 9.588 1.00 0.00 H new ATOM 0 HA ASN A 6 0.641 -6.243 9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.986 -8.298 10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.112 -6.558 11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.760 -8.097 13.224 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.874 -8.698 12.924 1.00 0.00 H new ATOM 101 N LYS A 7 3.022 -8.428 8.398 1.00 0.00 N ATOM 102 CA LYS A 7 4.257 -8.573 7.653 1.00 0.00 C ATOM 103 C LYS A 7 4.072 -8.149 6.208 1.00 0.00 C ATOM 104 O LYS A 7 4.890 -7.405 5.673 1.00 0.00 O ATOM 105 CB LYS A 7 4.739 -10.023 7.723 1.00 0.00 C ATOM 106 CG LYS A 7 5.949 -10.251 6.796 1.00 0.00 C ATOM 107 CD LYS A 7 7.099 -9.301 7.165 1.00 0.00 C ATOM 108 CE LYS A 7 7.514 -9.510 8.626 1.00 0.00 C ATOM 109 NZ LYS A 7 6.924 -8.438 9.480 1.00 0.00 N ATOM 0 H LYS A 7 2.669 -9.290 8.813 1.00 0.00 H new ATOM 0 HA LYS A 7 5.009 -7.924 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.012 -10.270 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.928 -10.693 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.285 -11.285 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.655 -10.089 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.951 -9.479 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.789 -8.267 7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.179 -10.488 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.601 -9.497 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.506 -8.314 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.897 -7.545 8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.958 -8.706 9.756 1.00 0.00 H new ATOM 123 N GLU A 8 2.990 -8.605 5.584 1.00 0.00 N ATOM 124 CA GLU A 8 2.737 -8.241 4.200 1.00 0.00 C ATOM 125 C GLU A 8 2.469 -6.746 4.111 1.00 0.00 C ATOM 126 O GLU A 8 2.859 -6.082 3.152 1.00 0.00 O ATOM 127 CB GLU A 8 1.518 -9.025 3.698 1.00 0.00 C ATOM 128 CG GLU A 8 1.771 -9.567 2.288 1.00 0.00 C ATOM 129 CD GLU A 8 2.820 -10.689 2.305 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.881 -11.424 3.282 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.541 -10.805 1.327 1.00 0.00 O ATOM 0 H GLU A 8 2.289 -9.214 6.006 1.00 0.00 H new ATOM 0 HA GLU A 8 3.603 -8.481 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.304 -9.850 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.640 -8.379 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.839 -9.943 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.110 -8.759 1.640 1.00 0.00 H new ATOM 138 N ARG A 9 1.788 -6.250 5.137 1.00 0.00 N ATOM 139 CA ARG A 9 1.416 -4.857 5.245 1.00 0.00 C ATOM 140 C ARG A 9 2.577 -3.955 5.627 1.00 0.00 C ATOM 141 O ARG A 9 2.608 -2.831 5.195 1.00 0.00 O ATOM 142 CB ARG A 9 0.281 -4.696 6.264 1.00 0.00 C ATOM 143 CG ARG A 9 -1.015 -5.262 5.672 1.00 0.00 C ATOM 144 CD ARG A 9 -2.170 -5.113 6.662 1.00 0.00 C ATOM 145 NE ARG A 9 -1.826 -5.731 7.940 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.463 -5.409 9.058 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.076 -4.376 9.752 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.472 -6.125 9.464 1.00 0.00 N ATOM 0 H ARG A 9 1.477 -6.818 5.925 1.00 0.00 H new ATOM 0 HA ARG A 9 1.084 -4.545 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.530 -5.217 7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.150 -3.644 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.255 -4.742 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.877 -6.314 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.397 -4.057 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.068 -5.578 6.256 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.080 -6.425 7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.284 -3.816 9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.565 -4.127 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.774 -6.935 8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.961 -5.876 10.324 1.00 0.00 H new ATOM 162 N VAL A 10 3.509 -4.437 6.448 1.00 0.00 N ATOM 163 CA VAL A 10 4.646 -3.604 6.881 1.00 0.00 C ATOM 164 C VAL A 10 5.457 -3.248 5.675 1.00 0.00 C ATOM 165 O VAL A 10 5.834 -2.100 5.434 1.00 0.00 O ATOM 166 CB VAL A 10 5.617 -4.334 7.837 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.699 -3.342 8.311 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.899 -4.923 9.055 1.00 0.00 C ATOM 0 H VAL A 10 3.507 -5.384 6.826 1.00 0.00 H new ATOM 0 HA VAL A 10 4.217 -2.745 7.398 1.00 0.00 H new ATOM 0 HB VAL A 10 6.065 -5.162 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.388 -3.850 8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.248 -2.964 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.226 -2.510 8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.623 -5.425 9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.414 -4.123 9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.149 -5.641 8.723 1.00 0.00 H new ATOM 178 N ILE A 11 5.732 -4.292 4.942 1.00 0.00 N ATOM 179 CA ILE A 11 6.509 -4.209 3.753 1.00 0.00 C ATOM 180 C ILE A 11 5.815 -3.313 2.746 1.00 0.00 C ATOM 181 O ILE A 11 6.422 -2.417 2.175 1.00 0.00 O ATOM 182 CB ILE A 11 6.638 -5.632 3.212 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.376 -6.505 4.250 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.389 -5.628 1.885 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.248 -7.984 3.868 1.00 0.00 C ATOM 0 H ILE A 11 5.414 -5.235 5.164 1.00 0.00 H new ATOM 0 HA ILE A 11 7.493 -3.782 3.948 1.00 0.00 H new ATOM 0 HB ILE A 11 5.645 -6.045 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.427 -6.221 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.957 -6.339 5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.473 -6.649 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.846 -5.020 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.386 -5.212 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.770 -8.596 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.195 -8.264 3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.688 -8.145 2.884 1.00 0.00 H new ATOM 197 N ALA A 12 4.537 -3.586 2.549 1.00 0.00 N ATOM 198 CA ALA A 12 3.720 -2.848 1.603 1.00 0.00 C ATOM 199 C ALA A 12 3.368 -1.442 2.068 1.00 0.00 C ATOM 200 O ALA A 12 3.511 -0.491 1.307 1.00 0.00 O ATOM 201 CB ALA A 12 2.452 -3.626 1.397 1.00 0.00 C ATOM 0 H ALA A 12 4.037 -4.326 3.041 1.00 0.00 H new ATOM 0 HA ALA A 12 4.295 -2.733 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.812 -3.098 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.691 -4.614 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.931 -3.731 2.349 1.00 0.00 H new ATOM 207 N ILE A 13 2.912 -1.305 3.313 1.00 0.00 N ATOM 208 CA ILE A 13 2.563 -0.002 3.839 1.00 0.00 C ATOM 209 C ILE A 13 3.799 0.862 3.803 1.00 0.00 C ATOM 210 O ILE A 13 3.742 2.044 3.511 1.00 0.00 O ATOM 211 CB ILE A 13 2.049 -0.106 5.289 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.397 1.231 5.678 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.216 -0.437 6.252 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.717 1.594 7.127 1.00 0.00 C ATOM 0 H ILE A 13 2.779 -2.078 3.965 1.00 0.00 H new ATOM 0 HA ILE A 13 1.767 0.430 3.233 1.00 0.00 H new ATOM 0 HB ILE A 13 1.314 -0.908 5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.752 2.020 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.317 1.165 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.837 -0.507 7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.666 -1.388 5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.967 0.351 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.244 2.544 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.339 0.815 7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.796 1.683 7.250 1.00 0.00 H new ATOM 226 N GLY A 14 4.922 0.225 4.092 1.00 0.00 N ATOM 227 CA GLY A 14 6.188 0.889 4.095 1.00 0.00 C ATOM 228 C GLY A 14 6.504 1.355 2.687 1.00 0.00 C ATOM 229 O GLY A 14 6.995 2.470 2.498 1.00 0.00 O ATOM 0 H GLY A 14 4.968 -0.766 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.166 1.739 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.966 0.214 4.452 1.00 0.00 H new ATOM 233 N GLU A 15 6.190 0.509 1.685 1.00 0.00 N ATOM 234 CA GLU A 15 6.426 0.884 0.315 1.00 0.00 C ATOM 235 C GLU A 15 5.479 2.002 -0.094 1.00 0.00 C ATOM 236 O GLU A 15 5.864 2.956 -0.765 1.00 0.00 O ATOM 237 CB GLU A 15 6.133 -0.309 -0.582 1.00 0.00 C ATOM 238 CG GLU A 15 7.094 -1.471 -0.296 1.00 0.00 C ATOM 239 CD GLU A 15 8.066 -1.673 -1.460 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.764 -0.730 -1.798 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.098 -2.768 -1.997 1.00 0.00 O ATOM 0 H GLU A 15 5.781 -0.416 1.815 1.00 0.00 H new ATOM 0 HA GLU A 15 7.461 1.211 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.105 -0.638 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.220 -0.011 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.652 -1.270 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.526 -2.386 -0.128 1.00 0.00 H new ATOM 248 N ILE A 16 4.222 1.822 0.291 1.00 0.00 N ATOM 249 CA ILE A 16 3.152 2.750 -0.038 1.00 0.00 C ATOM 250 C ILE A 16 3.270 4.089 0.683 1.00 0.00 C ATOM 251 O ILE A 16 3.056 5.146 0.085 1.00 0.00 O ATOM 252 CB ILE A 16 1.824 2.031 0.223 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.750 0.925 -0.832 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.605 2.972 0.111 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.541 0.028 -0.632 1.00 0.00 C ATOM 0 H ILE A 16 3.916 1.022 0.844 1.00 0.00 H new ATOM 0 HA ILE A 16 3.217 3.028 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 16 1.793 1.642 1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.709 1.373 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.658 0.324 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.308 2.409 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.698 3.776 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.563 3.396 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.528 -0.743 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.595 -0.442 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.369 0.624 -0.700 1.00 0.00 H new ATOM 267 N MET A 17 3.620 4.040 1.953 1.00 0.00 N ATOM 268 CA MET A 17 3.781 5.250 2.748 1.00 0.00 C ATOM 269 C MET A 17 4.949 6.086 2.209 1.00 0.00 C ATOM 270 O MET A 17 4.984 7.305 2.382 1.00 0.00 O ATOM 271 CB MET A 17 3.993 4.872 4.222 1.00 0.00 C ATOM 272 CG MET A 17 2.658 4.395 4.817 1.00 0.00 C ATOM 273 SD MET A 17 1.479 5.762 4.931 1.00 0.00 S ATOM 274 CE MET A 17 -0.027 4.758 4.778 1.00 0.00 C ATOM 0 H MET A 17 3.800 3.174 2.462 1.00 0.00 H new ATOM 0 HA MET A 17 2.879 5.858 2.677 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.743 4.086 4.304 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.368 5.730 4.780 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.242 3.601 4.197 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.827 3.971 5.807 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.903 5.393 4.911 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.059 4.298 3.790 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.024 3.979 5.541 1.00 0.00 H new ATOM 284 N ARG A 18 5.890 5.411 1.538 1.00 0.00 N ATOM 285 CA ARG A 18 7.052 6.063 0.947 1.00 0.00 C ATOM 286 C ARG A 18 6.649 6.890 -0.278 1.00 0.00 C ATOM 287 O ARG A 18 7.251 7.925 -0.567 1.00 0.00 O ATOM 288 CB ARG A 18 8.053 4.975 0.539 1.00 0.00 C ATOM 289 CG ARG A 18 9.310 5.584 -0.089 1.00 0.00 C ATOM 290 CD ARG A 18 10.148 4.464 -0.706 1.00 0.00 C ATOM 291 NE ARG A 18 10.591 3.523 0.324 1.00 0.00 N ATOM 292 CZ ARG A 18 10.096 2.290 0.395 1.00 0.00 C ATOM 293 NH1 ARG A 18 10.197 1.485 -0.623 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.508 1.888 1.485 1.00 0.00 N ATOM 0 H ARG A 18 5.863 4.402 1.393 1.00 0.00 H new ATOM 0 HA ARG A 18 7.500 6.741 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.329 4.386 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.583 4.293 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.035 6.313 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.889 6.116 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.562 3.937 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.014 4.888 -1.215 1.00 0.00 H new ATOM 0 HE ARG A 18 11.294 3.819 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.657 1.799 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.817 0.540 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.427 2.518 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.128 0.943 1.541 1.00 0.00 H new ATOM 308 N LEU A 19 5.648 6.387 -1.004 1.00 0.00 N ATOM 309 CA LEU A 19 5.161 7.020 -2.232 1.00 0.00 C ATOM 310 C LEU A 19 4.897 8.524 -2.067 1.00 0.00 C ATOM 311 O LEU A 19 3.924 8.923 -1.426 1.00 0.00 O ATOM 312 CB LEU A 19 3.883 6.315 -2.684 1.00 0.00 C ATOM 313 CG LEU A 19 4.132 4.801 -2.727 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.873 4.068 -3.171 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.281 4.491 -3.689 1.00 0.00 C ATOM 0 H LEU A 19 5.153 5.530 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 19 5.943 6.921 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.066 6.542 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.583 6.675 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 19 4.399 4.462 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.066 2.996 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.065 4.275 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.585 4.408 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.453 3.415 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.024 4.842 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.186 4.995 -3.349 1.00 0.00 H new ATOM 327 N PRO A 20 5.746 9.356 -2.647 1.00 0.00 N ATOM 328 CA PRO A 20 5.606 10.842 -2.579 1.00 0.00 C ATOM 329 C PRO A 20 4.565 11.376 -3.568 1.00 0.00 C ATOM 330 O PRO A 20 4.156 12.536 -3.476 1.00 0.00 O ATOM 331 CB PRO A 20 7.001 11.373 -2.965 1.00 0.00 C ATOM 332 CG PRO A 20 7.861 10.179 -3.260 1.00 0.00 C ATOM 333 CD PRO A 20 6.935 8.983 -3.426 1.00 0.00 C ATOM 0 HA PRO A 20 5.271 11.158 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.937 12.026 -3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.427 11.963 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.445 10.341 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.570 10.007 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.689 8.808 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.391 8.068 -3.049 1.00 0.00 H new ATOM 341 N ASN A 21 4.176 10.537 -4.534 1.00 0.00 N ATOM 342 CA ASN A 21 3.221 10.951 -5.568 1.00 0.00 C ATOM 343 C ASN A 21 1.787 10.519 -5.251 1.00 0.00 C ATOM 344 O ASN A 21 0.962 10.339 -6.150 1.00 0.00 O ATOM 345 CB ASN A 21 3.676 10.395 -6.915 1.00 0.00 C ATOM 346 CG ASN A 21 4.815 11.250 -7.473 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.730 12.478 -7.473 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.877 10.675 -7.953 1.00 0.00 N ATOM 0 H ASN A 21 4.504 9.575 -4.622 1.00 0.00 H new ATOM 0 HA ASN A 21 3.207 12.040 -5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.007 9.363 -6.799 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.841 10.385 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.638 11.241 -8.329 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.950 9.658 -7.954 1.00 0.00 H new ATOM 355 N LEU A 22 1.502 10.379 -3.967 1.00 0.00 N ATOM 356 CA LEU A 22 0.174 10.002 -3.501 1.00 0.00 C ATOM 357 C LEU A 22 -0.219 10.868 -2.326 1.00 0.00 C ATOM 358 O LEU A 22 0.626 11.199 -1.489 1.00 0.00 O ATOM 359 CB LEU A 22 0.160 8.544 -3.045 1.00 0.00 C ATOM 360 CG LEU A 22 0.370 7.622 -4.240 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.868 6.264 -3.758 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.953 7.437 -4.973 1.00 0.00 C ATOM 0 H LEU A 22 2.181 10.522 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.526 10.136 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.943 8.378 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.789 8.315 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 22 1.107 8.063 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.017 5.606 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.812 6.390 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.131 5.824 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.806 6.778 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.685 6.996 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.316 8.405 -5.319 1.00 0.00 H new ATOM 374 N ASN A 23 -1.507 11.171 -2.216 1.00 0.00 N ATOM 375 CA ASN A 23 -1.977 11.930 -1.071 1.00 0.00 C ATOM 376 C ASN A 23 -2.216 10.921 0.027 1.00 0.00 C ATOM 377 O ASN A 23 -2.307 9.720 -0.250 1.00 0.00 O ATOM 378 CB ASN A 23 -3.248 12.734 -1.387 1.00 0.00 C ATOM 379 CG ASN A 23 -4.129 11.999 -2.387 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.800 11.034 -2.029 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.161 12.400 -3.630 1.00 0.00 N ATOM 0 H ASN A 23 -2.227 10.909 -2.889 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.239 12.675 -0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.807 12.912 -0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.974 13.710 -1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.745 11.911 -4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.602 13.202 -3.922 1.00 0.00 H new ATOM 388 N SER A 24 -2.281 11.377 1.263 1.00 0.00 N ATOM 389 CA SER A 24 -2.462 10.452 2.367 1.00 0.00 C ATOM 390 C SER A 24 -3.625 9.514 2.118 1.00 0.00 C ATOM 391 O SER A 24 -3.566 8.364 2.484 1.00 0.00 O ATOM 392 CB SER A 24 -2.695 11.197 3.666 1.00 0.00 C ATOM 393 OG SER A 24 -3.839 12.033 3.542 1.00 0.00 O ATOM 0 H SER A 24 -2.213 12.360 1.526 1.00 0.00 H new ATOM 0 HA SER A 24 -1.546 9.866 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.837 10.488 4.482 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.820 11.797 3.914 1.00 0.00 H new ATOM 0 HG SER A 24 -3.987 12.512 4.384 1.00 0.00 H new ATOM 399 N LEU A 25 -4.675 10.008 1.488 1.00 0.00 N ATOM 400 CA LEU A 25 -5.837 9.179 1.216 1.00 0.00 C ATOM 401 C LEU A 25 -5.484 8.014 0.333 1.00 0.00 C ATOM 402 O LEU A 25 -5.834 6.895 0.650 1.00 0.00 O ATOM 403 CB LEU A 25 -6.899 9.992 0.510 1.00 0.00 C ATOM 404 CG LEU A 25 -7.236 11.260 1.301 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.249 12.392 0.977 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.631 11.701 0.894 1.00 0.00 C ATOM 0 H LEU A 25 -4.748 10.970 1.157 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.204 8.811 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.552 10.263 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.798 9.389 0.382 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.176 11.046 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.512 13.280 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.238 12.078 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.296 12.622 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.901 12.604 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.650 11.906 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.344 10.910 1.125 1.00 0.00 H new ATOM 418 N GLN A 26 -4.780 8.281 -0.760 1.00 0.00 N ATOM 419 CA GLN A 26 -4.374 7.224 -1.659 1.00 0.00 C ATOM 420 C GLN A 26 -3.421 6.306 -0.946 1.00 0.00 C ATOM 421 O GLN A 26 -3.548 5.091 -0.989 1.00 0.00 O ATOM 422 CB GLN A 26 -3.687 7.820 -2.848 1.00 0.00 C ATOM 423 CG GLN A 26 -4.744 8.509 -3.708 1.00 0.00 C ATOM 424 CD GLN A 26 -4.122 9.524 -4.648 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.049 10.064 -4.380 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.751 9.817 -5.741 1.00 0.00 N ATOM 0 H GLN A 26 -4.483 9.216 -1.039 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.251 6.664 -1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.928 8.536 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.176 7.046 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.288 7.762 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.471 9.005 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.640 9.364 -5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.358 10.500 -6.388 1.00 0.00 H new ATOM 435 N VAL A 27 -2.495 6.936 -0.246 1.00 0.00 N ATOM 436 CA VAL A 27 -1.507 6.236 0.536 1.00 0.00 C ATOM 437 C VAL A 27 -2.227 5.344 1.536 1.00 0.00 C ATOM 438 O VAL A 27 -1.884 4.178 1.727 1.00 0.00 O ATOM 439 CB VAL A 27 -0.667 7.308 1.261 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.106 6.732 2.440 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.325 7.945 0.283 1.00 0.00 C ATOM 0 H VAL A 27 -2.412 7.952 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.860 5.611 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.362 8.056 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.682 7.524 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.593 6.306 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.783 5.954 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.914 8.701 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.989 7.177 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.221 8.411 -0.537 1.00 0.00 H new ATOM 451 N VAL A 28 -3.246 5.924 2.142 1.00 0.00 N ATOM 452 CA VAL A 28 -4.080 5.225 3.111 1.00 0.00 C ATOM 453 C VAL A 28 -4.982 4.218 2.437 1.00 0.00 C ATOM 454 O VAL A 28 -5.279 3.156 2.982 1.00 0.00 O ATOM 455 CB VAL A 28 -4.854 6.199 3.976 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.682 5.406 4.992 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.829 7.057 4.719 1.00 0.00 C ATOM 0 H VAL A 28 -3.522 6.892 1.979 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.422 4.665 3.775 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.519 6.821 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.244 6.096 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.374 4.750 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.017 4.807 5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.348 7.774 5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.196 6.417 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.211 7.592 3.998 1.00 0.00 H new ATOM 467 N ALA A 29 -5.420 4.584 1.247 1.00 0.00 N ATOM 468 CA ALA A 29 -6.295 3.756 0.456 1.00 0.00 C ATOM 469 C ALA A 29 -5.659 2.415 0.311 1.00 0.00 C ATOM 470 O ALA A 29 -6.317 1.375 0.356 1.00 0.00 O ATOM 471 CB ALA A 29 -6.415 4.362 -0.924 1.00 0.00 C ATOM 0 H ALA A 29 -5.174 5.470 0.804 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.274 3.678 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.075 3.746 -1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.827 5.368 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.430 4.409 -1.388 1.00 0.00 H new ATOM 477 N PHE A 30 -4.351 2.463 0.165 1.00 0.00 N ATOM 478 CA PHE A 30 -3.595 1.285 0.050 1.00 0.00 C ATOM 479 C PHE A 30 -3.537 0.589 1.361 1.00 0.00 C ATOM 480 O PHE A 30 -3.654 -0.624 1.383 1.00 0.00 O ATOM 481 CB PHE A 30 -2.214 1.613 -0.413 1.00 0.00 C ATOM 482 CG PHE A 30 -2.280 1.833 -1.881 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.523 0.749 -2.719 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.131 3.110 -2.403 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.625 0.947 -4.083 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.233 3.317 -3.759 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.488 2.233 -4.616 1.00 0.00 C ATOM 0 H PHE A 30 -3.808 3.325 0.126 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.069 0.628 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.841 2.504 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.527 0.801 -0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.631 -0.243 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.935 3.943 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.811 0.108 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.117 4.311 -4.164 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.578 2.392 -5.680 1.00 0.00 H new ATOM 497 N ILE A 31 -3.403 1.351 2.466 1.00 0.00 N ATOM 498 CA ILE A 31 -3.368 0.692 3.766 1.00 0.00 C ATOM 499 C ILE A 31 -4.627 -0.143 3.870 1.00 0.00 C ATOM 500 O ILE A 31 -4.629 -1.261 4.390 1.00 0.00 O ATOM 501 CB ILE A 31 -3.416 1.672 4.947 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.256 2.657 4.915 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.349 0.880 6.265 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.482 3.702 6.017 1.00 0.00 C ATOM 0 H ILE A 31 -3.322 2.368 2.479 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.438 0.127 3.822 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.347 2.234 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.311 2.137 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.195 3.140 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.383 1.571 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.196 0.197 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.420 0.310 6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.661 4.419 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.421 4.224 5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.524 3.205 6.986 1.00 0.00 H new ATOM 516 N ASN A 32 -5.701 0.447 3.353 1.00 0.00 N ATOM 517 CA ASN A 32 -7.000 -0.186 3.361 1.00 0.00 C ATOM 518 C ASN A 32 -7.054 -1.395 2.436 1.00 0.00 C ATOM 519 O ASN A 32 -7.614 -2.424 2.802 1.00 0.00 O ATOM 520 CB ASN A 32 -8.049 0.848 2.949 1.00 0.00 C ATOM 521 CG ASN A 32 -8.501 1.650 4.165 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.200 1.127 5.033 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.134 2.896 4.282 1.00 0.00 N ATOM 0 H ASN A 32 -5.688 1.371 2.921 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.203 -0.552 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.634 1.518 2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.905 0.348 2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.426 3.440 5.094 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.555 3.327 3.561 1.00 0.00 H new ATOM 530 N SER A 33 -6.482 -1.274 1.244 1.00 0.00 N ATOM 531 CA SER A 33 -6.500 -2.372 0.301 1.00 0.00 C ATOM 532 C SER A 33 -5.746 -3.582 0.849 1.00 0.00 C ATOM 533 O SER A 33 -6.144 -4.723 0.613 1.00 0.00 O ATOM 534 CB SER A 33 -5.887 -1.922 -1.016 1.00 0.00 C ATOM 535 OG SER A 33 -6.458 -0.680 -1.406 1.00 0.00 O ATOM 0 H SER A 33 -6.006 -0.434 0.915 1.00 0.00 H new ATOM 0 HA SER A 33 -7.535 -2.671 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.807 -1.820 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.063 -2.673 -1.786 1.00 0.00 H new ATOM 0 HG SER A 33 -6.206 0.013 -0.760 1.00 0.00 H new ATOM 541 N LEU A 34 -4.648 -3.328 1.570 1.00 0.00 N ATOM 542 CA LEU A 34 -3.843 -4.436 2.132 1.00 0.00 C ATOM 543 C LEU A 34 -4.698 -5.314 3.047 1.00 0.00 C ATOM 544 O LEU A 34 -4.636 -6.534 2.981 1.00 0.00 O ATOM 545 CB LEU A 34 -2.632 -3.972 2.969 1.00 0.00 C ATOM 546 CG LEU A 34 -2.005 -2.672 2.461 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.677 -2.421 3.171 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.732 -2.733 0.960 1.00 0.00 C ATOM 0 H LEU A 34 -4.297 -2.393 1.778 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.479 -4.980 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.946 -3.835 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.876 -4.757 2.966 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.713 -1.869 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.237 -1.494 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.848 -2.341 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.004 -3.249 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.287 -1.793 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.046 -3.553 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.668 -2.896 0.426 1.00 0.00 H new ATOM 560 N ARG A 35 -5.484 -4.680 3.911 1.00 0.00 N ATOM 561 CA ARG A 35 -6.342 -5.417 4.841 1.00 0.00 C ATOM 562 C ARG A 35 -7.486 -6.062 4.075 1.00 0.00 C ATOM 563 O ARG A 35 -7.914 -7.174 4.394 1.00 0.00 O ATOM 564 CB ARG A 35 -6.829 -4.476 5.959 1.00 0.00 C ATOM 565 CG ARG A 35 -8.194 -3.846 5.639 1.00 0.00 C ATOM 566 CD ARG A 35 -8.389 -2.591 6.505 1.00 0.00 C ATOM 567 NE ARG A 35 -9.771 -2.104 6.432 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.444 -2.064 5.284 1.00 0.00 C ATOM 569 NH1 ARG A 35 -9.920 -1.495 4.237 1.00 0.00 N ATOM 570 NH2 ARG A 35 -11.630 -2.591 5.210 1.00 0.00 N ATOM 0 H ARG A 35 -5.547 -3.665 3.989 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.781 -6.219 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.898 -5.032 6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.094 -3.686 6.112 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.248 -3.585 4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.992 -4.563 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.135 -2.818 7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.707 -1.808 6.174 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.230 -1.787 7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.991 -1.078 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.438 -1.466 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.043 -3.034 6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.147 -2.561 4.331 1.00 0.00 H new ATOM 584 N ASP A 36 -7.938 -5.370 3.029 1.00 0.00 N ATOM 585 CA ASP A 36 -8.988 -5.883 2.170 1.00 0.00 C ATOM 586 C ASP A 36 -8.443 -7.087 1.415 1.00 0.00 C ATOM 587 O ASP A 36 -9.201 -7.944 0.952 1.00 0.00 O ATOM 588 CB ASP A 36 -9.435 -4.790 1.181 1.00 0.00 C ATOM 589 CG ASP A 36 -10.167 -3.654 1.906 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.866 -3.930 2.868 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.030 -2.520 1.475 1.00 0.00 O ATOM 0 H ASP A 36 -7.587 -4.450 2.761 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.851 -6.180 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.566 -4.391 0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.090 -5.225 0.426 1.00 0.00 H new ATOM 596 N ASP A 37 -7.109 -7.132 1.303 1.00 0.00 N ATOM 597 CA ASP A 37 -6.427 -8.217 0.606 1.00 0.00 C ATOM 598 C ASP A 37 -4.901 -8.117 0.797 1.00 0.00 C ATOM 599 O ASP A 37 -4.224 -7.394 0.060 1.00 0.00 O ATOM 600 CB ASP A 37 -6.765 -8.153 -0.887 1.00 0.00 C ATOM 601 CG ASP A 37 -6.473 -9.498 -1.559 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.460 -10.098 -1.235 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.267 -9.908 -2.389 1.00 0.00 O ATOM 0 H ASP A 37 -6.484 -6.425 1.689 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.764 -9.166 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.816 -7.895 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.181 -7.366 -1.365 1.00 0.00 H new ATOM 608 N PRO A 38 -4.349 -8.817 1.771 1.00 0.00 N ATOM 609 CA PRO A 38 -2.882 -8.791 2.046 1.00 0.00 C ATOM 610 C PRO A 38 -2.083 -9.524 0.975 1.00 0.00 C ATOM 611 O PRO A 38 -0.966 -9.126 0.651 1.00 0.00 O ATOM 612 CB PRO A 38 -2.715 -9.480 3.404 1.00 0.00 C ATOM 613 CG PRO A 38 -4.079 -9.873 3.865 1.00 0.00 C ATOM 614 CD PRO A 38 -5.053 -9.703 2.700 1.00 0.00 C ATOM 0 HA PRO A 38 -2.505 -7.768 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.071 -10.355 3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.244 -8.808 4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.079 -10.907 4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.386 -9.255 4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.290 -10.660 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.996 -9.267 3.029 1.00 0.00 H new ATOM 622 N SER A 39 -2.669 -10.586 0.415 1.00 0.00 N ATOM 623 CA SER A 39 -1.996 -11.342 -0.635 1.00 0.00 C ATOM 624 C SER A 39 -1.789 -10.427 -1.828 1.00 0.00 C ATOM 625 O SER A 39 -0.843 -10.588 -2.602 1.00 0.00 O ATOM 626 CB SER A 39 -2.816 -12.576 -1.037 1.00 0.00 C ATOM 627 OG SER A 39 -3.917 -12.187 -1.848 1.00 0.00 O ATOM 0 H SER A 39 -3.593 -10.935 0.669 1.00 0.00 H new ATOM 0 HA SER A 39 -1.033 -11.698 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.186 -13.280 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.175 -13.090 -0.145 1.00 0.00 H new ATOM 0 HG SER A 39 -4.438 -11.498 -1.384 1.00 0.00 H new ATOM 633 N GLN A 40 -2.685 -9.444 -1.939 1.00 0.00 N ATOM 634 CA GLN A 40 -2.616 -8.466 -3.005 1.00 0.00 C ATOM 635 C GLN A 40 -1.914 -7.201 -2.530 1.00 0.00 C ATOM 636 O GLN A 40 -1.829 -6.237 -3.276 1.00 0.00 O ATOM 637 CB GLN A 40 -4.020 -8.132 -3.521 1.00 0.00 C ATOM 638 CG GLN A 40 -4.626 -9.364 -4.203 1.00 0.00 C ATOM 639 CD GLN A 40 -3.859 -9.696 -5.482 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.796 -8.880 -6.402 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.261 -10.851 -5.591 1.00 0.00 N ATOM 0 H GLN A 40 -3.466 -9.312 -1.297 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.038 -8.895 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.655 -7.812 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.971 -7.302 -4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.597 -10.215 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.674 -9.179 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.314 -11.526 -4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.741 -11.078 -6.439 1.00 0.00 H new ATOM 650 N SER A 41 -1.374 -7.213 -1.302 1.00 0.00 N ATOM 651 CA SER A 41 -0.649 -6.045 -0.795 1.00 0.00 C ATOM 652 C SER A 41 0.469 -5.753 -1.778 1.00 0.00 C ATOM 653 O SER A 41 0.768 -4.614 -2.068 1.00 0.00 O ATOM 654 CB SER A 41 -0.064 -6.315 0.602 1.00 0.00 C ATOM 655 OG SER A 41 1.002 -7.243 0.490 1.00 0.00 O ATOM 0 H SER A 41 -1.425 -8.001 -0.656 1.00 0.00 H new ATOM 0 HA SER A 41 -1.326 -5.196 -0.702 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.292 -5.385 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.836 -6.708 1.263 1.00 0.00 H new ATOM 0 HG SER A 41 0.639 -8.143 0.353 1.00 0.00 H new ATOM 661 N ALA A 42 1.031 -6.828 -2.322 1.00 0.00 N ATOM 662 CA ALA A 42 2.078 -6.747 -3.313 1.00 0.00 C ATOM 663 C ALA A 42 1.569 -6.027 -4.558 1.00 0.00 C ATOM 664 O ALA A 42 2.270 -5.219 -5.150 1.00 0.00 O ATOM 665 CB ALA A 42 2.514 -8.157 -3.700 1.00 0.00 C ATOM 0 H ALA A 42 0.765 -7.783 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 42 2.919 -6.194 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.305 -8.101 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.886 -8.678 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.663 -8.701 -4.111 1.00 0.00 H new ATOM 671 N ASN A 43 0.328 -6.332 -4.930 1.00 0.00 N ATOM 672 CA ASN A 43 -0.319 -5.724 -6.076 1.00 0.00 C ATOM 673 C ASN A 43 -0.686 -4.296 -5.768 1.00 0.00 C ATOM 674 O ASN A 43 -0.661 -3.431 -6.623 1.00 0.00 O ATOM 675 CB ASN A 43 -1.601 -6.473 -6.342 1.00 0.00 C ATOM 676 CG ASN A 43 -2.165 -6.155 -7.725 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.456 -5.659 -8.602 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.414 -6.415 -7.965 1.00 0.00 N ATOM 0 H ASN A 43 -0.254 -7.011 -4.439 1.00 0.00 H new ATOM 0 HA ASN A 43 0.357 -5.758 -6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.420 -7.545 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.337 -6.216 -5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.811 -6.209 -8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.998 -6.826 -7.237 1.00 0.00 H new ATOM 685 N LEU A 44 -1.099 -4.114 -4.531 1.00 0.00 N ATOM 686 CA LEU A 44 -1.556 -2.834 -4.032 1.00 0.00 C ATOM 687 C LEU A 44 -0.427 -1.877 -3.858 1.00 0.00 C ATOM 688 O LEU A 44 -0.468 -0.752 -4.327 1.00 0.00 O ATOM 689 CB LEU A 44 -2.249 -3.087 -2.713 1.00 0.00 C ATOM 690 CG LEU A 44 -3.535 -3.824 -3.028 1.00 0.00 C ATOM 691 CD1 LEU A 44 -4.118 -4.474 -1.773 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.491 -2.816 -3.631 1.00 0.00 C ATOM 0 H LEU A 44 -1.127 -4.860 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.239 -2.379 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.616 -3.679 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.457 -2.148 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.352 -4.636 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.040 -4.996 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.400 -5.185 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.330 -3.705 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.433 -3.308 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.674 -2.014 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.055 -2.399 -4.539 1.00 0.00 H new ATOM 704 N LEU A 45 0.601 -2.361 -3.224 1.00 0.00 N ATOM 705 CA LEU A 45 1.784 -1.577 -3.031 1.00 0.00 C ATOM 706 C LEU A 45 2.387 -1.376 -4.417 1.00 0.00 C ATOM 707 O LEU A 45 2.922 -0.313 -4.733 1.00 0.00 O ATOM 708 CB LEU A 45 2.657 -2.241 -1.917 1.00 0.00 C ATOM 709 CG LEU A 45 4.042 -2.692 -2.349 1.00 0.00 C ATOM 710 CD1 LEU A 45 3.922 -3.854 -3.321 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.799 -1.512 -2.933 1.00 0.00 C ATOM 0 H LEU A 45 0.643 -3.301 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 45 1.631 -0.573 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.765 -1.533 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.119 -3.104 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 45 4.612 -3.050 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.917 -4.175 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.407 -4.683 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.355 -3.539 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.793 -1.835 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.258 -1.124 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.890 -0.729 -2.180 1.00 0.00 H new ATOM 723 N ALA A 46 2.185 -2.382 -5.269 1.00 0.00 N ATOM 724 CA ALA A 46 2.610 -2.296 -6.671 1.00 0.00 C ATOM 725 C ALA A 46 1.764 -1.251 -7.384 1.00 0.00 C ATOM 726 O ALA A 46 2.276 -0.400 -8.113 1.00 0.00 O ATOM 727 CB ALA A 46 2.378 -3.625 -7.382 1.00 0.00 C ATOM 0 H ALA A 46 1.733 -3.261 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 46 3.669 -2.038 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.699 -3.543 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.951 -4.408 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.318 -3.875 -7.349 1.00 0.00 H new ATOM 733 N GLU A 47 0.454 -1.328 -7.128 1.00 0.00 N ATOM 734 CA GLU A 47 -0.516 -0.416 -7.692 1.00 0.00 C ATOM 735 C GLU A 47 -0.169 0.973 -7.253 1.00 0.00 C ATOM 736 O GLU A 47 -0.201 1.914 -8.019 1.00 0.00 O ATOM 737 CB GLU A 47 -1.882 -0.783 -7.125 1.00 0.00 C ATOM 738 CG GLU A 47 -2.639 -1.719 -8.066 1.00 0.00 C ATOM 739 CD GLU A 47 -3.761 -2.427 -7.305 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.814 -1.831 -7.149 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.548 -3.554 -6.886 1.00 0.00 O ATOM 0 H GLU A 47 0.045 -2.035 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.522 -0.474 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.758 -1.262 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.466 0.123 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.054 -1.153 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.955 -2.454 -8.490 1.00 0.00 H new ATOM 748 N ALA A 48 0.178 1.054 -5.993 1.00 0.00 N ATOM 749 CA ALA A 48 0.559 2.292 -5.370 1.00 0.00 C ATOM 750 C ALA A 48 1.740 2.904 -6.097 1.00 0.00 C ATOM 751 O ALA A 48 1.739 4.093 -6.403 1.00 0.00 O ATOM 752 CB ALA A 48 0.918 2.014 -3.932 1.00 0.00 C ATOM 0 H ALA A 48 0.203 0.251 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.269 2.999 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.210 2.944 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.056 1.589 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.748 1.308 -3.894 1.00 0.00 H new ATOM 758 N LYS A 49 2.728 2.072 -6.410 1.00 0.00 N ATOM 759 CA LYS A 49 3.884 2.541 -7.157 1.00 0.00 C ATOM 760 C LYS A 49 3.410 2.980 -8.533 1.00 0.00 C ATOM 761 O LYS A 49 3.885 3.975 -9.079 1.00 0.00 O ATOM 762 CB LYS A 49 4.938 1.435 -7.286 1.00 0.00 C ATOM 763 CG LYS A 49 5.610 1.200 -5.929 1.00 0.00 C ATOM 764 CD LYS A 49 6.683 0.114 -6.064 1.00 0.00 C ATOM 765 CE LYS A 49 7.331 -0.144 -4.699 1.00 0.00 C ATOM 766 NZ LYS A 49 7.689 -1.586 -4.583 1.00 0.00 N ATOM 0 H LYS A 49 2.750 1.083 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 49 4.348 3.376 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.472 0.514 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.685 1.716 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.059 2.126 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.866 0.900 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.238 -0.805 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.440 0.425 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.222 0.473 -4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.645 0.137 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.640 -1.877 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.023 -2.155 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.655 -1.734 -4.939 1.00 0.00 H new ATOM 780 N LYS A 50 2.423 2.245 -9.058 1.00 0.00 N ATOM 781 CA LYS A 50 1.831 2.569 -10.344 1.00 0.00 C ATOM 782 C LYS A 50 1.017 3.852 -10.214 1.00 0.00 C ATOM 783 O LYS A 50 0.953 4.648 -11.139 1.00 0.00 O ATOM 784 CB LYS A 50 0.958 1.397 -10.828 1.00 0.00 C ATOM 785 CG LYS A 50 1.857 0.282 -11.398 1.00 0.00 C ATOM 786 CD LYS A 50 1.296 -1.109 -11.047 1.00 0.00 C ATOM 787 CE LYS A 50 -0.089 -1.317 -11.670 1.00 0.00 C ATOM 788 NZ LYS A 50 0.005 -1.208 -13.154 1.00 0.00 N ATOM 0 H LYS A 50 2.023 1.423 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 50 2.614 2.731 -11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.361 1.010 -10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.260 1.741 -11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.931 0.386 -12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.866 0.383 -10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.978 -1.881 -11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.231 -1.216 -9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.480 -2.296 -11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.787 -0.574 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.844 -1.624 -13.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.076 -0.206 -13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.848 -1.717 -13.487 1.00 0.00 H new ATOM 802 N LEU A 51 0.420 4.035 -9.032 1.00 0.00 N ATOM 803 CA LEU A 51 -0.383 5.212 -8.718 1.00 0.00 C ATOM 804 C LEU A 51 0.514 6.423 -8.610 1.00 0.00 C ATOM 805 O LEU A 51 0.216 7.491 -9.137 1.00 0.00 O ATOM 806 CB LEU A 51 -1.064 5.017 -7.362 1.00 0.00 C ATOM 807 CG LEU A 51 -2.508 4.525 -7.491 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.396 5.661 -8.022 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.577 3.277 -8.395 1.00 0.00 C ATOM 0 H LEU A 51 0.483 3.365 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.124 5.353 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.492 4.301 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.053 5.960 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.880 4.233 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.423 5.308 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.362 6.503 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.034 5.979 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.611 2.942 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.198 3.525 -9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.970 2.481 -7.963 1.00 0.00 H new ATOM 821 N ASN A 52 1.623 6.223 -7.908 1.00 0.00 N ATOM 822 CA ASN A 52 2.595 7.272 -7.702 1.00 0.00 C ATOM 823 C ASN A 52 3.098 7.726 -9.050 1.00 0.00 C ATOM 824 O ASN A 52 3.153 8.920 -9.355 1.00 0.00 O ATOM 825 CB ASN A 52 3.735 6.695 -6.827 1.00 0.00 C ATOM 826 CG ASN A 52 5.156 7.202 -7.193 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.346 8.087 -8.019 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.186 6.674 -6.607 1.00 0.00 N ATOM 0 H ASN A 52 1.866 5.334 -7.471 1.00 0.00 H new ATOM 0 HA ASN A 52 2.166 8.135 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.534 6.941 -5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.721 5.608 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.125 6.997 -6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.056 5.936 -5.915 1.00 0.00 H new ATOM 835 N ASP A 53 3.458 6.748 -9.848 1.00 0.00 N ATOM 836 CA ASP A 53 3.967 7.004 -11.160 1.00 0.00 C ATOM 837 C ASP A 53 2.875 7.564 -12.070 1.00 0.00 C ATOM 838 O ASP A 53 3.140 8.390 -12.944 1.00 0.00 O ATOM 839 CB ASP A 53 4.513 5.697 -11.749 1.00 0.00 C ATOM 840 CG ASP A 53 5.696 5.158 -10.924 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.269 5.909 -10.146 1.00 0.00 O ATOM 842 OD2 ASP A 53 6.007 3.989 -11.082 1.00 0.00 O ATOM 0 H ASP A 53 3.404 5.760 -9.601 1.00 0.00 H new ATOM 0 HA ASP A 53 4.764 7.745 -11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.719 4.951 -11.779 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.832 5.865 -12.778 1.00 0.00 H new ATOM 847 N ALA A 54 1.654 7.061 -11.877 1.00 0.00 N ATOM 848 CA ALA A 54 0.511 7.461 -12.708 1.00 0.00 C ATOM 849 C ALA A 54 -0.034 8.848 -12.407 1.00 0.00 C ATOM 850 O ALA A 54 -0.422 9.578 -13.323 1.00 0.00 O ATOM 851 CB ALA A 54 -0.625 6.492 -12.458 1.00 0.00 C ATOM 0 H ALA A 54 1.429 6.377 -11.155 1.00 0.00 H new ATOM 0 HA ALA A 54 0.876 7.461 -13.735 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.484 6.773 -13.067 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.308 5.483 -12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.903 6.521 -11.404 1.00 0.00 H new ATOM 857 N GLN A 55 -0.112 9.185 -11.129 1.00 0.00 N ATOM 858 CA GLN A 55 -0.675 10.460 -10.727 1.00 0.00 C ATOM 859 C GLN A 55 0.336 11.563 -10.819 1.00 0.00 C ATOM 860 O GLN A 55 0.053 12.635 -11.361 1.00 0.00 O ATOM 861 CB GLN A 55 -1.129 10.369 -9.281 1.00 0.00 C ATOM 862 CG GLN A 55 -2.289 9.387 -9.153 1.00 0.00 C ATOM 863 CD GLN A 55 -2.594 9.165 -7.683 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.444 8.353 -7.347 1.00 0.00 O ATOM 865 NE2 GLN A 55 -1.955 9.853 -6.777 1.00 0.00 N ATOM 0 H GLN A 55 0.206 8.597 -10.359 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.507 10.681 -11.396 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.299 10.047 -8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.435 11.353 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.169 9.776 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.035 8.441 -9.631 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.246 10.530 -7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.165 9.713 -5.789 1.00 0.00 H new ATOM 874 N ALA A 56 1.501 11.295 -10.240 1.00 0.00 N ATOM 875 CA ALA A 56 2.574 12.289 -10.192 1.00 0.00 C ATOM 876 C ALA A 56 1.960 13.668 -9.858 1.00 0.00 C ATOM 877 O ALA A 56 2.022 14.598 -10.666 1.00 0.00 O ATOM 878 CB ALA A 56 3.307 12.315 -11.535 1.00 0.00 C ATOM 0 H ALA A 56 1.729 10.404 -9.799 1.00 0.00 H new ATOM 0 HA ALA A 56 3.299 12.033 -9.419 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.106 13.055 -11.499 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.732 11.332 -11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.606 12.576 -12.327 1.00 0.00 H new