USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 620 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 27 LYS NZ :NH3+ 167:sc= -3.08! (180deg=-3.84!) USER MOD Set 1.2: A 41 GLN : amide:sc= -4.19! C(o=-6.1!,f=-15!) USER MOD Set 1.3: A 69 SER OG : rot 70:sc= 1.15 USER MOD Set 2.1: A 7 THR OG1 : rot -76:sc= 1.33 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET CE :methyl -146:sc= -0.025 (180deg=-0.0567) USER MOD Set 3.2: A 63 LYS NZ :NH3+ -175:sc= -0.0993 (180deg=-0.176) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.361! (180deg=-1.62!) USER MOD Single : A 2 GLN : amide:sc= -5.73! C(o=-5.7!,f=-4!) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= -1.35 (180deg=-1.6) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.074 (180deg=-0.233) USER MOD Single : A 12 THR OG1 : rot -140:sc= -2.61! USER MOD Single : A 14 THR OG1 : rot -58:sc= 1.57 USER MOD Single : A 19 SER OG : rot 100:sc= -2.34 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.16) USER MOD Single : A 28 SER OG : rot 39:sc= 1.12 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.72 K(o=-1.7,f=-3.7) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= -0.0445 (180deg=-0.318) USER MOD Single : A 40 GLN : amide:sc= -5.58 K(o=-5.6,f=-0.7) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.22 (180deg=-0.504) USER MOD Single : A 49 GLN : amide:sc= -2.99! C(o=-3!,f=-3.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.784 USER MOD Single : A 60 ASN : amide:sc= -2.64! K(o=-2.6!,f=-0.39) USER MOD Single : A 62 GLN : amide:sc= -2.84 K(o=-2.8,f=-3.9) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.159 3.874 2.519 1.00 0.30 N ATOM 2 CA MET A 1 13.009 3.490 1.095 1.00 0.24 C ATOM 3 C MET A 1 11.941 4.431 0.419 1.00 0.24 C ATOM 4 O MET A 1 11.864 5.569 0.862 1.00 0.42 O ATOM 5 CB MET A 1 12.707 1.950 1.085 1.00 0.26 C ATOM 6 CG MET A 1 13.882 1.067 0.659 1.00 0.37 C ATOM 7 SD MET A 1 14.615 1.586 -0.904 1.00 0.64 S ATOM 8 CE MET A 1 15.979 0.435 -1.035 1.00 1.50 C ATOM 0 H1 MET A 1 14.049 3.486 2.891 1.00 0.30 H new ATOM 0 H2 MET A 1 13.172 4.911 2.599 1.00 0.30 H new ATOM 0 H3 MET A 1 12.361 3.494 3.067 1.00 0.30 H new ATOM 0 HA MET A 1 13.901 3.635 0.486 1.00 0.24 H new ATOM 0 HB2 MET A 1 12.389 1.650 2.084 1.00 0.26 H new ATOM 0 HB3 MET A 1 11.869 1.763 0.414 1.00 0.26 H new ATOM 0 HG2 MET A 1 14.645 1.086 1.437 1.00 0.37 H new ATOM 0 HG3 MET A 1 13.542 0.035 0.571 1.00 0.37 H new ATOM 0 HE1 MET A 1 16.823 0.925 -1.520 1.00 1.50 H new ATOM 0 HE2 MET A 1 16.274 0.106 -0.039 1.00 1.50 H new ATOM 0 HE3 MET A 1 15.672 -0.428 -1.626 1.00 1.50 H new ATOM 20 N GLN A 2 10.945 3.985 -0.397 1.00 0.21 N ATOM 21 CA GLN A 2 10.085 4.981 -1.134 1.00 0.25 C ATOM 22 C GLN A 2 9.081 4.243 -2.042 1.00 0.19 C ATOM 23 O GLN A 2 9.497 3.423 -2.866 1.00 0.21 O ATOM 24 CB GLN A 2 10.934 5.888 -2.088 1.00 0.44 C ATOM 25 CG GLN A 2 11.778 7.016 -1.450 1.00 1.00 C ATOM 26 CD GLN A 2 13.204 6.588 -1.152 1.00 2.14 C ATOM 27 OE1 GLN A 2 13.823 7.069 -0.202 1.00 3.00 O ATOM 28 NE2 GLN A 2 13.739 5.686 -1.969 1.00 2.81 N ATOM 0 H GLN A 2 10.718 3.004 -0.562 1.00 0.21 H new ATOM 0 HA GLN A 2 9.590 5.583 -0.372 1.00 0.25 H new ATOM 0 HB2 GLN A 2 11.609 5.243 -2.651 1.00 0.44 H new ATOM 0 HB3 GLN A 2 10.255 6.344 -2.808 1.00 0.44 H new ATOM 0 HG2 GLN A 2 11.794 7.875 -2.121 1.00 1.00 H new ATOM 0 HG3 GLN A 2 11.301 7.342 -0.526 1.00 1.00 H new ATOM 0 HE21 GLN A 2 13.192 5.312 -2.745 1.00 2.81 H new ATOM 0 HE22 GLN A 2 14.697 5.368 -1.820 1.00 2.81 H new ATOM 37 N ILE A 3 7.779 4.541 -1.924 1.00 0.19 N ATOM 38 CA ILE A 3 6.769 3.891 -2.779 1.00 0.18 C ATOM 39 C ILE A 3 5.631 4.863 -3.089 1.00 0.18 C ATOM 40 O ILE A 3 5.273 5.654 -2.212 1.00 0.24 O ATOM 41 CB ILE A 3 6.178 2.640 -2.084 1.00 0.23 C ATOM 42 CG1 ILE A 3 7.251 1.545 -1.977 1.00 0.24 C ATOM 43 CG2 ILE A 3 4.963 2.132 -2.849 1.00 0.25 C ATOM 44 CD1 ILE A 3 7.724 1.012 -3.324 1.00 0.26 C ATOM 0 H ILE A 3 7.403 5.216 -1.258 1.00 0.19 H new ATOM 0 HA ILE A 3 7.263 3.590 -3.703 1.00 0.18 H new ATOM 0 HB ILE A 3 5.856 2.912 -1.079 1.00 0.23 H new ATOM 0 HG12 ILE A 3 8.108 1.942 -1.433 1.00 0.24 H new ATOM 0 HG13 ILE A 3 6.855 0.718 -1.388 1.00 0.24 H new ATOM 0 HG21 ILE A 3 4.559 1.252 -2.348 1.00 0.25 H new ATOM 0 HG22 ILE A 3 4.202 2.912 -2.883 1.00 0.25 H new ATOM 0 HG23 ILE A 3 5.257 1.868 -3.865 1.00 0.25 H new ATOM 0 HD11 ILE A 3 8.480 0.243 -3.166 1.00 0.26 H new ATOM 0 HD12 ILE A 3 6.879 0.584 -3.863 1.00 0.26 H new ATOM 0 HD13 ILE A 3 8.152 1.827 -3.908 1.00 0.26 H new ATOM 56 N PHE A 4 5.016 4.824 -4.298 1.00 0.16 N ATOM 57 CA PHE A 4 3.907 5.798 -4.543 1.00 0.17 C ATOM 58 C PHE A 4 2.620 5.037 -4.882 1.00 0.19 C ATOM 59 O PHE A 4 2.608 4.151 -5.737 1.00 0.24 O ATOM 60 CB PHE A 4 4.231 6.971 -5.630 1.00 0.28 C ATOM 61 CG PHE A 4 5.564 7.775 -5.454 1.00 0.43 C ATOM 62 CD1 PHE A 4 6.347 7.558 -4.330 1.00 0.77 C ATOM 63 CD2 PHE A 4 6.063 8.744 -6.415 1.00 0.50 C ATOM 64 CE1 PHE A 4 7.540 8.227 -4.127 1.00 1.00 C ATOM 65 CE2 PHE A 4 7.274 9.403 -6.187 1.00 0.63 C ATOM 66 CZ PHE A 4 8.002 9.138 -5.050 1.00 0.86 C ATOM 0 H PHE A 4 5.238 4.189 -5.064 1.00 0.16 H new ATOM 0 HA PHE A 4 3.778 6.350 -3.612 1.00 0.17 H new ATOM 0 HB2 PHE A 4 4.241 6.517 -6.621 1.00 0.28 H new ATOM 0 HB3 PHE A 4 3.405 7.682 -5.613 1.00 0.28 H new ATOM 0 HD1 PHE A 4 6.015 6.844 -3.590 1.00 0.77 H new ATOM 0 HD2 PHE A 4 5.496 8.956 -7.309 1.00 0.50 H new ATOM 0 HE1 PHE A 4 8.116 8.033 -3.234 1.00 1.00 H new ATOM 0 HE2 PHE A 4 7.639 10.122 -6.905 1.00 0.63 H new ATOM 0 HZ PHE A 4 8.940 9.647 -4.881 1.00 0.86 H new ATOM 76 N VAL A 5 1.528 5.409 -4.185 1.00 0.19 N ATOM 77 CA VAL A 5 0.240 4.754 -4.334 1.00 0.23 C ATOM 78 C VAL A 5 -0.826 5.717 -4.879 1.00 0.20 C ATOM 79 O VAL A 5 -1.018 6.808 -4.306 1.00 0.17 O ATOM 80 CB VAL A 5 -0.251 4.224 -2.948 1.00 0.27 C ATOM 81 CG1 VAL A 5 -1.012 2.915 -3.050 1.00 0.63 C ATOM 82 CG2 VAL A 5 0.894 4.055 -1.969 1.00 0.70 C ATOM 0 H VAL A 5 1.528 6.172 -3.508 1.00 0.19 H new ATOM 0 HA VAL A 5 0.375 3.934 -5.039 1.00 0.23 H new ATOM 0 HB VAL A 5 -0.934 4.988 -2.577 1.00 0.27 H new ATOM 0 HG11 VAL A 5 -1.327 2.599 -2.056 1.00 0.63 H new ATOM 0 HG12 VAL A 5 -1.890 3.053 -3.682 1.00 0.63 H new ATOM 0 HG13 VAL A 5 -0.367 2.152 -3.486 1.00 0.63 H new ATOM 0 HG21 VAL A 5 0.509 3.685 -1.019 1.00 0.70 H new ATOM 0 HG22 VAL A 5 1.614 3.342 -2.371 1.00 0.70 H new ATOM 0 HG23 VAL A 5 1.384 5.016 -1.812 1.00 0.70 H new ATOM 92 N LYS A 6 -1.475 5.368 -6.013 1.00 0.23 N ATOM 93 CA LYS A 6 -2.575 6.245 -6.519 1.00 0.21 C ATOM 94 C LYS A 6 -3.842 5.831 -5.768 1.00 0.21 C ATOM 95 O LYS A 6 -4.029 4.655 -5.450 1.00 0.25 O ATOM 96 CB LYS A 6 -2.877 6.107 -8.073 1.00 0.25 C ATOM 97 CG LYS A 6 -1.649 5.968 -9.026 1.00 0.54 C ATOM 98 CD LYS A 6 -0.653 7.143 -8.994 1.00 0.29 C ATOM 99 CE LYS A 6 0.385 7.034 -10.138 1.00 0.41 C ATOM 100 NZ LYS A 6 0.978 5.671 -10.211 1.00 1.11 N ATOM 0 H LYS A 6 -1.279 4.538 -6.573 1.00 0.23 H new ATOM 0 HA LYS A 6 -2.266 7.278 -6.356 1.00 0.21 H new ATOM 0 HB2 LYS A 6 -3.517 5.237 -8.217 1.00 0.25 H new ATOM 0 HB3 LYS A 6 -3.450 6.980 -8.385 1.00 0.25 H new ATOM 0 HG2 LYS A 6 -1.114 5.053 -8.771 1.00 0.54 H new ATOM 0 HG3 LYS A 6 -2.014 5.850 -10.046 1.00 0.54 H new ATOM 0 HD2 LYS A 6 -1.195 8.084 -9.081 1.00 0.29 H new ATOM 0 HD3 LYS A 6 -0.138 7.160 -8.033 1.00 0.29 H new ATOM 0 HE2 LYS A 6 -0.093 7.275 -11.088 1.00 0.41 H new ATOM 0 HE3 LYS A 6 1.176 7.768 -9.984 1.00 0.41 H new ATOM 0 HZ1 LYS A 6 1.955 5.736 -10.561 1.00 1.11 H new ATOM 0 HZ2 LYS A 6 0.977 5.241 -9.264 1.00 1.11 H new ATOM 0 HZ3 LYS A 6 0.416 5.082 -10.859 1.00 1.11 H new ATOM 114 N THR A 7 -4.702 6.794 -5.494 1.00 0.17 N ATOM 115 CA THR A 7 -5.984 6.484 -4.778 1.00 0.18 C ATOM 116 C THR A 7 -7.189 6.456 -5.736 1.00 0.19 C ATOM 117 O THR A 7 -7.087 6.880 -6.887 1.00 0.19 O ATOM 118 CB THR A 7 -6.293 7.480 -3.626 1.00 0.18 C ATOM 119 OG1 THR A 7 -6.518 8.789 -4.163 1.00 0.17 O ATOM 120 CG2 THR A 7 -5.136 7.532 -2.634 1.00 0.19 C ATOM 0 H THR A 7 -4.569 7.776 -5.736 1.00 0.17 H new ATOM 0 HA THR A 7 -5.832 5.493 -4.350 1.00 0.18 H new ATOM 0 HB THR A 7 -7.187 7.137 -3.106 1.00 0.18 H new ATOM 0 HG1 THR A 7 -5.661 9.189 -4.421 1.00 0.17 H new ATOM 0 HG21 THR A 7 -5.373 8.235 -1.835 1.00 0.19 H new ATOM 0 HG22 THR A 7 -4.976 6.541 -2.209 1.00 0.19 H new ATOM 0 HG23 THR A 7 -4.231 7.857 -3.147 1.00 0.19 H new ATOM 128 N LEU A 8 -8.334 5.950 -5.241 1.00 0.21 N ATOM 129 CA LEU A 8 -9.554 5.844 -6.066 1.00 0.22 C ATOM 130 C LEU A 8 -10.133 7.204 -6.508 1.00 0.22 C ATOM 131 O LEU A 8 -10.995 7.237 -7.386 1.00 0.24 O ATOM 132 CB LEU A 8 -10.653 5.024 -5.359 1.00 0.25 C ATOM 133 CG LEU A 8 -11.073 3.757 -6.111 1.00 0.35 C ATOM 134 CD1 LEU A 8 -9.957 2.724 -6.088 1.00 0.50 C ATOM 135 CD2 LEU A 8 -12.351 3.176 -5.525 1.00 0.34 C ATOM 0 H LEU A 8 -8.441 5.611 -4.285 1.00 0.21 H new ATOM 0 HA LEU A 8 -9.231 5.323 -6.968 1.00 0.22 H new ATOM 0 HB2 LEU A 8 -10.300 4.744 -4.367 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -11.529 5.657 -5.219 1.00 0.25 H new ATOM 0 HG LEU A 8 -11.268 4.029 -7.148 1.00 0.35 H new ATOM 0 HD11 LEU A 8 -10.276 1.832 -6.627 1.00 0.50 H new ATOM 0 HD12 LEU A 8 -9.068 3.138 -6.564 1.00 0.50 H new ATOM 0 HD13 LEU A 8 -9.726 2.461 -5.056 1.00 0.50 H new ATOM 0 HD21 LEU A 8 -12.628 2.277 -6.076 1.00 0.34 H new ATOM 0 HD22 LEU A 8 -12.189 2.924 -4.477 1.00 0.34 H new ATOM 0 HD23 LEU A 8 -13.153 3.910 -5.601 1.00 0.34 H new ATOM 147 N THR A 9 -9.684 8.322 -5.922 1.00 0.21 N ATOM 148 CA THR A 9 -10.209 9.645 -6.338 1.00 0.23 C ATOM 149 C THR A 9 -9.262 10.354 -7.316 1.00 0.23 C ATOM 150 O THR A 9 -9.494 11.503 -7.691 1.00 0.25 O ATOM 151 CB THR A 9 -10.427 10.558 -5.116 1.00 0.25 C ATOM 152 OG1 THR A 9 -9.171 10.845 -4.489 1.00 1.14 O ATOM 153 CG2 THR A 9 -11.359 9.903 -4.109 1.00 1.31 C ATOM 0 H THR A 9 -8.982 8.348 -5.182 1.00 0.21 H new ATOM 0 HA THR A 9 -11.160 9.459 -6.838 1.00 0.23 H new ATOM 0 HB THR A 9 -10.883 11.485 -5.462 1.00 0.25 H new ATOM 0 HG1 THR A 9 -9.318 11.427 -3.714 1.00 1.14 H new ATOM 0 HG21 THR A 9 -11.497 10.567 -3.256 1.00 1.31 H new ATOM 0 HG22 THR A 9 -12.324 9.710 -4.578 1.00 1.31 H new ATOM 0 HG23 THR A 9 -10.925 8.962 -3.770 1.00 1.31 H new ATOM 161 N GLY A 10 -8.197 9.663 -7.723 1.00 0.20 N ATOM 162 CA GLY A 10 -7.232 10.245 -8.666 1.00 0.22 C ATOM 163 C GLY A 10 -6.168 11.080 -7.973 1.00 0.21 C ATOM 164 O GLY A 10 -5.616 12.002 -8.575 1.00 0.24 O ATOM 0 H GLY A 10 -7.979 8.713 -7.422 1.00 0.20 H new ATOM 0 HA2 GLY A 10 -6.751 9.445 -9.228 1.00 0.22 H new ATOM 0 HA3 GLY A 10 -7.764 10.866 -9.387 1.00 0.22 H new ATOM 168 N LYS A 11 -5.868 10.767 -6.710 1.00 0.18 N ATOM 169 CA LYS A 11 -4.807 11.491 -5.970 1.00 0.18 C ATOM 170 C LYS A 11 -3.717 10.487 -5.514 1.00 0.14 C ATOM 171 O LYS A 11 -4.037 9.491 -4.868 1.00 0.13 O ATOM 172 CB LYS A 11 -5.413 12.253 -4.733 1.00 0.22 C ATOM 173 CG LYS A 11 -4.427 13.186 -3.955 1.00 0.78 C ATOM 174 CD LYS A 11 -3.595 12.432 -2.894 1.00 1.39 C ATOM 175 CE LYS A 11 -2.681 13.367 -2.063 1.00 1.90 C ATOM 176 NZ LYS A 11 -2.356 14.618 -2.804 1.00 2.00 N ATOM 0 H LYS A 11 -6.331 10.031 -6.177 1.00 0.18 H new ATOM 0 HA LYS A 11 -4.355 12.232 -6.630 1.00 0.18 H new ATOM 0 HB2 LYS A 11 -6.255 12.853 -5.077 1.00 0.22 H new ATOM 0 HB3 LYS A 11 -5.811 11.516 -4.036 1.00 0.22 H new ATOM 0 HG2 LYS A 11 -3.753 13.665 -4.665 1.00 0.78 H new ATOM 0 HG3 LYS A 11 -4.994 13.979 -3.468 1.00 0.78 H new ATOM 0 HD2 LYS A 11 -4.269 11.901 -2.222 1.00 1.39 H new ATOM 0 HD3 LYS A 11 -2.981 11.680 -3.389 1.00 1.39 H new ATOM 0 HE2 LYS A 11 -3.174 13.618 -1.124 1.00 1.90 H new ATOM 0 HE3 LYS A 11 -1.759 12.844 -1.809 1.00 1.90 H new ATOM 0 HZ1 LYS A 11 -1.602 15.131 -2.305 1.00 2.00 H new ATOM 0 HZ2 LYS A 11 -2.036 14.379 -3.764 1.00 2.00 H new ATOM 0 HZ3 LYS A 11 -3.204 15.218 -2.861 1.00 2.00 H new ATOM 190 N THR A 12 -2.440 10.742 -5.839 1.00 0.14 N ATOM 191 CA THR A 12 -1.342 9.827 -5.428 1.00 0.12 C ATOM 192 C THR A 12 -0.450 10.472 -4.361 1.00 0.13 C ATOM 193 O THR A 12 -0.255 11.688 -4.382 1.00 0.15 O ATOM 194 CB THR A 12 -0.461 9.410 -6.623 1.00 0.14 C ATOM 195 OG1 THR A 12 0.196 8.174 -6.325 1.00 0.14 O ATOM 196 CG2 THR A 12 0.589 10.466 -6.927 1.00 0.20 C ATOM 0 H THR A 12 -2.137 11.555 -6.374 1.00 0.14 H new ATOM 0 HA THR A 12 -1.823 8.940 -5.016 1.00 0.12 H new ATOM 0 HB THR A 12 -1.105 9.297 -7.495 1.00 0.14 H new ATOM 0 HG1 THR A 12 1.117 8.204 -6.660 1.00 0.14 H new ATOM 0 HG21 THR A 12 1.195 10.144 -7.774 1.00 0.20 H new ATOM 0 HG22 THR A 12 0.098 11.408 -7.170 1.00 0.20 H new ATOM 0 HG23 THR A 12 1.229 10.604 -6.055 1.00 0.20 H new ATOM 204 N ILE A 13 0.089 9.678 -3.417 1.00 0.13 N ATOM 205 CA ILE A 13 0.948 10.292 -2.359 1.00 0.16 C ATOM 206 C ILE A 13 2.387 9.737 -2.392 1.00 0.18 C ATOM 207 O ILE A 13 2.623 8.628 -2.874 1.00 0.18 O ATOM 208 CB ILE A 13 0.393 10.072 -0.918 1.00 0.18 C ATOM 209 CG1 ILE A 13 -1.113 10.377 -0.804 1.00 0.15 C ATOM 210 CG2 ILE A 13 1.155 10.921 0.091 1.00 0.26 C ATOM 211 CD1 ILE A 13 -1.719 9.630 0.354 1.00 0.16 C ATOM 0 H ILE A 13 -0.037 8.668 -3.353 1.00 0.13 H new ATOM 0 HA ILE A 13 0.945 11.358 -2.587 1.00 0.16 H new ATOM 0 HB ILE A 13 0.536 9.014 -0.697 1.00 0.18 H new ATOM 0 HG12 ILE A 13 -1.263 11.448 -0.671 1.00 0.15 H new ATOM 0 HG13 ILE A 13 -1.617 10.096 -1.729 1.00 0.15 H new ATOM 0 HG21 ILE A 13 0.750 10.751 1.089 1.00 0.26 H new ATOM 0 HG22 ILE A 13 2.210 10.646 0.075 1.00 0.26 H new ATOM 0 HG23 ILE A 13 1.051 11.975 -0.168 1.00 0.26 H new ATOM 0 HD11 ILE A 13 -2.783 9.859 0.418 1.00 0.16 H new ATOM 0 HD12 ILE A 13 -1.586 8.558 0.205 1.00 0.16 H new ATOM 0 HD13 ILE A 13 -1.227 9.931 1.279 1.00 0.16 H new ATOM 223 N THR A 14 3.344 10.527 -1.874 1.00 0.20 N ATOM 224 CA THR A 14 4.769 10.113 -1.820 1.00 0.24 C ATOM 225 C THR A 14 5.073 9.589 -0.395 1.00 0.25 C ATOM 226 O THR A 14 4.917 10.335 0.574 1.00 0.26 O ATOM 227 CB THR A 14 5.737 11.279 -2.220 1.00 0.29 C ATOM 228 OG1 THR A 14 6.374 10.958 -3.459 1.00 0.49 O ATOM 229 CG2 THR A 14 6.812 11.523 -1.163 1.00 0.63 C ATOM 0 H THR A 14 3.164 11.453 -1.487 1.00 0.20 H new ATOM 0 HA THR A 14 4.938 9.320 -2.549 1.00 0.24 H new ATOM 0 HB THR A 14 5.140 12.187 -2.311 1.00 0.29 H new ATOM 0 HG1 THR A 14 6.865 10.115 -3.366 1.00 0.49 H new ATOM 0 HG21 THR A 14 7.459 12.340 -1.484 1.00 0.63 H new ATOM 0 HG22 THR A 14 6.339 11.785 -0.217 1.00 0.63 H new ATOM 0 HG23 THR A 14 7.407 10.619 -1.033 1.00 0.63 H new ATOM 237 N LEU A 15 5.476 8.310 -0.243 1.00 0.26 N ATOM 238 CA LEU A 15 5.733 7.756 1.096 1.00 0.30 C ATOM 239 C LEU A 15 7.184 7.269 1.269 1.00 0.32 C ATOM 240 O LEU A 15 7.813 6.777 0.317 1.00 0.30 O ATOM 241 CB LEU A 15 4.774 6.576 1.395 1.00 0.30 C ATOM 242 CG LEU A 15 4.435 6.382 2.867 1.00 0.35 C ATOM 243 CD1 LEU A 15 3.624 7.545 3.385 1.00 0.67 C ATOM 244 CD2 LEU A 15 3.632 5.127 3.033 1.00 0.66 C ATOM 0 H LEU A 15 5.627 7.658 -1.013 1.00 0.26 H new ATOM 0 HA LEU A 15 5.560 8.571 1.799 1.00 0.30 H new ATOM 0 HB2 LEU A 15 3.848 6.730 0.841 1.00 0.30 H new ATOM 0 HB3 LEU A 15 5.223 5.658 1.016 1.00 0.30 H new ATOM 0 HG LEU A 15 5.367 6.316 3.429 1.00 0.35 H new ATOM 0 HD11 LEU A 15 3.392 7.387 4.438 1.00 0.67 H new ATOM 0 HD12 LEU A 15 4.196 8.466 3.274 1.00 0.67 H new ATOM 0 HD13 LEU A 15 2.697 7.623 2.817 1.00 0.67 H new ATOM 0 HD21 LEU A 15 3.389 4.987 4.086 1.00 0.66 H new ATOM 0 HD22 LEU A 15 2.711 5.205 2.455 1.00 0.66 H new ATOM 0 HD23 LEU A 15 4.211 4.275 2.678 1.00 0.66 H new ATOM 256 N GLU A 16 7.658 7.355 2.524 1.00 0.37 N ATOM 257 CA GLU A 16 9.017 6.937 2.905 1.00 0.40 C ATOM 258 C GLU A 16 8.861 5.539 3.516 1.00 0.39 C ATOM 259 O GLU A 16 8.213 5.408 4.555 1.00 0.42 O ATOM 260 CB GLU A 16 9.637 7.923 3.962 1.00 0.45 C ATOM 261 CG GLU A 16 11.122 7.592 4.363 1.00 0.48 C ATOM 262 CD GLU A 16 11.193 6.487 5.399 1.00 0.48 C ATOM 263 OE1 GLU A 16 10.986 6.782 6.595 1.00 0.51 O ATOM 264 OE2 GLU A 16 11.455 5.328 5.015 1.00 0.46 O ATOM 0 H GLU A 16 7.108 7.717 3.303 1.00 0.37 H new ATOM 0 HA GLU A 16 9.686 6.938 2.044 1.00 0.40 H new ATOM 0 HB2 GLU A 16 9.598 8.936 3.563 1.00 0.45 H new ATOM 0 HB3 GLU A 16 9.019 7.910 4.860 1.00 0.45 H new ATOM 0 HG2 GLU A 16 11.680 7.294 3.475 1.00 0.48 H new ATOM 0 HG3 GLU A 16 11.601 8.489 4.755 1.00 0.48 H new ATOM 271 N VAL A 17 9.428 4.490 2.909 1.00 0.37 N ATOM 272 CA VAL A 17 9.166 3.124 3.436 1.00 0.35 C ATOM 273 C VAL A 17 10.440 2.346 3.618 1.00 0.34 C ATOM 274 O VAL A 17 11.474 2.818 3.266 1.00 0.35 O ATOM 275 CB VAL A 17 8.243 2.312 2.482 1.00 0.35 C ATOM 276 CG1 VAL A 17 6.857 2.891 2.457 1.00 0.34 C ATOM 277 CG2 VAL A 17 8.801 2.313 1.076 1.00 0.39 C ATOM 0 H VAL A 17 10.041 4.540 2.095 1.00 0.37 H new ATOM 0 HA VAL A 17 8.676 3.262 4.400 1.00 0.35 H new ATOM 0 HB VAL A 17 8.199 1.290 2.857 1.00 0.35 H new ATOM 0 HG11 VAL A 17 6.231 2.306 1.783 1.00 0.34 H new ATOM 0 HG12 VAL A 17 6.433 2.864 3.461 1.00 0.34 H new ATOM 0 HG13 VAL A 17 6.900 3.923 2.109 1.00 0.34 H new ATOM 0 HG21 VAL A 17 8.143 1.740 0.423 1.00 0.39 H new ATOM 0 HG22 VAL A 17 8.870 3.338 0.713 1.00 0.39 H new ATOM 0 HG23 VAL A 17 9.793 1.861 1.078 1.00 0.39 H new ATOM 287 N GLU A 18 10.390 1.208 4.283 1.00 0.34 N ATOM 288 CA GLU A 18 11.599 0.404 4.425 1.00 0.37 C ATOM 289 C GLU A 18 11.239 -1.097 4.349 1.00 0.41 C ATOM 290 O GLU A 18 10.271 -1.526 4.972 1.00 0.38 O ATOM 291 CB GLU A 18 12.349 0.736 5.738 1.00 0.36 C ATOM 292 CG GLU A 18 11.495 0.638 7.039 1.00 0.36 C ATOM 293 CD GLU A 18 10.952 1.992 7.450 1.00 0.46 C ATOM 294 OE1 GLU A 18 11.718 2.787 8.036 1.00 0.59 O ATOM 295 OE2 GLU A 18 9.760 2.259 7.187 1.00 0.51 O ATOM 0 H GLU A 18 9.554 0.823 4.723 1.00 0.34 H new ATOM 0 HA GLU A 18 12.274 0.645 3.604 1.00 0.37 H new ATOM 0 HB2 GLU A 18 13.200 0.062 5.831 1.00 0.36 H new ATOM 0 HB3 GLU A 18 12.750 1.747 5.662 1.00 0.36 H new ATOM 0 HG2 GLU A 18 10.668 -0.054 6.881 1.00 0.36 H new ATOM 0 HG3 GLU A 18 12.104 0.229 7.845 1.00 0.36 H new ATOM 302 N SER A 19 12.017 -1.886 3.586 1.00 0.48 N ATOM 303 CA SER A 19 11.765 -3.319 3.397 1.00 0.56 C ATOM 304 C SER A 19 11.433 -4.086 4.686 1.00 0.55 C ATOM 305 O SER A 19 10.875 -5.180 4.617 1.00 0.59 O ATOM 306 CB SER A 19 12.950 -3.978 2.704 1.00 0.68 C ATOM 307 OG SER A 19 12.555 -5.169 2.056 1.00 1.16 O ATOM 0 H SER A 19 12.837 -1.544 3.085 1.00 0.48 H new ATOM 0 HA SER A 19 10.873 -3.373 2.773 1.00 0.56 H new ATOM 0 HB2 SER A 19 13.381 -3.289 1.977 1.00 0.68 H new ATOM 0 HB3 SER A 19 13.728 -4.198 3.435 1.00 0.68 H new ATOM 0 HG SER A 19 12.432 -4.996 1.099 1.00 1.16 H new ATOM 313 N SER A 20 11.775 -3.536 5.850 1.00 0.52 N ATOM 314 CA SER A 20 11.542 -4.245 7.119 1.00 0.53 C ATOM 315 C SER A 20 10.194 -3.881 7.752 1.00 0.45 C ATOM 316 O SER A 20 9.674 -4.642 8.570 1.00 0.47 O ATOM 317 CB SER A 20 12.692 -3.981 8.133 1.00 0.60 C ATOM 318 OG SER A 20 12.489 -2.741 8.790 1.00 0.55 O ATOM 0 H SER A 20 12.208 -2.617 5.947 1.00 0.52 H new ATOM 0 HA SER A 20 11.520 -5.308 6.877 1.00 0.53 H new ATOM 0 HB2 SER A 20 12.733 -4.787 8.866 1.00 0.60 H new ATOM 0 HB3 SER A 20 13.650 -3.973 7.614 1.00 0.60 H new ATOM 0 HG SER A 20 13.217 -2.585 9.427 1.00 0.55 H new ATOM 324 N ASP A 21 9.627 -2.734 7.387 1.00 0.37 N ATOM 325 CA ASP A 21 8.322 -2.331 7.981 1.00 0.32 C ATOM 326 C ASP A 21 7.216 -3.261 7.472 1.00 0.26 C ATOM 327 O ASP A 21 7.254 -3.714 6.327 1.00 0.25 O ATOM 328 CB ASP A 21 7.928 -0.869 7.582 1.00 0.32 C ATOM 329 CG ASP A 21 6.936 -0.269 8.558 1.00 0.58 C ATOM 330 OD1 ASP A 21 7.275 -0.164 9.755 1.00 1.01 O ATOM 331 OD2 ASP A 21 5.820 0.090 8.127 1.00 1.20 O ATOM 0 H ASP A 21 10.019 -2.079 6.711 1.00 0.37 H new ATOM 0 HA ASP A 21 8.429 -2.393 9.064 1.00 0.32 H new ATOM 0 HB2 ASP A 21 8.823 -0.248 7.545 1.00 0.32 H new ATOM 0 HB3 ASP A 21 7.498 -0.869 6.580 1.00 0.32 H new ATOM 336 N THR A 22 6.228 -3.543 8.331 1.00 0.24 N ATOM 337 CA THR A 22 5.112 -4.413 7.965 1.00 0.20 C ATOM 338 C THR A 22 4.141 -3.684 7.025 1.00 0.19 C ATOM 339 O THR A 22 3.922 -2.484 7.192 1.00 0.20 O ATOM 340 CB THR A 22 4.342 -4.883 9.216 1.00 0.20 C ATOM 341 OG1 THR A 22 5.253 -5.443 10.168 1.00 0.93 O ATOM 342 CG2 THR A 22 3.291 -5.918 8.849 1.00 0.90 C ATOM 0 H THR A 22 6.182 -3.180 9.283 1.00 0.24 H new ATOM 0 HA THR A 22 5.530 -5.281 7.455 1.00 0.20 H new ATOM 0 HB THR A 22 3.842 -4.019 9.653 1.00 0.20 H new ATOM 0 HG1 THR A 22 4.758 -5.738 10.961 1.00 0.93 H new ATOM 0 HG21 THR A 22 2.762 -6.234 9.748 1.00 0.90 H new ATOM 0 HG22 THR A 22 2.582 -5.483 8.145 1.00 0.90 H new ATOM 0 HG23 THR A 22 3.774 -6.781 8.391 1.00 0.90 H new ATOM 350 N ILE A 23 3.555 -4.386 6.038 1.00 0.20 N ATOM 351 CA ILE A 23 2.640 -3.734 5.107 1.00 0.22 C ATOM 352 C ILE A 23 1.468 -3.057 5.859 1.00 0.21 C ATOM 353 O ILE A 23 1.011 -1.992 5.429 1.00 0.22 O ATOM 354 CB ILE A 23 2.098 -4.715 4.030 1.00 0.26 C ATOM 355 CG1 ILE A 23 3.259 -5.477 3.386 1.00 0.40 C ATOM 356 CG2 ILE A 23 1.317 -3.948 2.974 1.00 0.42 C ATOM 357 CD1 ILE A 23 2.818 -6.570 2.434 1.00 1.40 C ATOM 0 H ILE A 23 3.699 -5.382 5.873 1.00 0.20 H new ATOM 0 HA ILE A 23 3.214 -2.965 4.590 1.00 0.22 H new ATOM 0 HB ILE A 23 1.430 -5.433 4.505 1.00 0.26 H new ATOM 0 HG12 ILE A 23 3.890 -4.771 2.847 1.00 0.40 H new ATOM 0 HG13 ILE A 23 3.873 -5.918 4.172 1.00 0.40 H new ATOM 0 HG21 ILE A 23 0.941 -4.643 2.223 1.00 0.42 H new ATOM 0 HG22 ILE A 23 0.479 -3.433 3.444 1.00 0.42 H new ATOM 0 HG23 ILE A 23 1.971 -3.218 2.497 1.00 0.42 H new ATOM 0 HD11 ILE A 23 3.695 -7.065 2.017 1.00 1.40 H new ATOM 0 HD12 ILE A 23 2.212 -7.298 2.972 1.00 1.40 H new ATOM 0 HD13 ILE A 23 2.230 -6.134 1.627 1.00 1.40 H new ATOM 369 N ASP A 24 0.967 -3.634 6.988 1.00 0.19 N ATOM 370 CA ASP A 24 -0.136 -2.973 7.706 1.00 0.19 C ATOM 371 C ASP A 24 0.301 -1.593 8.217 1.00 0.17 C ATOM 372 O ASP A 24 -0.426 -0.603 8.065 1.00 0.17 O ATOM 373 CB ASP A 24 -0.599 -3.839 8.879 1.00 0.20 C ATOM 374 CG ASP A 24 -1.824 -3.270 9.570 1.00 0.99 C ATOM 375 OD1 ASP A 24 -1.657 -2.464 10.508 1.00 0.94 O ATOM 376 OD2 ASP A 24 -2.951 -3.632 9.171 1.00 1.80 O ATOM 0 H ASP A 24 1.295 -4.509 7.396 1.00 0.19 H new ATOM 0 HA ASP A 24 -0.966 -2.841 7.011 1.00 0.19 H new ATOM 0 HB2 ASP A 24 -0.822 -4.844 8.520 1.00 0.20 H new ATOM 0 HB3 ASP A 24 0.212 -3.931 9.601 1.00 0.20 H new ATOM 381 N ASN A 25 1.493 -1.525 8.811 1.00 0.17 N ATOM 382 CA ASN A 25 2.026 -0.255 9.308 1.00 0.18 C ATOM 383 C ASN A 25 2.015 0.802 8.202 1.00 0.18 C ATOM 384 O ASN A 25 1.671 1.961 8.461 1.00 0.18 O ATOM 385 CB ASN A 25 3.442 -0.412 9.932 1.00 0.20 C ATOM 386 CG ASN A 25 3.997 0.932 10.487 1.00 0.22 C ATOM 387 OD1 ASN A 25 4.055 1.108 11.704 1.00 0.24 O ATOM 388 ND2 ASN A 25 4.392 1.901 9.608 1.00 0.25 N ATOM 0 H ASN A 25 2.104 -2.328 8.959 1.00 0.17 H new ATOM 0 HA ASN A 25 1.371 0.082 10.111 1.00 0.18 H new ATOM 0 HB2 ASN A 25 3.402 -1.146 10.737 1.00 0.20 H new ATOM 0 HB3 ASN A 25 4.127 -0.802 9.179 1.00 0.20 H new ATOM 0 HD21 ASN A 25 4.744 2.793 9.956 1.00 0.25 H new ATOM 0 HD22 ASN A 25 4.335 1.732 8.604 1.00 0.25 H new ATOM 395 N VAL A 26 2.385 0.436 6.965 1.00 0.20 N ATOM 396 CA VAL A 26 2.404 1.429 5.909 1.00 0.22 C ATOM 397 C VAL A 26 0.979 1.861 5.592 1.00 0.20 C ATOM 398 O VAL A 26 0.714 3.042 5.305 1.00 0.20 O ATOM 399 CB VAL A 26 3.061 0.893 4.619 1.00 0.28 C ATOM 400 CG1 VAL A 26 4.127 1.851 4.143 1.00 0.37 C ATOM 401 CG2 VAL A 26 3.667 -0.482 4.836 1.00 0.24 C ATOM 0 H VAL A 26 2.663 -0.506 6.689 1.00 0.20 H new ATOM 0 HA VAL A 26 2.995 2.273 6.265 1.00 0.22 H new ATOM 0 HB VAL A 26 2.284 0.806 3.860 1.00 0.28 H new ATOM 0 HG11 VAL A 26 4.584 1.463 3.233 1.00 0.37 H new ATOM 0 HG12 VAL A 26 3.678 2.823 3.938 1.00 0.37 H new ATOM 0 HG13 VAL A 26 4.890 1.959 4.914 1.00 0.37 H new ATOM 0 HG21 VAL A 26 4.121 -0.830 3.908 1.00 0.24 H new ATOM 0 HG22 VAL A 26 4.428 -0.425 5.614 1.00 0.24 H new ATOM 0 HG23 VAL A 26 2.887 -1.179 5.142 1.00 0.24 H new ATOM 411 N LYS A 27 0.051 0.907 5.693 1.00 0.19 N ATOM 412 CA LYS A 27 -1.355 1.213 5.469 1.00 0.20 C ATOM 413 C LYS A 27 -1.810 2.263 6.469 1.00 0.18 C ATOM 414 O LYS A 27 -2.742 3.024 6.205 1.00 0.18 O ATOM 415 CB LYS A 27 -2.255 -0.033 5.576 1.00 0.25 C ATOM 416 CG LYS A 27 -1.923 -1.106 4.553 1.00 0.60 C ATOM 417 CD LYS A 27 -2.891 -2.273 4.644 1.00 1.21 C ATOM 418 CE LYS A 27 -2.749 -3.214 3.461 1.00 2.13 C ATOM 419 NZ LYS A 27 -3.134 -2.557 2.183 1.00 2.91 N ATOM 0 H LYS A 27 0.247 -0.067 5.925 1.00 0.19 H new ATOM 0 HA LYS A 27 -1.450 1.592 4.451 1.00 0.20 H new ATOM 0 HB2 LYS A 27 -2.162 -0.454 6.577 1.00 0.25 H new ATOM 0 HB3 LYS A 27 -3.295 0.268 5.452 1.00 0.25 H new ATOM 0 HG2 LYS A 27 -1.958 -0.679 3.551 1.00 0.60 H new ATOM 0 HG3 LYS A 27 -0.905 -1.462 4.713 1.00 0.60 H new ATOM 0 HD2 LYS A 27 -2.713 -2.822 5.569 1.00 1.21 H new ATOM 0 HD3 LYS A 27 -3.913 -1.896 4.688 1.00 1.21 H new ATOM 0 HE2 LYS A 27 -1.718 -3.562 3.395 1.00 2.13 H new ATOM 0 HE3 LYS A 27 -3.372 -4.094 3.620 1.00 2.13 H new ATOM 0 HZ1 LYS A 27 -2.821 -3.143 1.383 1.00 2.91 H new ATOM 0 HZ2 LYS A 27 -4.167 -2.446 2.147 1.00 2.91 H new ATOM 0 HZ3 LYS A 27 -2.683 -1.621 2.124 1.00 2.91 H new ATOM 433 N SER A 28 -1.175 2.285 7.642 1.00 0.17 N ATOM 434 CA SER A 28 -1.565 3.269 8.656 1.00 0.18 C ATOM 435 C SER A 28 -0.857 4.618 8.482 1.00 0.18 C ATOM 436 O SER A 28 -1.471 5.645 8.775 1.00 0.19 O ATOM 437 CB SER A 28 -1.367 2.747 10.104 1.00 0.21 C ATOM 438 OG SER A 28 -0.176 1.990 10.218 1.00 0.22 O ATOM 0 H SER A 28 -0.416 1.658 7.909 1.00 0.17 H new ATOM 0 HA SER A 28 -2.631 3.428 8.497 1.00 0.18 H new ATOM 0 HB2 SER A 28 -1.333 3.589 10.795 1.00 0.21 H new ATOM 0 HB3 SER A 28 -2.220 2.133 10.392 1.00 0.21 H new ATOM 0 HG SER A 28 0.529 2.406 9.679 1.00 0.22 H new ATOM 444 N LYS A 29 0.413 4.672 8.022 1.00 0.19 N ATOM 445 CA LYS A 29 1.021 6.002 7.871 1.00 0.21 C ATOM 446 C LYS A 29 0.210 6.764 6.836 1.00 0.19 C ATOM 447 O LYS A 29 0.015 7.983 6.931 1.00 0.20 O ATOM 448 CB LYS A 29 2.534 5.969 7.439 1.00 0.25 C ATOM 449 CG LYS A 29 3.285 7.335 7.670 1.00 0.30 C ATOM 450 CD LYS A 29 4.819 7.201 7.890 1.00 0.36 C ATOM 451 CE LYS A 29 5.199 5.915 8.610 1.00 0.56 C ATOM 452 NZ LYS A 29 6.656 5.860 8.918 1.00 1.71 N ATOM 0 H LYS A 29 0.996 3.874 7.767 1.00 0.19 H new ATOM 0 HA LYS A 29 1.005 6.487 8.847 1.00 0.21 H new ATOM 0 HB2 LYS A 29 3.045 5.184 7.996 1.00 0.25 H new ATOM 0 HB3 LYS A 29 2.596 5.703 6.384 1.00 0.25 H new ATOM 0 HG2 LYS A 29 3.110 7.981 6.810 1.00 0.30 H new ATOM 0 HG3 LYS A 29 2.849 7.832 8.536 1.00 0.30 H new ATOM 0 HD2 LYS A 29 5.325 7.235 6.925 1.00 0.36 H new ATOM 0 HD3 LYS A 29 5.175 8.054 8.467 1.00 0.36 H new ATOM 0 HE2 LYS A 29 4.629 5.835 9.536 1.00 0.56 H new ATOM 0 HE3 LYS A 29 4.926 5.059 7.993 1.00 0.56 H new ATOM 0 HZ1 LYS A 29 6.874 4.969 9.408 1.00 1.71 H new ATOM 0 HZ2 LYS A 29 7.200 5.910 8.033 1.00 1.71 H new ATOM 0 HZ3 LYS A 29 6.912 6.662 9.528 1.00 1.71 H new ATOM 466 N ILE A 30 -0.300 6.014 5.858 1.00 0.17 N ATOM 467 CA ILE A 30 -1.138 6.625 4.844 1.00 0.17 C ATOM 468 C ILE A 30 -2.493 6.963 5.478 1.00 0.16 C ATOM 469 O ILE A 30 -2.983 8.072 5.280 1.00 0.17 O ATOM 470 CB ILE A 30 -1.310 5.736 3.575 1.00 0.19 C ATOM 471 CG1 ILE A 30 -2.079 4.459 3.902 1.00 0.81 C ATOM 472 CG2 ILE A 30 0.056 5.393 2.997 1.00 0.76 C ATOM 473 CD1 ILE A 30 -2.352 3.590 2.694 1.00 0.92 C ATOM 0 H ILE A 30 -0.149 5.011 5.753 1.00 0.17 H new ATOM 0 HA ILE A 30 -0.648 7.533 4.493 1.00 0.17 H new ATOM 0 HB ILE A 30 -1.884 6.296 2.836 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -1.514 3.882 4.634 1.00 0.81 H new ATOM 0 HG13 ILE A 30 -3.027 4.725 4.369 1.00 0.81 H new ATOM 0 HG21 ILE A 30 -0.070 4.772 2.110 1.00 0.76 H new ATOM 0 HG22 ILE A 30 0.577 6.311 2.726 1.00 0.76 H new ATOM 0 HG23 ILE A 30 0.640 4.850 3.741 1.00 0.76 H new ATOM 0 HD11 ILE A 30 -2.902 2.701 3.002 1.00 0.92 H new ATOM 0 HD12 ILE A 30 -2.944 4.149 1.970 1.00 0.92 H new ATOM 0 HD13 ILE A 30 -1.407 3.293 2.239 1.00 0.92 H new ATOM 485 N GLN A 31 -3.128 6.025 6.238 1.00 0.17 N ATOM 486 CA GLN A 31 -4.412 6.402 6.889 1.00 0.19 C ATOM 487 C GLN A 31 -4.284 7.788 7.614 1.00 0.20 C ATOM 488 O GLN A 31 -5.170 8.624 7.472 1.00 0.22 O ATOM 489 CB GLN A 31 -4.973 5.264 7.880 1.00 0.22 C ATOM 490 CG GLN A 31 -5.721 5.803 9.169 1.00 0.32 C ATOM 491 CD GLN A 31 -6.894 6.695 8.811 1.00 1.09 C ATOM 492 OE1 GLN A 31 -7.523 6.525 7.767 1.00 1.33 O ATOM 493 NE2 GLN A 31 -7.194 7.654 9.680 1.00 2.22 N ATOM 0 H GLN A 31 -2.802 5.073 6.406 1.00 0.17 H new ATOM 0 HA GLN A 31 -5.152 6.498 6.094 1.00 0.19 H new ATOM 0 HB2 GLN A 31 -5.657 4.624 7.323 1.00 0.22 H new ATOM 0 HB3 GLN A 31 -4.139 4.638 8.198 1.00 0.22 H new ATOM 0 HG2 GLN A 31 -6.074 4.960 9.763 1.00 0.32 H new ATOM 0 HG3 GLN A 31 -5.019 6.359 9.790 1.00 0.32 H new ATOM 0 HE21 GLN A 31 -6.645 7.759 10.533 1.00 2.22 H new ATOM 0 HE22 GLN A 31 -7.973 8.286 9.494 1.00 2.22 H new ATOM 502 N ASP A 32 -3.202 8.052 8.388 1.00 0.20 N ATOM 503 CA ASP A 32 -3.020 9.353 9.039 1.00 0.22 C ATOM 504 C ASP A 32 -2.899 10.489 8.026 1.00 0.21 C ATOM 505 O ASP A 32 -3.505 11.547 8.189 1.00 0.22 O ATOM 506 CB ASP A 32 -1.775 9.323 9.934 1.00 0.23 C ATOM 507 CG ASP A 32 -1.929 8.380 11.111 1.00 0.25 C ATOM 508 OD1 ASP A 32 -1.605 7.183 10.959 1.00 0.36 O ATOM 509 OD2 ASP A 32 -2.373 8.837 12.185 1.00 0.27 O ATOM 0 H ASP A 32 -2.455 7.382 8.569 1.00 0.20 H new ATOM 0 HA ASP A 32 -3.907 9.541 9.645 1.00 0.22 H new ATOM 0 HB2 ASP A 32 -0.912 9.021 9.341 1.00 0.23 H new ATOM 0 HB3 ASP A 32 -1.572 10.329 10.302 1.00 0.23 H new ATOM 514 N LYS A 33 -2.110 10.255 6.981 1.00 0.19 N ATOM 515 CA LYS A 33 -1.870 11.316 5.957 1.00 0.19 C ATOM 516 C LYS A 33 -3.110 11.599 5.095 1.00 0.18 C ATOM 517 O LYS A 33 -3.594 12.732 5.080 1.00 0.19 O ATOM 518 CB LYS A 33 -0.645 11.002 5.035 1.00 0.22 C ATOM 519 CG LYS A 33 0.154 12.249 4.558 1.00 0.31 C ATOM 520 CD LYS A 33 0.965 11.999 3.259 1.00 0.39 C ATOM 521 CE LYS A 33 1.869 13.193 2.889 1.00 0.81 C ATOM 522 NZ LYS A 33 1.277 14.489 3.325 1.00 1.81 N ATOM 0 H LYS A 33 -1.629 9.372 6.806 1.00 0.19 H new ATOM 0 HA LYS A 33 -1.641 12.214 6.531 1.00 0.19 H new ATOM 0 HB2 LYS A 33 0.033 10.337 5.570 1.00 0.22 H new ATOM 0 HB3 LYS A 33 -0.998 10.458 4.159 1.00 0.22 H new ATOM 0 HG2 LYS A 33 -0.539 13.074 4.392 1.00 0.31 H new ATOM 0 HG3 LYS A 33 0.836 12.559 5.350 1.00 0.31 H new ATOM 0 HD2 LYS A 33 1.579 11.107 3.384 1.00 0.39 H new ATOM 0 HD3 LYS A 33 0.277 11.800 2.437 1.00 0.39 H new ATOM 0 HE2 LYS A 33 2.847 13.066 3.352 1.00 0.81 H new ATOM 0 HE3 LYS A 33 2.027 13.210 1.811 1.00 0.81 H new ATOM 0 HZ1 LYS A 33 1.811 15.275 2.901 1.00 1.81 H new ATOM 0 HZ2 LYS A 33 0.285 14.539 3.017 1.00 1.81 H new ATOM 0 HZ3 LYS A 33 1.321 14.560 4.362 1.00 1.81 H new ATOM 536 N GLU A 34 -3.633 10.600 4.378 1.00 0.17 N ATOM 537 CA GLU A 34 -4.798 10.851 3.494 1.00 0.18 C ATOM 538 C GLU A 34 -6.099 10.246 4.072 1.00 0.21 C ATOM 539 O GLU A 34 -7.186 10.648 3.657 1.00 0.24 O ATOM 540 CB GLU A 34 -4.543 10.318 2.038 1.00 0.22 C ATOM 541 CG GLU A 34 -5.668 10.579 1.011 1.00 0.65 C ATOM 542 CD GLU A 34 -5.795 12.052 0.677 1.00 1.79 C ATOM 543 OE1 GLU A 34 -4.950 12.564 -0.085 1.00 2.29 O ATOM 544 OE2 GLU A 34 -6.742 12.695 1.179 1.00 2.37 O ATOM 0 H GLU A 34 -3.291 9.639 4.382 1.00 0.17 H new ATOM 0 HA GLU A 34 -4.926 11.932 3.443 1.00 0.18 H new ATOM 0 HB2 GLU A 34 -3.625 10.770 1.663 1.00 0.22 H new ATOM 0 HB3 GLU A 34 -4.370 9.243 2.092 1.00 0.22 H new ATOM 0 HG2 GLU A 34 -5.466 10.016 0.100 1.00 0.65 H new ATOM 0 HG3 GLU A 34 -6.615 10.213 1.408 1.00 0.65 H new ATOM 551 N GLY A 35 -6.017 9.292 5.028 1.00 0.22 N ATOM 552 CA GLY A 35 -7.244 8.755 5.608 1.00 0.26 C ATOM 553 C GLY A 35 -7.802 7.439 4.995 1.00 0.29 C ATOM 554 O GLY A 35 -8.956 7.128 5.291 1.00 0.35 O ATOM 0 H GLY A 35 -5.149 8.900 5.394 1.00 0.22 H new ATOM 0 HA2 GLY A 35 -7.070 8.586 6.671 1.00 0.26 H new ATOM 0 HA3 GLY A 35 -8.017 9.519 5.530 1.00 0.26 H new ATOM 558 N ILE A 36 -7.074 6.627 4.154 1.00 0.27 N ATOM 559 CA ILE A 36 -7.722 5.397 3.645 1.00 0.32 C ATOM 560 C ILE A 36 -7.710 4.336 4.756 1.00 0.31 C ATOM 561 O ILE A 36 -6.645 3.997 5.273 1.00 0.26 O ATOM 562 CB ILE A 36 -7.061 4.821 2.329 1.00 0.34 C ATOM 563 CG1 ILE A 36 -7.997 3.862 1.634 1.00 0.42 C ATOM 564 CG2 ILE A 36 -5.730 4.096 2.596 1.00 0.30 C ATOM 565 CD1 ILE A 36 -7.510 3.479 0.256 1.00 0.95 C ATOM 0 H ILE A 36 -6.117 6.793 3.843 1.00 0.27 H new ATOM 0 HA ILE A 36 -8.742 5.662 3.368 1.00 0.32 H new ATOM 0 HB ILE A 36 -6.860 5.684 1.695 1.00 0.34 H new ATOM 0 HG12 ILE A 36 -8.108 2.963 2.240 1.00 0.42 H new ATOM 0 HG13 ILE A 36 -8.985 4.316 1.554 1.00 0.42 H new ATOM 0 HG21 ILE A 36 -5.324 3.723 1.656 1.00 0.30 H new ATOM 0 HG22 ILE A 36 -5.021 4.791 3.047 1.00 0.30 H new ATOM 0 HG23 ILE A 36 -5.901 3.260 3.275 1.00 0.30 H new ATOM 0 HD11 ILE A 36 -8.218 2.788 -0.201 1.00 0.95 H new ATOM 0 HD12 ILE A 36 -7.425 4.373 -0.361 1.00 0.95 H new ATOM 0 HD13 ILE A 36 -6.535 2.999 0.335 1.00 0.95 H new ATOM 577 N PRO A 37 -8.881 3.823 5.186 1.00 0.37 N ATOM 578 CA PRO A 37 -8.929 2.800 6.246 1.00 0.39 C ATOM 579 C PRO A 37 -8.083 1.578 5.850 1.00 0.36 C ATOM 580 O PRO A 37 -8.336 0.975 4.804 1.00 0.35 O ATOM 581 CB PRO A 37 -10.447 2.419 6.275 1.00 0.45 C ATOM 582 CG PRO A 37 -11.123 3.655 5.796 1.00 0.49 C ATOM 583 CD PRO A 37 -10.228 4.203 4.719 1.00 0.45 C ATOM 0 HA PRO A 37 -8.542 3.144 7.205 1.00 0.39 H new ATOM 0 HB2 PRO A 37 -10.660 1.568 5.628 1.00 0.45 H new ATOM 0 HB3 PRO A 37 -10.773 2.146 7.278 1.00 0.45 H new ATOM 0 HG2 PRO A 37 -12.117 3.434 5.407 1.00 0.49 H new ATOM 0 HG3 PRO A 37 -11.250 4.373 6.606 1.00 0.49 H new ATOM 0 HD2 PRO A 37 -10.455 3.769 3.745 1.00 0.45 H new ATOM 0 HD3 PRO A 37 -10.331 5.283 4.619 1.00 0.45 H new ATOM 591 N PRO A 38 -7.098 1.154 6.684 1.00 0.35 N ATOM 592 CA PRO A 38 -6.244 0.018 6.328 1.00 0.33 C ATOM 593 C PRO A 38 -7.027 -1.277 6.024 1.00 0.32 C ATOM 594 O PRO A 38 -6.686 -1.971 5.067 1.00 0.32 O ATOM 595 CB PRO A 38 -5.241 -0.134 7.522 1.00 0.34 C ATOM 596 CG PRO A 38 -5.931 0.629 8.698 1.00 0.36 C ATOM 597 CD PRO A 38 -6.748 1.743 7.996 1.00 0.38 C ATOM 0 HA PRO A 38 -5.722 0.204 5.390 1.00 0.33 H new ATOM 0 HB2 PRO A 38 -5.073 -1.182 7.771 1.00 0.34 H new ATOM 0 HB3 PRO A 38 -4.269 0.297 7.283 1.00 0.34 H new ATOM 0 HG2 PRO A 38 -6.574 -0.032 9.279 1.00 0.36 H new ATOM 0 HG3 PRO A 38 -5.197 1.047 9.387 1.00 0.36 H new ATOM 0 HD2 PRO A 38 -7.639 2.005 8.567 1.00 0.38 H new ATOM 0 HD3 PRO A 38 -6.163 2.656 7.881 1.00 0.38 H new ATOM 605 N ASP A 39 -8.062 -1.631 6.809 1.00 0.32 N ATOM 606 CA ASP A 39 -8.805 -2.864 6.526 1.00 0.35 C ATOM 607 C ASP A 39 -9.694 -2.724 5.292 1.00 0.37 C ATOM 608 O ASP A 39 -10.097 -3.724 4.699 1.00 0.40 O ATOM 609 CB ASP A 39 -9.655 -3.298 7.732 1.00 0.39 C ATOM 610 CG ASP A 39 -10.270 -4.669 7.530 1.00 0.45 C ATOM 611 OD1 ASP A 39 -9.554 -5.675 7.722 1.00 0.47 O ATOM 612 OD2 ASP A 39 -11.466 -4.738 7.178 1.00 0.49 O ATOM 0 H ASP A 39 -8.391 -1.100 7.615 1.00 0.32 H new ATOM 0 HA ASP A 39 -8.060 -3.634 6.326 1.00 0.35 H new ATOM 0 HB2 ASP A 39 -9.035 -3.308 8.628 1.00 0.39 H new ATOM 0 HB3 ASP A 39 -10.446 -2.567 7.900 1.00 0.39 H new ATOM 617 N GLN A 40 -10.003 -1.486 4.906 1.00 0.37 N ATOM 618 CA GLN A 40 -10.854 -1.252 3.735 1.00 0.40 C ATOM 619 C GLN A 40 -9.991 -0.827 2.539 1.00 0.37 C ATOM 620 O GLN A 40 -10.497 -0.347 1.525 1.00 0.37 O ATOM 621 CB GLN A 40 -11.930 -0.172 4.116 1.00 0.44 C ATOM 622 CG GLN A 40 -12.519 0.691 2.977 1.00 0.91 C ATOM 623 CD GLN A 40 -13.377 -0.122 2.031 1.00 1.46 C ATOM 624 OE1 GLN A 40 -14.000 -1.102 2.432 1.00 1.94 O ATOM 625 NE2 GLN A 40 -13.416 0.285 0.770 1.00 2.07 N ATOM 0 H GLN A 40 -9.683 -0.640 5.378 1.00 0.37 H new ATOM 0 HA GLN A 40 -11.373 -2.164 3.438 1.00 0.40 H new ATOM 0 HB2 GLN A 40 -12.756 -0.682 4.611 1.00 0.44 H new ATOM 0 HB3 GLN A 40 -11.485 0.500 4.850 1.00 0.44 H new ATOM 0 HG2 GLN A 40 -13.116 1.497 3.405 1.00 0.91 H new ATOM 0 HG3 GLN A 40 -11.707 1.157 2.419 1.00 0.91 H new ATOM 0 HE21 GLN A 40 -12.882 1.105 0.482 1.00 2.07 H new ATOM 0 HE22 GLN A 40 -13.980 -0.222 0.088 1.00 2.07 H new ATOM 634 N GLN A 41 -8.679 -1.048 2.645 1.00 0.35 N ATOM 635 CA GLN A 41 -7.759 -0.650 1.558 1.00 0.32 C ATOM 636 C GLN A 41 -6.871 -1.847 1.150 1.00 0.28 C ATOM 637 O GLN A 41 -6.323 -2.519 2.024 1.00 0.30 O ATOM 638 CB GLN A 41 -6.926 0.599 1.979 1.00 0.40 C ATOM 639 CG GLN A 41 -5.467 0.325 2.553 1.00 0.40 C ATOM 640 CD GLN A 41 -4.411 0.280 1.447 1.00 0.67 C ATOM 641 OE1 GLN A 41 -4.689 -0.194 0.347 1.00 1.17 O ATOM 642 NE2 GLN A 41 -3.185 0.778 1.716 1.00 0.82 N ATOM 0 H GLN A 41 -8.230 -1.489 3.448 1.00 0.35 H new ATOM 0 HA GLN A 41 -8.336 -0.362 0.679 1.00 0.32 H new ATOM 0 HB2 GLN A 41 -6.833 1.254 1.113 1.00 0.40 H new ATOM 0 HB3 GLN A 41 -7.491 1.146 2.733 1.00 0.40 H new ATOM 0 HG2 GLN A 41 -5.208 1.105 3.269 1.00 0.40 H new ATOM 0 HG3 GLN A 41 -5.463 -0.620 3.096 1.00 0.40 H new ATOM 0 HE21 GLN A 41 -2.983 1.165 2.638 1.00 0.82 H new ATOM 0 HE22 GLN A 41 -2.461 0.767 0.997 1.00 0.82 H new ATOM 651 N ARG A 42 -6.717 -2.132 -0.161 1.00 0.24 N ATOM 652 CA ARG A 42 -5.935 -3.301 -0.581 1.00 0.22 C ATOM 653 C ARG A 42 -4.774 -2.928 -1.513 1.00 0.20 C ATOM 654 O ARG A 42 -4.953 -2.379 -2.590 1.00 0.21 O ATOM 655 CB ARG A 42 -6.863 -4.385 -1.265 1.00 0.23 C ATOM 656 CG ARG A 42 -6.100 -5.456 -2.123 1.00 0.26 C ATOM 657 CD ARG A 42 -5.729 -6.723 -1.327 1.00 0.53 C ATOM 658 NE ARG A 42 -6.914 -7.479 -0.928 1.00 0.74 N ATOM 659 CZ ARG A 42 -6.986 -8.211 0.181 1.00 1.39 C ATOM 660 NH1 ARG A 42 -5.955 -8.262 1.015 1.00 2.22 N ATOM 661 NH2 ARG A 42 -8.091 -8.888 0.459 1.00 1.56 N ATOM 0 H ARG A 42 -7.114 -1.582 -0.923 1.00 0.24 H new ATOM 0 HA ARG A 42 -5.500 -3.726 0.323 1.00 0.22 H new ATOM 0 HB2 ARG A 42 -7.431 -4.899 -0.489 1.00 0.23 H new ATOM 0 HB3 ARG A 42 -7.584 -3.875 -1.903 1.00 0.23 H new ATOM 0 HG2 ARG A 42 -6.720 -5.738 -2.974 1.00 0.26 H new ATOM 0 HG3 ARG A 42 -5.191 -5.009 -2.525 1.00 0.26 H new ATOM 0 HD2 ARG A 42 -5.081 -7.356 -1.933 1.00 0.53 H new ATOM 0 HD3 ARG A 42 -5.161 -6.442 -0.440 1.00 0.53 H new ATOM 0 HE ARG A 42 -7.733 -7.444 -1.535 1.00 0.74 H new ATOM 0 HH11 ARG A 42 -5.104 -7.739 0.807 1.00 2.22 H new ATOM 0 HH12 ARG A 42 -6.013 -8.824 1.864 1.00 2.22 H new ATOM 0 HH21 ARG A 42 -8.887 -8.848 -0.177 1.00 1.56 H new ATOM 0 HH22 ARG A 42 -8.145 -9.449 1.309 1.00 1.56 H new ATOM 675 N LEU A 43 -3.588 -3.285 -1.078 1.00 0.19 N ATOM 676 CA LEU A 43 -2.351 -3.038 -1.862 1.00 0.18 C ATOM 677 C LEU A 43 -2.046 -4.268 -2.718 1.00 0.18 C ATOM 678 O LEU A 43 -1.930 -5.382 -2.205 1.00 0.19 O ATOM 679 CB LEU A 43 -1.112 -2.710 -0.978 1.00 0.19 C ATOM 680 CG LEU A 43 -1.183 -1.402 -0.215 1.00 0.21 C ATOM 681 CD1 LEU A 43 0.184 -1.089 0.343 1.00 0.26 C ATOM 682 CD2 LEU A 43 -1.662 -0.278 -1.112 1.00 0.19 C ATOM 0 H LEU A 43 -3.430 -3.751 -0.184 1.00 0.19 H new ATOM 0 HA LEU A 43 -2.538 -2.160 -2.481 1.00 0.18 H new ATOM 0 HB2 LEU A 43 -0.973 -3.521 -0.263 1.00 0.19 H new ATOM 0 HB3 LEU A 43 -0.228 -2.692 -1.615 1.00 0.19 H new ATOM 0 HG LEU A 43 -1.899 -1.499 0.601 1.00 0.21 H new ATOM 0 HD11 LEU A 43 0.146 -0.150 0.894 1.00 0.26 H new ATOM 0 HD12 LEU A 43 0.496 -1.890 1.013 1.00 0.26 H new ATOM 0 HD13 LEU A 43 0.899 -1.001 -0.475 1.00 0.26 H new ATOM 0 HD21 LEU A 43 -1.705 0.650 -0.542 1.00 0.19 H new ATOM 0 HD22 LEU A 43 -0.971 -0.159 -1.947 1.00 0.19 H new ATOM 0 HD23 LEU A 43 -2.655 -0.515 -1.494 1.00 0.19 H new ATOM 694 N ILE A 44 -1.978 -4.053 -4.026 1.00 0.19 N ATOM 695 CA ILE A 44 -1.739 -5.125 -5.002 1.00 0.21 C ATOM 696 C ILE A 44 -0.542 -4.863 -5.947 1.00 0.25 C ATOM 697 O ILE A 44 -0.270 -3.719 -6.312 1.00 0.26 O ATOM 698 CB ILE A 44 -3.029 -5.325 -5.852 1.00 0.23 C ATOM 699 CG1 ILE A 44 -2.796 -6.259 -7.054 1.00 0.47 C ATOM 700 CG2 ILE A 44 -3.573 -3.984 -6.331 1.00 0.39 C ATOM 701 CD1 ILE A 44 -3.467 -7.576 -6.837 1.00 0.63 C ATOM 0 H ILE A 44 -2.086 -3.130 -4.447 1.00 0.19 H new ATOM 0 HA ILE A 44 -1.487 -6.019 -4.431 1.00 0.21 H new ATOM 0 HB ILE A 44 -3.765 -5.800 -5.203 1.00 0.23 H new ATOM 0 HG12 ILE A 44 -3.181 -5.794 -7.962 1.00 0.47 H new ATOM 0 HG13 ILE A 44 -1.727 -6.410 -7.202 1.00 0.47 H new ATOM 0 HG21 ILE A 44 -4.474 -4.147 -6.923 1.00 0.39 H new ATOM 0 HG22 ILE A 44 -3.812 -3.360 -5.470 1.00 0.39 H new ATOM 0 HG23 ILE A 44 -2.822 -3.485 -6.943 1.00 0.39 H new ATOM 0 HD11 ILE A 44 -3.290 -8.221 -7.698 1.00 0.63 H new ATOM 0 HD12 ILE A 44 -3.062 -8.047 -5.941 1.00 0.63 H new ATOM 0 HD13 ILE A 44 -4.539 -7.422 -6.713 1.00 0.63 H new ATOM 713 N PHE A 45 0.168 -5.944 -6.335 1.00 0.28 N ATOM 714 CA PHE A 45 1.336 -5.832 -7.267 1.00 0.35 C ATOM 715 C PHE A 45 1.327 -7.034 -8.270 1.00 0.38 C ATOM 716 O PHE A 45 1.358 -8.186 -7.835 1.00 0.38 O ATOM 717 CB PHE A 45 2.703 -5.765 -6.466 1.00 0.40 C ATOM 718 CG PHE A 45 3.963 -5.562 -7.338 1.00 0.57 C ATOM 719 CD1 PHE A 45 3.886 -5.051 -8.645 1.00 0.64 C ATOM 720 CD2 PHE A 45 5.245 -5.818 -6.826 1.00 0.90 C ATOM 721 CE1 PHE A 45 5.031 -4.809 -9.395 1.00 0.76 C ATOM 722 CE2 PHE A 45 6.381 -5.586 -7.594 1.00 1.08 C ATOM 723 CZ PHE A 45 6.270 -5.083 -8.869 1.00 0.96 C ATOM 0 H PHE A 45 -0.034 -6.896 -6.029 1.00 0.28 H new ATOM 0 HA PHE A 45 1.247 -4.904 -7.831 1.00 0.35 H new ATOM 0 HB2 PHE A 45 2.644 -4.950 -5.744 1.00 0.40 H new ATOM 0 HB3 PHE A 45 2.818 -6.687 -5.897 1.00 0.40 H new ATOM 0 HD1 PHE A 45 2.918 -4.842 -9.075 1.00 0.64 H new ATOM 0 HD2 PHE A 45 5.350 -6.201 -5.822 1.00 0.90 H new ATOM 0 HE1 PHE A 45 4.946 -4.405 -10.393 1.00 0.76 H new ATOM 0 HE2 PHE A 45 7.357 -5.802 -7.186 1.00 1.08 H new ATOM 0 HZ PHE A 45 7.158 -4.903 -9.457 1.00 0.96 H new ATOM 733 N ALA A 46 1.290 -6.772 -9.604 1.00 0.43 N ATOM 734 CA ALA A 46 1.256 -7.838 -10.625 1.00 0.47 C ATOM 735 C ALA A 46 0.215 -8.929 -10.350 1.00 0.43 C ATOM 736 O ALA A 46 0.542 -10.116 -10.327 1.00 0.45 O ATOM 737 CB ALA A 46 2.644 -8.477 -10.791 1.00 0.54 C ATOM 0 H ALA A 46 1.283 -5.828 -9.991 1.00 0.43 H new ATOM 0 HA ALA A 46 0.956 -7.346 -11.550 1.00 0.47 H new ATOM 0 HB1 ALA A 46 2.596 -9.260 -11.548 1.00 0.54 H new ATOM 0 HB2 ALA A 46 3.360 -7.716 -11.101 1.00 0.54 H new ATOM 0 HB3 ALA A 46 2.962 -8.909 -9.842 1.00 0.54 H new ATOM 743 N GLY A 47 -1.038 -8.526 -10.139 1.00 0.39 N ATOM 744 CA GLY A 47 -2.115 -9.510 -9.933 1.00 0.36 C ATOM 745 C GLY A 47 -2.009 -10.303 -8.627 1.00 0.31 C ATOM 746 O GLY A 47 -2.648 -11.348 -8.511 1.00 0.31 O ATOM 0 H GLY A 47 -1.334 -7.550 -10.105 1.00 0.39 H new ATOM 0 HA2 GLY A 47 -3.073 -8.990 -9.951 1.00 0.36 H new ATOM 0 HA3 GLY A 47 -2.116 -10.209 -10.769 1.00 0.36 H new ATOM 750 N LYS A 48 -1.226 -9.843 -7.635 1.00 0.30 N ATOM 751 CA LYS A 48 -1.150 -10.584 -6.351 1.00 0.27 C ATOM 752 C LYS A 48 -1.521 -9.643 -5.200 1.00 0.24 C ATOM 753 O LYS A 48 -1.186 -8.456 -5.221 1.00 0.23 O ATOM 754 CB LYS A 48 0.253 -11.219 -6.127 1.00 0.30 C ATOM 755 CG LYS A 48 0.651 -12.317 -7.154 1.00 0.35 C ATOM 756 CD LYS A 48 2.147 -12.655 -7.084 1.00 0.98 C ATOM 757 CE LYS A 48 2.529 -13.837 -7.993 1.00 1.07 C ATOM 758 NZ LYS A 48 1.459 -14.873 -8.036 1.00 1.14 N ATOM 0 H LYS A 48 -0.657 -8.998 -7.685 1.00 0.30 H new ATOM 0 HA LYS A 48 -1.861 -11.409 -6.386 1.00 0.27 H new ATOM 0 HB2 LYS A 48 1.002 -10.428 -6.156 1.00 0.30 H new ATOM 0 HB3 LYS A 48 0.284 -11.651 -5.127 1.00 0.30 H new ATOM 0 HG2 LYS A 48 0.067 -13.218 -6.966 1.00 0.35 H new ATOM 0 HG3 LYS A 48 0.402 -11.980 -8.160 1.00 0.35 H new ATOM 0 HD2 LYS A 48 2.728 -11.778 -7.371 1.00 0.98 H new ATOM 0 HD3 LYS A 48 2.415 -12.892 -6.054 1.00 0.98 H new ATOM 0 HE2 LYS A 48 2.722 -13.472 -9.002 1.00 1.07 H new ATOM 0 HE3 LYS A 48 3.455 -14.286 -7.634 1.00 1.07 H new ATOM 0 HZ1 LYS A 48 1.838 -15.746 -8.455 1.00 1.14 H new ATOM 0 HZ2 LYS A 48 1.126 -15.069 -7.070 1.00 1.14 H new ATOM 0 HZ3 LYS A 48 0.665 -14.528 -8.613 1.00 1.14 H new ATOM 772 N GLN A 49 -2.192 -10.194 -4.187 1.00 0.23 N ATOM 773 CA GLN A 49 -2.694 -9.412 -3.057 1.00 0.22 C ATOM 774 C GLN A 49 -1.727 -9.417 -1.873 1.00 0.21 C ATOM 775 O GLN A 49 -1.186 -10.450 -1.479 1.00 0.24 O ATOM 776 CB GLN A 49 -4.116 -9.912 -2.673 1.00 0.27 C ATOM 777 CG GLN A 49 -4.439 -9.995 -1.173 1.00 0.84 C ATOM 778 CD GLN A 49 -3.649 -11.071 -0.451 1.00 1.79 C ATOM 779 OE1 GLN A 49 -3.319 -12.108 -1.028 1.00 2.45 O ATOM 780 NE2 GLN A 49 -3.338 -10.827 0.817 1.00 2.51 N ATOM 0 H GLN A 49 -2.402 -11.190 -4.127 1.00 0.23 H new ATOM 0 HA GLN A 49 -2.769 -8.368 -3.360 1.00 0.22 H new ATOM 0 HB2 GLN A 49 -4.846 -9.252 -3.142 1.00 0.27 H new ATOM 0 HB3 GLN A 49 -4.257 -10.902 -3.106 1.00 0.27 H new ATOM 0 HG2 GLN A 49 -4.234 -9.030 -0.710 1.00 0.84 H new ATOM 0 HG3 GLN A 49 -5.504 -10.189 -1.047 1.00 0.84 H new ATOM 0 HE21 GLN A 49 -3.632 -9.954 1.255 1.00 2.51 H new ATOM 0 HE22 GLN A 49 -2.805 -11.512 1.352 1.00 2.51 H new ATOM 789 N LEU A 50 -1.513 -8.215 -1.345 1.00 0.18 N ATOM 790 CA LEU A 50 -0.567 -7.981 -0.238 1.00 0.18 C ATOM 791 C LEU A 50 -1.279 -8.210 1.097 1.00 0.18 C ATOM 792 O LEU A 50 -2.380 -7.701 1.311 1.00 0.18 O ATOM 793 CB LEU A 50 0.061 -6.523 -0.290 1.00 0.20 C ATOM 794 CG LEU A 50 0.934 -6.140 -1.544 1.00 0.29 C ATOM 795 CD1 LEU A 50 2.396 -6.473 -1.313 1.00 0.84 C ATOM 796 CD2 LEU A 50 0.453 -6.849 -2.809 1.00 0.77 C ATOM 0 H LEU A 50 -1.986 -7.371 -1.667 1.00 0.18 H new ATOM 0 HA LEU A 50 0.257 -8.687 -0.341 1.00 0.18 H new ATOM 0 HB2 LEU A 50 -0.756 -5.805 -0.219 1.00 0.20 H new ATOM 0 HB3 LEU A 50 0.678 -6.393 0.599 1.00 0.20 H new ATOM 0 HG LEU A 50 0.824 -5.065 -1.684 1.00 0.29 H new ATOM 0 HD11 LEU A 50 2.975 -6.198 -2.194 1.00 0.84 H new ATOM 0 HD12 LEU A 50 2.764 -5.918 -0.450 1.00 0.84 H new ATOM 0 HD13 LEU A 50 2.501 -7.542 -1.129 1.00 0.84 H new ATOM 0 HD21 LEU A 50 1.081 -6.558 -3.651 1.00 0.77 H new ATOM 0 HD22 LEU A 50 0.514 -7.928 -2.667 1.00 0.77 H new ATOM 0 HD23 LEU A 50 -0.580 -6.568 -3.013 1.00 0.77 H new ATOM 808 N GLU A 51 -0.653 -8.973 1.994 1.00 0.17 N ATOM 809 CA GLU A 51 -1.251 -9.286 3.275 1.00 0.17 C ATOM 810 C GLU A 51 -0.649 -8.389 4.339 1.00 0.17 C ATOM 811 O GLU A 51 0.567 -8.334 4.521 1.00 0.18 O ATOM 812 CB GLU A 51 -0.958 -10.760 3.674 1.00 0.17 C ATOM 813 CG GLU A 51 -2.026 -11.468 4.529 1.00 0.67 C ATOM 814 CD GLU A 51 -2.486 -10.625 5.703 1.00 1.19 C ATOM 815 OE1 GLU A 51 -3.373 -9.769 5.508 1.00 1.49 O ATOM 816 OE2 GLU A 51 -1.952 -10.818 6.816 1.00 1.45 O ATOM 0 H GLU A 51 0.270 -9.382 1.848 1.00 0.17 H new ATOM 0 HA GLU A 51 -2.328 -9.135 3.196 1.00 0.17 H new ATOM 0 HB2 GLU A 51 -0.814 -11.338 2.761 1.00 0.17 H new ATOM 0 HB3 GLU A 51 -0.014 -10.784 4.219 1.00 0.17 H new ATOM 0 HG2 GLU A 51 -2.884 -11.712 3.903 1.00 0.67 H new ATOM 0 HG3 GLU A 51 -1.623 -12.411 4.899 1.00 0.67 H new ATOM 823 N ASP A 52 -1.524 -7.669 5.003 1.00 0.19 N ATOM 824 CA ASP A 52 -1.154 -6.757 6.075 1.00 0.23 C ATOM 825 C ASP A 52 -0.093 -7.368 6.990 1.00 0.24 C ATOM 826 O ASP A 52 0.674 -6.646 7.626 1.00 0.30 O ATOM 827 CB ASP A 52 -2.400 -6.397 6.904 1.00 0.26 C ATOM 828 CG ASP A 52 -3.495 -5.774 6.062 1.00 0.29 C ATOM 829 OD1 ASP A 52 -4.024 -6.468 5.166 1.00 0.72 O ATOM 830 OD2 ASP A 52 -3.831 -4.596 6.301 1.00 0.84 O ATOM 0 H ASP A 52 -2.526 -7.696 4.816 1.00 0.19 H new ATOM 0 HA ASP A 52 -0.735 -5.859 5.621 1.00 0.23 H new ATOM 0 HB2 ASP A 52 -2.784 -7.296 7.387 1.00 0.26 H new ATOM 0 HB3 ASP A 52 -2.118 -5.705 7.697 1.00 0.26 H new ATOM 835 N GLY A 53 -0.060 -8.703 7.057 1.00 0.20 N ATOM 836 CA GLY A 53 0.893 -9.372 7.944 1.00 0.22 C ATOM 837 C GLY A 53 2.197 -9.907 7.290 1.00 0.25 C ATOM 838 O GLY A 53 3.078 -10.327 8.040 1.00 0.28 O ATOM 0 H GLY A 53 -0.665 -9.326 6.523 1.00 0.20 H new ATOM 0 HA2 GLY A 53 1.170 -8.674 8.734 1.00 0.22 H new ATOM 0 HA3 GLY A 53 0.384 -10.209 8.422 1.00 0.22 H new ATOM 842 N ARG A 54 2.382 -9.925 5.933 1.00 0.27 N ATOM 843 CA ARG A 54 3.689 -10.431 5.412 1.00 0.32 C ATOM 844 C ARG A 54 4.633 -9.227 5.333 1.00 0.32 C ATOM 845 O ARG A 54 4.149 -8.099 5.235 1.00 0.31 O ATOM 846 CB ARG A 54 3.564 -11.063 3.944 1.00 0.37 C ATOM 847 CG ARG A 54 4.963 -11.199 3.096 1.00 0.96 C ATOM 848 CD ARG A 54 5.918 -12.413 3.476 1.00 1.95 C ATOM 849 NE ARG A 54 5.772 -12.792 4.879 1.00 2.48 N ATOM 850 CZ ARG A 54 6.109 -13.986 5.361 1.00 3.39 C ATOM 851 NH1 ARG A 54 6.610 -14.913 4.556 1.00 3.81 N ATOM 852 NH2 ARG A 54 5.945 -14.251 6.649 1.00 3.98 N ATOM 0 H ARG A 54 1.705 -9.622 5.233 1.00 0.27 H new ATOM 0 HA ARG A 54 4.050 -11.216 6.077 1.00 0.32 H new ATOM 0 HB2 ARG A 54 3.119 -12.054 4.034 1.00 0.37 H new ATOM 0 HB3 ARG A 54 2.870 -10.453 3.366 1.00 0.37 H new ATOM 0 HG2 ARG A 54 4.712 -11.282 2.039 1.00 0.96 H new ATOM 0 HG3 ARG A 54 5.525 -10.273 3.218 1.00 0.96 H new ATOM 0 HD2 ARG A 54 5.689 -13.269 2.841 1.00 1.95 H new ATOM 0 HD3 ARG A 54 6.954 -12.138 3.279 1.00 1.95 H new ATOM 0 HE ARG A 54 5.390 -12.102 5.526 1.00 2.48 H new ATOM 0 HH11 ARG A 54 6.738 -14.712 3.564 1.00 3.81 H new ATOM 0 HH12 ARG A 54 6.867 -15.827 4.929 1.00 3.81 H new ATOM 0 HH21 ARG A 54 5.560 -13.540 7.271 1.00 3.98 H new ATOM 0 HH22 ARG A 54 6.203 -15.166 7.018 1.00 3.98 H new ATOM 866 N THR A 55 5.962 -9.416 5.373 1.00 0.35 N ATOM 867 CA THR A 55 6.818 -8.240 5.263 1.00 0.38 C ATOM 868 C THR A 55 7.079 -7.940 3.766 1.00 0.42 C ATOM 869 O THR A 55 7.155 -8.851 2.941 1.00 0.44 O ATOM 870 CB THR A 55 8.142 -8.417 6.062 1.00 0.44 C ATOM 871 OG1 THR A 55 7.845 -8.512 7.460 1.00 0.81 O ATOM 872 CG2 THR A 55 9.085 -7.246 5.835 1.00 0.65 C ATOM 0 H THR A 55 6.437 -10.313 5.474 1.00 0.35 H new ATOM 0 HA THR A 55 6.309 -7.385 5.708 1.00 0.38 H new ATOM 0 HB THR A 55 8.629 -9.327 5.713 1.00 0.44 H new ATOM 0 HG1 THR A 55 8.678 -8.625 7.964 1.00 0.81 H new ATOM 0 HG21 THR A 55 10.000 -7.400 6.407 1.00 0.65 H new ATOM 0 HG22 THR A 55 9.327 -7.174 4.775 1.00 0.65 H new ATOM 0 HG23 THR A 55 8.604 -6.323 6.161 1.00 0.65 H new ATOM 880 N LEU A 56 7.222 -6.647 3.443 1.00 0.43 N ATOM 881 CA LEU A 56 7.370 -6.200 2.046 1.00 0.49 C ATOM 882 C LEU A 56 8.689 -6.661 1.385 1.00 0.53 C ATOM 883 O LEU A 56 8.803 -6.605 0.161 1.00 0.59 O ATOM 884 CB LEU A 56 7.074 -4.662 1.880 1.00 0.51 C ATOM 885 CG LEU A 56 7.374 -3.757 3.100 1.00 0.51 C ATOM 886 CD1 LEU A 56 8.600 -2.898 2.849 1.00 0.50 C ATOM 887 CD2 LEU A 56 6.220 -2.793 3.412 1.00 0.79 C ATOM 0 H LEU A 56 7.239 -5.891 4.128 1.00 0.43 H new ATOM 0 HA LEU A 56 6.595 -6.714 1.477 1.00 0.49 H new ATOM 0 HB2 LEU A 56 7.654 -4.294 1.034 1.00 0.51 H new ATOM 0 HB3 LEU A 56 6.022 -4.545 1.621 1.00 0.51 H new ATOM 0 HG LEU A 56 7.528 -4.437 3.938 1.00 0.51 H new ATOM 0 HD11 LEU A 56 8.790 -2.271 3.720 1.00 0.50 H new ATOM 0 HD12 LEU A 56 9.463 -3.539 2.668 1.00 0.50 H new ATOM 0 HD13 LEU A 56 8.429 -2.266 1.978 1.00 0.50 H new ATOM 0 HD21 LEU A 56 6.480 -2.181 4.276 1.00 0.79 H new ATOM 0 HD22 LEU A 56 6.041 -2.149 2.551 1.00 0.79 H new ATOM 0 HD23 LEU A 56 5.318 -3.364 3.631 1.00 0.79 H new ATOM 899 N SER A 57 9.685 -7.110 2.170 1.00 0.54 N ATOM 900 CA SER A 57 10.963 -7.557 1.597 1.00 0.63 C ATOM 901 C SER A 57 10.755 -8.788 0.716 1.00 0.73 C ATOM 902 O SER A 57 11.200 -8.852 -0.440 1.00 0.79 O ATOM 903 CB SER A 57 11.958 -7.906 2.734 1.00 0.71 C ATOM 904 OG SER A 57 11.380 -8.850 3.620 1.00 1.71 O ATOM 0 H SER A 57 9.630 -7.172 3.187 1.00 0.54 H new ATOM 0 HA SER A 57 11.368 -6.748 0.989 1.00 0.63 H new ATOM 0 HB2 SER A 57 12.878 -8.310 2.311 1.00 0.71 H new ATOM 0 HB3 SER A 57 12.228 -7.002 3.280 1.00 0.71 H new ATOM 0 HG SER A 57 12.018 -9.064 4.332 1.00 1.71 H new ATOM 910 N ASP A 58 10.001 -9.730 1.253 1.00 0.77 N ATOM 911 CA ASP A 58 9.732 -10.988 0.573 1.00 0.87 C ATOM 912 C ASP A 58 8.959 -10.704 -0.693 1.00 0.87 C ATOM 913 O ASP A 58 8.956 -11.503 -1.629 1.00 0.92 O ATOM 914 CB ASP A 58 8.929 -11.965 1.477 1.00 0.93 C ATOM 915 CG ASP A 58 9.818 -13.033 2.085 1.00 1.06 C ATOM 916 OD1 ASP A 58 10.021 -14.079 1.433 1.00 1.15 O ATOM 917 OD2 ASP A 58 10.313 -12.823 3.212 1.00 1.11 O ATOM 0 H ASP A 58 9.559 -9.647 2.168 1.00 0.77 H new ATOM 0 HA ASP A 58 10.682 -11.466 0.336 1.00 0.87 H new ATOM 0 HB2 ASP A 58 8.439 -11.404 2.273 1.00 0.93 H new ATOM 0 HB3 ASP A 58 8.142 -12.439 0.890 1.00 0.93 H new ATOM 922 N TYR A 59 8.299 -9.556 -0.716 1.00 0.84 N ATOM 923 CA TYR A 59 7.549 -9.154 -1.873 1.00 0.84 C ATOM 924 C TYR A 59 8.436 -8.313 -2.794 1.00 0.82 C ATOM 925 O TYR A 59 7.958 -7.348 -3.362 1.00 0.80 O ATOM 926 CB TYR A 59 6.315 -8.329 -1.440 1.00 0.88 C ATOM 927 CG TYR A 59 5.100 -8.689 -2.167 1.00 0.80 C ATOM 928 CD1 TYR A 59 4.863 -8.280 -3.469 1.00 1.19 C ATOM 929 CD2 TYR A 59 4.171 -9.413 -1.512 1.00 0.66 C ATOM 930 CE1 TYR A 59 3.681 -8.607 -4.094 1.00 1.47 C ATOM 931 CE2 TYR A 59 3.004 -9.749 -2.109 1.00 0.95 C ATOM 932 CZ TYR A 59 2.746 -9.345 -3.403 1.00 1.36 C ATOM 933 OH TYR A 59 1.558 -9.681 -4.003 1.00 1.77 O ATOM 0 H TYR A 59 8.274 -8.893 0.059 1.00 0.84 H new ATOM 0 HA TYR A 59 7.213 -10.042 -2.408 1.00 0.84 H new ATOM 0 HB2 TYR A 59 6.148 -8.470 -0.372 1.00 0.88 H new ATOM 0 HB3 TYR A 59 6.522 -7.270 -1.593 1.00 0.88 H new ATOM 0 HD1 TYR A 59 5.608 -7.702 -3.996 1.00 1.19 H new ATOM 0 HD2 TYR A 59 4.360 -9.729 -0.497 1.00 0.66 H new ATOM 0 HE1 TYR A 59 3.490 -8.290 -5.109 1.00 1.47 H new ATOM 0 HE2 TYR A 59 2.273 -10.335 -1.572 1.00 0.95 H new ATOM 0 HH TYR A 59 1.012 -10.203 -3.378 1.00 1.77 H new ATOM 943 N ASN A 60 9.668 -8.818 -3.034 1.00 0.84 N ATOM 944 CA ASN A 60 10.706 -8.193 -3.935 1.00 0.84 C ATOM 945 C ASN A 60 10.470 -6.745 -4.446 1.00 0.76 C ATOM 946 O ASN A 60 11.169 -6.320 -5.358 1.00 0.80 O ATOM 947 CB ASN A 60 10.836 -9.044 -5.227 1.00 0.95 C ATOM 948 CG ASN A 60 9.465 -9.249 -5.930 1.00 1.01 C ATOM 949 OD1 ASN A 60 9.171 -10.372 -6.341 1.00 1.12 O ATOM 950 ND2 ASN A 60 8.604 -8.192 -6.107 1.00 0.96 N ATOM 0 H ASN A 60 9.990 -9.686 -2.607 1.00 0.84 H new ATOM 0 HA ASN A 60 11.579 -8.158 -3.283 1.00 0.84 H new ATOM 0 HB2 ASN A 60 11.527 -8.556 -5.915 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.265 -10.015 -4.980 1.00 0.95 H new ATOM 0 HD21 ASN A 60 7.713 -8.334 -6.582 1.00 0.96 H new ATOM 0 HD22 ASN A 60 8.856 -7.266 -5.763 1.00 0.96 H new ATOM 957 N ILE A 61 9.522 -5.999 -3.910 1.00 0.68 N ATOM 958 CA ILE A 61 9.280 -4.638 -4.402 1.00 0.63 C ATOM 959 C ILE A 61 10.541 -3.798 -4.182 1.00 0.50 C ATOM 960 O ILE A 61 11.036 -3.718 -3.057 1.00 0.42 O ATOM 961 CB ILE A 61 8.098 -3.975 -3.630 1.00 0.59 C ATOM 962 CG1 ILE A 61 6.761 -4.672 -3.970 1.00 0.84 C ATOM 963 CG2 ILE A 61 7.995 -2.504 -3.965 1.00 0.61 C ATOM 964 CD1 ILE A 61 5.544 -4.102 -3.253 1.00 0.92 C ATOM 0 H ILE A 61 8.913 -6.296 -3.148 1.00 0.68 H new ATOM 0 HA ILE A 61 9.029 -4.688 -5.462 1.00 0.63 H new ATOM 0 HB ILE A 61 8.298 -4.085 -2.564 1.00 0.59 H new ATOM 0 HG12 ILE A 61 6.596 -4.606 -5.045 1.00 0.84 H new ATOM 0 HG13 ILE A 61 6.847 -5.731 -3.725 1.00 0.84 H new ATOM 0 HG21 ILE A 61 7.164 -2.063 -3.415 1.00 0.61 H new ATOM 0 HG22 ILE A 61 8.921 -2.002 -3.687 1.00 0.61 H new ATOM 0 HG23 ILE A 61 7.825 -2.386 -5.035 1.00 0.61 H new ATOM 0 HD11 ILE A 61 4.653 -4.653 -3.554 1.00 0.92 H new ATOM 0 HD12 ILE A 61 5.681 -4.193 -2.175 1.00 0.92 H new ATOM 0 HD13 ILE A 61 5.426 -3.051 -3.516 1.00 0.92 H new ATOM 976 N GLN A 62 11.070 -3.168 -5.240 1.00 0.51 N ATOM 977 CA GLN A 62 12.300 -2.357 -5.080 1.00 0.44 C ATOM 978 C GLN A 62 11.952 -0.873 -4.923 1.00 0.31 C ATOM 979 O GLN A 62 10.794 -0.468 -5.036 1.00 0.29 O ATOM 980 CB GLN A 62 13.289 -2.508 -6.305 1.00 0.56 C ATOM 981 CG GLN A 62 14.053 -3.861 -6.433 1.00 1.16 C ATOM 982 CD GLN A 62 13.132 -5.026 -6.720 1.00 1.77 C ATOM 983 OE1 GLN A 62 12.070 -4.860 -7.321 1.00 2.24 O ATOM 984 NE2 GLN A 62 13.541 -6.217 -6.300 1.00 2.50 N ATOM 0 H GLN A 62 10.688 -3.196 -6.185 1.00 0.51 H new ATOM 0 HA GLN A 62 12.796 -2.731 -4.184 1.00 0.44 H new ATOM 0 HB2 GLN A 62 12.720 -2.352 -7.221 1.00 0.56 H new ATOM 0 HB3 GLN A 62 14.026 -1.707 -6.247 1.00 0.56 H new ATOM 0 HG2 GLN A 62 14.792 -3.782 -7.230 1.00 1.16 H new ATOM 0 HG3 GLN A 62 14.599 -4.054 -5.510 1.00 1.16 H new ATOM 0 HE21 GLN A 62 14.429 -6.306 -5.806 1.00 2.50 H new ATOM 0 HE22 GLN A 62 12.967 -7.043 -6.471 1.00 2.50 H new ATOM 993 N LYS A 63 12.988 -0.081 -4.659 1.00 0.30 N ATOM 994 CA LYS A 63 12.866 1.372 -4.497 1.00 0.24 C ATOM 995 C LYS A 63 12.122 2.042 -5.659 1.00 0.21 C ATOM 996 O LYS A 63 12.339 1.714 -6.826 1.00 0.24 O ATOM 997 CB LYS A 63 14.260 2.019 -4.347 1.00 0.34 C ATOM 998 CG LYS A 63 15.412 1.081 -4.670 1.00 1.31 C ATOM 999 CD LYS A 63 16.753 1.789 -4.573 1.00 1.67 C ATOM 1000 CE LYS A 63 17.901 0.855 -4.922 1.00 2.63 C ATOM 1001 NZ LYS A 63 17.985 -0.299 -3.987 1.00 2.96 N ATOM 0 H LYS A 63 13.941 -0.427 -4.550 1.00 0.30 H new ATOM 0 HA LYS A 63 12.278 1.530 -3.593 1.00 0.24 H new ATOM 0 HB2 LYS A 63 14.318 2.889 -5.001 1.00 0.34 H new ATOM 0 HB3 LYS A 63 14.374 2.380 -3.325 1.00 0.34 H new ATOM 0 HG2 LYS A 63 15.396 0.234 -3.984 1.00 1.31 H new ATOM 0 HG3 LYS A 63 15.284 0.679 -5.675 1.00 1.31 H new ATOM 0 HD2 LYS A 63 16.763 2.647 -5.246 1.00 1.67 H new ATOM 0 HD3 LYS A 63 16.890 2.175 -3.563 1.00 1.67 H new ATOM 0 HE2 LYS A 63 17.773 0.488 -5.940 1.00 2.63 H new ATOM 0 HE3 LYS A 63 18.839 1.409 -4.899 1.00 2.63 H new ATOM 0 HZ1 LYS A 63 18.830 -0.864 -4.208 1.00 2.96 H new ATOM 0 HZ2 LYS A 63 18.048 0.050 -3.009 1.00 2.96 H new ATOM 0 HZ3 LYS A 63 17.136 -0.891 -4.089 1.00 2.96 H new ATOM 1015 N GLU A 64 11.236 2.976 -5.311 1.00 0.19 N ATOM 1016 CA GLU A 64 10.480 3.769 -6.300 1.00 0.21 C ATOM 1017 C GLU A 64 9.452 2.937 -7.079 1.00 0.24 C ATOM 1018 O GLU A 64 9.145 3.257 -8.228 1.00 0.31 O ATOM 1019 CB GLU A 64 11.444 4.505 -7.287 1.00 0.25 C ATOM 1020 CG GLU A 64 10.780 5.642 -8.086 1.00 0.30 C ATOM 1021 CD GLU A 64 10.014 6.604 -7.200 1.00 1.40 C ATOM 1022 OE1 GLU A 64 10.634 7.552 -6.676 1.00 1.59 O ATOM 1023 OE2 GLU A 64 8.791 6.408 -7.030 1.00 2.25 O ATOM 0 H GLU A 64 11.018 3.209 -4.342 1.00 0.19 H new ATOM 0 HA GLU A 64 9.921 4.510 -5.729 1.00 0.21 H new ATOM 0 HB2 GLU A 64 12.282 4.914 -6.722 1.00 0.25 H new ATOM 0 HB3 GLU A 64 11.856 3.777 -7.986 1.00 0.25 H new ATOM 0 HG2 GLU A 64 11.545 6.190 -8.636 1.00 0.30 H new ATOM 0 HG3 GLU A 64 10.102 5.215 -8.824 1.00 0.30 H new ATOM 1030 N SER A 65 8.910 1.870 -6.475 1.00 0.24 N ATOM 1031 CA SER A 65 7.906 1.054 -7.194 1.00 0.28 C ATOM 1032 C SER A 65 6.494 1.613 -6.948 1.00 0.20 C ATOM 1033 O SER A 65 6.233 2.270 -5.917 1.00 0.17 O ATOM 1034 CB SER A 65 7.985 -0.455 -6.810 1.00 0.41 C ATOM 1035 OG SER A 65 7.262 -1.239 -7.744 1.00 1.30 O ATOM 0 H SER A 65 9.133 1.556 -5.531 1.00 0.24 H new ATOM 0 HA SER A 65 8.131 1.118 -8.259 1.00 0.28 H new ATOM 0 HB2 SER A 65 9.026 -0.777 -6.784 1.00 0.41 H new ATOM 0 HB3 SER A 65 7.580 -0.604 -5.809 1.00 0.41 H new ATOM 0 HG SER A 65 7.321 -2.184 -7.493 1.00 1.30 H new ATOM 1041 N THR A 66 5.590 1.422 -7.917 1.00 0.23 N ATOM 1042 CA THR A 66 4.211 1.897 -7.749 1.00 0.19 C ATOM 1043 C THR A 66 3.227 0.749 -7.480 1.00 0.18 C ATOM 1044 O THR A 66 3.124 -0.191 -8.268 1.00 0.23 O ATOM 1045 CB THR A 66 3.731 2.705 -8.983 1.00 0.25 C ATOM 1046 OG1 THR A 66 4.462 3.934 -9.074 1.00 0.25 O ATOM 1047 CG2 THR A 66 2.243 3.008 -8.885 1.00 0.33 C ATOM 0 H THR A 66 5.781 0.955 -8.803 1.00 0.23 H new ATOM 0 HA THR A 66 4.224 2.550 -6.877 1.00 0.19 H new ATOM 0 HB THR A 66 3.908 2.105 -9.875 1.00 0.25 H new ATOM 0 HG1 THR A 66 4.156 4.439 -9.856 1.00 0.25 H new ATOM 0 HG21 THR A 66 1.929 3.575 -9.761 1.00 0.33 H new ATOM 0 HG22 THR A 66 1.684 2.074 -8.838 1.00 0.33 H new ATOM 0 HG23 THR A 66 2.049 3.592 -7.986 1.00 0.33 H new ATOM 1055 N LEU A 67 2.507 0.845 -6.353 1.00 0.17 N ATOM 1056 CA LEU A 67 1.502 -0.174 -5.971 1.00 0.20 C ATOM 1057 C LEU A 67 0.076 0.358 -6.221 1.00 0.20 C ATOM 1058 O LEU A 67 -0.155 1.566 -6.164 1.00 0.19 O ATOM 1059 CB LEU A 67 1.692 -0.534 -4.470 1.00 0.22 C ATOM 1060 CG LEU A 67 2.760 -1.603 -4.230 1.00 0.24 C ATOM 1061 CD1 LEU A 67 3.766 -1.137 -3.185 1.00 0.30 C ATOM 1062 CD2 LEU A 67 2.144 -2.931 -3.795 1.00 0.31 C ATOM 0 H LEU A 67 2.597 1.613 -5.688 1.00 0.17 H new ATOM 0 HA LEU A 67 1.640 -1.068 -6.579 1.00 0.20 H new ATOM 0 HB2 LEU A 67 1.961 0.367 -3.919 1.00 0.22 H new ATOM 0 HB3 LEU A 67 0.742 -0.883 -4.065 1.00 0.22 H new ATOM 0 HG LEU A 67 3.274 -1.760 -5.178 1.00 0.24 H new ATOM 0 HD11 LEU A 67 4.516 -1.913 -3.030 1.00 0.30 H new ATOM 0 HD12 LEU A 67 4.253 -0.225 -3.530 1.00 0.30 H new ATOM 0 HD13 LEU A 67 3.250 -0.939 -2.246 1.00 0.30 H new ATOM 0 HD21 LEU A 67 2.935 -3.664 -3.635 1.00 0.31 H new ATOM 0 HD22 LEU A 67 1.588 -2.788 -2.868 1.00 0.31 H new ATOM 0 HD23 LEU A 67 1.468 -3.290 -4.571 1.00 0.31 H new ATOM 1074 N HIS A 68 -0.877 -0.548 -6.499 1.00 0.21 N ATOM 1075 CA HIS A 68 -2.283 -0.135 -6.770 1.00 0.21 C ATOM 1076 C HIS A 68 -3.145 -0.373 -5.513 1.00 0.20 C ATOM 1077 O HIS A 68 -3.254 -1.506 -5.052 1.00 0.20 O ATOM 1078 CB HIS A 68 -2.901 -0.883 -8.019 1.00 0.22 C ATOM 1079 CG HIS A 68 -3.296 0.064 -9.109 1.00 0.24 C ATOM 1080 ND1 HIS A 68 -4.609 0.368 -9.400 1.00 0.86 N ATOM 1081 CD2 HIS A 68 -2.544 0.774 -9.983 1.00 0.92 C ATOM 1082 CE1 HIS A 68 -4.647 1.224 -10.408 1.00 0.62 C ATOM 1083 NE2 HIS A 68 -3.407 1.486 -10.777 1.00 0.56 N ATOM 0 H HIS A 68 -0.714 -1.554 -6.544 1.00 0.21 H new ATOM 0 HA HIS A 68 -2.276 0.928 -7.013 1.00 0.21 H new ATOM 0 HB2 HIS A 68 -2.176 -1.598 -8.407 1.00 0.22 H new ATOM 0 HB3 HIS A 68 -3.774 -1.454 -7.703 1.00 0.22 H new ATOM 0 HD2 HIS A 68 -1.466 0.779 -10.044 1.00 0.92 H new ATOM 0 HE1 HIS A 68 -5.540 1.638 -10.853 1.00 0.62 H new ATOM 0 HE2 HIS A 68 -3.134 2.116 -11.531 1.00 0.56 H new ATOM 1092 N SER A 69 -3.732 0.683 -4.933 1.00 0.21 N ATOM 1093 CA SER A 69 -4.585 0.506 -3.722 1.00 0.21 C ATOM 1094 C SER A 69 -6.028 0.275 -4.153 1.00 0.22 C ATOM 1095 O SER A 69 -6.582 1.077 -4.907 1.00 0.24 O ATOM 1096 CB SER A 69 -4.519 1.731 -2.773 1.00 0.23 C ATOM 1097 OG SER A 69 -5.127 1.425 -1.530 1.00 0.26 O ATOM 0 H SER A 69 -3.644 1.645 -5.260 1.00 0.21 H new ATOM 0 HA SER A 69 -4.206 -0.356 -3.172 1.00 0.21 H new ATOM 0 HB2 SER A 69 -3.480 2.022 -2.615 1.00 0.23 H new ATOM 0 HB3 SER A 69 -5.022 2.582 -3.232 1.00 0.23 H new ATOM 0 HG SER A 69 -4.568 0.786 -1.041 1.00 0.26 H new ATOM 1103 N VAL A 70 -6.649 -0.814 -3.686 1.00 0.23 N ATOM 1104 CA VAL A 70 -8.037 -1.097 -4.109 1.00 0.27 C ATOM 1105 C VAL A 70 -8.976 -1.250 -2.906 1.00 0.29 C ATOM 1106 O VAL A 70 -8.561 -1.651 -1.824 1.00 0.27 O ATOM 1107 CB VAL A 70 -8.106 -2.368 -5.018 1.00 0.32 C ATOM 1108 CG1 VAL A 70 -7.032 -3.364 -4.622 1.00 0.89 C ATOM 1109 CG2 VAL A 70 -9.481 -3.023 -4.957 1.00 0.99 C ATOM 0 H VAL A 70 -6.240 -1.491 -3.042 1.00 0.23 H new ATOM 0 HA VAL A 70 -8.373 -0.239 -4.691 1.00 0.27 H new ATOM 0 HB VAL A 70 -7.931 -2.049 -6.046 1.00 0.32 H new ATOM 0 HG11 VAL A 70 -7.095 -4.242 -5.265 1.00 0.89 H new ATOM 0 HG12 VAL A 70 -6.050 -2.903 -4.732 1.00 0.89 H new ATOM 0 HG13 VAL A 70 -7.178 -3.663 -3.584 1.00 0.89 H new ATOM 0 HG21 VAL A 70 -9.494 -3.903 -5.600 1.00 0.99 H new ATOM 0 HG22 VAL A 70 -9.697 -3.320 -3.931 1.00 0.99 H new ATOM 0 HG23 VAL A 70 -10.237 -2.315 -5.296 1.00 0.99 H new ATOM 1119 N LEU A 71 -10.255 -0.935 -3.121 1.00 0.36 N ATOM 1120 CA LEU A 71 -11.262 -1.012 -2.034 1.00 0.41 C ATOM 1121 C LEU A 71 -11.962 -2.370 -2.019 1.00 0.48 C ATOM 1122 O LEU A 71 -12.128 -3.012 -3.056 1.00 0.52 O ATOM 1123 CB LEU A 71 -12.313 0.135 -2.132 1.00 0.49 C ATOM 1124 CG LEU A 71 -11.840 1.474 -1.569 1.00 0.55 C ATOM 1125 CD1 LEU A 71 -10.721 2.047 -2.410 1.00 0.91 C ATOM 1126 CD2 LEU A 71 -12.997 2.444 -1.519 1.00 0.86 C ATOM 0 H LEU A 71 -10.625 -0.627 -4.020 1.00 0.36 H new ATOM 0 HA LEU A 71 -10.720 -0.891 -1.096 1.00 0.41 H new ATOM 0 HB2 LEU A 71 -12.588 0.271 -3.178 1.00 0.49 H new ATOM 0 HB3 LEU A 71 -13.216 -0.170 -1.602 1.00 0.49 H new ATOM 0 HG LEU A 71 -11.460 1.311 -0.560 1.00 0.55 H new ATOM 0 HD11 LEU A 71 -10.401 3.000 -1.989 1.00 0.91 H new ATOM 0 HD12 LEU A 71 -9.880 1.353 -2.418 1.00 0.91 H new ATOM 0 HD13 LEU A 71 -11.074 2.201 -3.430 1.00 0.91 H new ATOM 0 HD21 LEU A 71 -12.655 3.398 -1.117 1.00 0.86 H new ATOM 0 HD22 LEU A 71 -13.390 2.594 -2.525 1.00 0.86 H new ATOM 0 HD23 LEU A 71 -13.782 2.041 -0.879 1.00 0.86 H new ATOM 1138 N ARG A 72 -12.370 -2.793 -0.823 1.00 0.51 N ATOM 1139 CA ARG A 72 -13.048 -4.098 -0.653 1.00 0.61 C ATOM 1140 C ARG A 72 -14.424 -3.814 -0.021 1.00 0.76 C ATOM 1141 O ARG A 72 -14.576 -2.802 0.658 1.00 0.78 O ATOM 1142 CB ARG A 72 -12.205 -5.115 0.265 1.00 0.62 C ATOM 1143 CG ARG A 72 -10.908 -5.839 -0.361 1.00 1.41 C ATOM 1144 CD ARG A 72 -10.830 -7.340 0.014 1.00 1.65 C ATOM 1145 NE ARG A 72 -12.135 -7.991 -0.069 1.00 1.91 N ATOM 1146 CZ ARG A 72 -12.336 -9.280 0.194 1.00 2.46 C ATOM 1147 NH1 ARG A 72 -11.322 -10.052 0.562 1.00 2.45 N ATOM 1148 NH2 ARG A 72 -13.554 -9.795 0.091 1.00 3.21 N ATOM 0 H ARG A 72 -12.249 -2.264 0.041 1.00 0.51 H new ATOM 0 HA ARG A 72 -13.148 -4.584 -1.624 1.00 0.61 H new ATOM 0 HB2 ARG A 72 -11.882 -4.568 1.151 1.00 0.62 H new ATOM 0 HB3 ARG A 72 -12.887 -5.895 0.603 1.00 0.62 H new ATOM 0 HG2 ARG A 72 -10.928 -5.739 -1.446 1.00 1.41 H new ATOM 0 HG3 ARG A 72 -10.008 -5.333 -0.011 1.00 1.41 H new ATOM 0 HD2 ARG A 72 -10.130 -7.845 -0.652 1.00 1.65 H new ATOM 0 HD3 ARG A 72 -10.437 -7.441 1.026 1.00 1.65 H new ATOM 0 HE ARG A 72 -12.938 -7.425 -0.344 1.00 1.91 H new ATOM 0 HH11 ARG A 72 -10.385 -9.658 0.644 1.00 2.45 H new ATOM 0 HH12 ARG A 72 -11.480 -11.040 0.763 1.00 2.45 H new ATOM 0 HH21 ARG A 72 -14.336 -9.203 -0.190 1.00 3.21 H new ATOM 0 HH22 ARG A 72 -13.709 -10.783 0.292 1.00 3.21 H new ATOM 1162 N LEU A 73 -15.428 -4.672 -0.286 1.00 0.90 N ATOM 1163 CA LEU A 73 -16.790 -4.512 0.288 1.00 1.10 C ATOM 1164 C LEU A 73 -17.640 -3.619 -0.616 1.00 1.66 C ATOM 1165 O LEU A 73 -18.095 -4.058 -1.673 1.00 2.24 O ATOM 1166 CB LEU A 73 -16.797 -3.945 1.739 1.00 1.82 C ATOM 1167 CG LEU A 73 -16.162 -4.827 2.869 1.00 2.89 C ATOM 1168 CD1 LEU A 73 -16.358 -6.315 2.657 1.00 3.45 C ATOM 1169 CD2 LEU A 73 -14.680 -4.558 3.116 1.00 3.71 C ATOM 0 H LEU A 73 -15.327 -5.485 -0.893 1.00 0.90 H new ATOM 0 HA LEU A 73 -17.214 -5.515 0.343 1.00 1.10 H new ATOM 0 HB2 LEU A 73 -16.275 -2.988 1.728 1.00 1.82 H new ATOM 0 HB3 LEU A 73 -17.832 -3.741 2.014 1.00 1.82 H new ATOM 0 HG LEU A 73 -16.716 -4.519 3.756 1.00 2.89 H new ATOM 0 HD11 LEU A 73 -15.893 -6.864 3.476 1.00 3.45 H new ATOM 0 HD12 LEU A 73 -17.424 -6.541 2.627 1.00 3.45 H new ATOM 0 HD13 LEU A 73 -15.898 -6.612 1.715 1.00 3.45 H new ATOM 0 HD21 LEU A 73 -14.320 -5.209 3.912 1.00 3.71 H new ATOM 0 HD22 LEU A 73 -14.117 -4.755 2.203 1.00 3.71 H new ATOM 0 HD23 LEU A 73 -14.543 -3.517 3.409 1.00 3.71 H new ATOM 1181 N ARG A 74 -17.858 -2.370 -0.208 1.00 2.42 N ATOM 1182 CA ARG A 74 -18.672 -1.445 -1.018 1.00 3.38 C ATOM 1183 C ARG A 74 -18.270 -0.010 -0.728 1.00 4.37 C ATOM 1184 O ARG A 74 -18.577 0.902 -1.498 1.00 5.32 O ATOM 1185 CB ARG A 74 -20.197 -1.660 -0.721 1.00 3.74 C ATOM 1186 CG ARG A 74 -21.123 -0.411 -0.901 1.00 4.81 C ATOM 1187 CD ARG A 74 -22.585 -0.814 -1.146 1.00 5.51 C ATOM 1188 NE ARG A 74 -22.708 -1.832 -2.188 1.00 5.57 N ATOM 1189 CZ ARG A 74 -23.871 -2.338 -2.591 1.00 6.43 C ATOM 1190 NH1 ARG A 74 -25.004 -1.926 -2.038 1.00 7.15 N ATOM 1191 NH2 ARG A 74 -23.900 -3.257 -3.546 1.00 6.82 N ATOM 0 H ARG A 74 -17.494 -1.974 0.659 1.00 2.42 H new ATOM 0 HA ARG A 74 -18.495 -1.650 -2.074 1.00 3.38 H new ATOM 0 HB2 ARG A 74 -20.563 -2.454 -1.372 1.00 3.74 H new ATOM 0 HB3 ARG A 74 -20.299 -2.016 0.304 1.00 3.74 H new ATOM 0 HG2 ARG A 74 -21.063 0.217 -0.012 1.00 4.81 H new ATOM 0 HG3 ARG A 74 -20.766 0.188 -1.739 1.00 4.81 H new ATOM 0 HD2 ARG A 74 -23.017 -1.191 -0.219 1.00 5.51 H new ATOM 0 HD3 ARG A 74 -23.160 0.067 -1.431 1.00 5.51 H new ATOM 0 HE ARG A 74 -21.855 -2.173 -2.631 1.00 5.57 H new ATOM 0 HH11 ARG A 74 -24.985 -1.220 -1.302 1.00 7.15 H new ATOM 0 HH12 ARG A 74 -25.894 -2.315 -2.349 1.00 7.15 H new ATOM 0 HH21 ARG A 74 -23.030 -3.577 -3.973 1.00 6.82 H new ATOM 0 HH22 ARG A 74 -24.792 -3.644 -3.854 1.00 6.82 H new ATOM 1205 N GLY A 75 -17.564 0.188 0.381 1.00 4.50 N ATOM 1206 CA GLY A 75 -17.133 1.519 0.745 1.00 5.71 C ATOM 1207 C GLY A 75 -18.252 2.345 1.347 1.00 6.36 C ATOM 1208 O GLY A 75 -18.294 3.564 1.176 1.00 6.83 O ATOM 0 H GLY A 75 -17.285 -0.548 1.030 1.00 4.50 H new ATOM 0 HA2 GLY A 75 -16.312 1.450 1.459 1.00 5.71 H new ATOM 0 HA3 GLY A 75 -16.745 2.027 -0.138 1.00 5.71 H new ATOM 1212 N GLY A 76 -19.157 1.680 2.058 1.00 6.69 N ATOM 1213 CA GLY A 76 -20.282 2.390 2.683 1.00 7.53 C ATOM 1214 C GLY A 76 -21.545 1.553 2.713 1.00 7.98 C ATOM 1215 O GLY A 76 -22.326 1.622 1.741 1.00 8.34 O ATOM 1216 OXT GLY A 76 -21.754 0.829 3.709 1.00 8.24 O ATOM 0 H GLY A 76 -19.141 0.673 2.217 1.00 6.69 H new ATOM 0 HA2 GLY A 76 -20.011 2.671 3.701 1.00 7.53 H new ATOM 0 HA3 GLY A 76 -20.474 3.314 2.137 1.00 7.53 H new TER 1220 GLY A 76