USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 62 GLN : amide:sc= 0.613 K(o=1.7,f=-2.6!) USER MOD Set 1.2: A 65 SER OG : rot -101:sc= 1.07 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -150:sc= 0.711 (180deg=0) USER MOD Set 2.2: A 66 THR OG1 : rot -110:sc= 0.695 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.143 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.4) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0136) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 25 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.069) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.092) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.0329 (180deg=-0.181) USER MOD Single : A 31 GLN : amide:sc= -0.961 K(o=-0.96,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.239 K(o=0.24,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= -1.04 K(o=-1,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0168) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=9.08e-05 X(o=9.1e-05,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.371 -6.207 4.063 1.00 73.41 N ATOM 2 CA MET A 1 -12.321 -6.743 2.690 1.00 21.32 C ATOM 3 C MET A 1 -10.908 -7.229 2.410 1.00 72.45 C ATOM 4 O MET A 1 -9.985 -6.862 3.127 1.00 10.31 O ATOM 5 CB MET A 1 -12.781 -5.735 1.626 1.00 42.35 C ATOM 6 CG MET A 1 -11.928 -4.461 1.574 1.00 41.42 C ATOM 7 SD MET A 1 -12.301 -3.339 0.208 1.00 64.55 S ATOM 8 CE MET A 1 -13.834 -2.606 0.829 1.00 52.41 C ATOM 0 H1 MET A 1 -12.946 -6.835 4.660 1.00 73.41 H new ATOM 0 H2 MET A 1 -11.407 -6.150 4.449 1.00 73.41 H new ATOM 0 H3 MET A 1 -12.795 -5.258 4.050 1.00 73.41 H new ATOM 0 HA MET A 1 -13.026 -7.571 2.626 1.00 21.32 H new ATOM 0 HB2 MET A 1 -12.759 -6.217 0.648 1.00 42.35 H new ATOM 0 HB3 MET A 1 -13.817 -5.460 1.823 1.00 42.35 H new ATOM 0 HG2 MET A 1 -12.054 -3.920 2.512 1.00 41.42 H new ATOM 0 HG3 MET A 1 -10.878 -4.748 1.511 1.00 41.42 H new ATOM 0 HE1 MET A 1 -14.210 -1.882 0.106 1.00 52.41 H new ATOM 0 HE2 MET A 1 -14.577 -3.389 0.978 1.00 52.41 H new ATOM 0 HE3 MET A 1 -13.640 -2.105 1.777 1.00 52.41 H new ATOM 18 N GLN A 2 -10.700 -7.966 1.320 1.00 55.43 N ATOM 19 CA GLN A 2 -9.400 -8.515 0.956 1.00 61.24 C ATOM 20 C GLN A 2 -8.740 -7.626 -0.104 1.00 64.33 C ATOM 21 O GLN A 2 -9.427 -6.890 -0.820 1.00 74.33 O ATOM 22 CB GLN A 2 -9.586 -9.968 0.479 1.00 15.31 C ATOM 23 CG GLN A 2 -10.511 -10.803 1.397 1.00 12.31 C ATOM 24 CD GLN A 2 -11.985 -10.737 0.981 1.00 73.42 C ATOM 25 OE1 GLN A 2 -12.781 -9.904 1.421 1.00 12.02 O ATOM 26 NE2 GLN A 2 -12.382 -11.573 0.039 1.00 21.31 N ATOM 0 H GLN A 2 -11.440 -8.200 0.658 1.00 55.43 H new ATOM 0 HA GLN A 2 -8.732 -8.531 1.818 1.00 61.24 H new ATOM 0 HB2 GLN A 2 -9.998 -9.961 -0.530 1.00 15.31 H new ATOM 0 HB3 GLN A 2 -8.611 -10.451 0.422 1.00 15.31 H new ATOM 0 HG2 GLN A 2 -10.182 -11.842 1.386 1.00 12.31 H new ATOM 0 HG3 GLN A 2 -10.412 -10.448 2.423 1.00 12.31 H new ATOM 0 HE21 GLN A 2 -11.734 -12.267 -0.334 1.00 21.31 H new ATOM 0 HE22 GLN A 2 -13.337 -11.525 -0.316 1.00 21.31 H new ATOM 35 N ILE A 3 -7.409 -7.654 -0.189 1.00 65.12 N ATOM 36 CA ILE A 3 -6.580 -6.882 -1.115 1.00 32.10 C ATOM 37 C ILE A 3 -5.347 -7.726 -1.450 1.00 2.44 C ATOM 38 O ILE A 3 -4.927 -8.579 -0.669 1.00 44.32 O ATOM 39 CB ILE A 3 -6.108 -5.540 -0.460 1.00 54.20 C ATOM 40 CG1 ILE A 3 -7.178 -4.849 0.422 1.00 10.52 C ATOM 41 CG2 ILE A 3 -5.566 -4.559 -1.522 1.00 11.31 C ATOM 42 CD1 ILE A 3 -6.782 -3.506 1.049 1.00 72.21 C ATOM 0 H ILE A 3 -6.849 -8.250 0.421 1.00 65.12 H new ATOM 0 HA ILE A 3 -7.159 -6.644 -2.007 1.00 32.10 H new ATOM 0 HB ILE A 3 -5.301 -5.823 0.216 1.00 54.20 H new ATOM 0 HG12 ILE A 3 -8.071 -4.693 -0.183 1.00 10.52 H new ATOM 0 HG13 ILE A 3 -7.453 -5.533 1.225 1.00 10.52 H new ATOM 0 HG21 ILE A 3 -5.246 -3.637 -1.036 1.00 11.31 H new ATOM 0 HG22 ILE A 3 -4.718 -5.011 -2.036 1.00 11.31 H new ATOM 0 HG23 ILE A 3 -6.351 -4.335 -2.245 1.00 11.31 H new ATOM 0 HD11 ILE A 3 -7.612 -3.123 1.642 1.00 72.21 H new ATOM 0 HD12 ILE A 3 -5.912 -3.646 1.690 1.00 72.21 H new ATOM 0 HD13 ILE A 3 -6.540 -2.794 0.260 1.00 72.21 H new ATOM 54 N PHE A 4 -4.710 -7.414 -2.571 1.00 65.23 N ATOM 55 CA PHE A 4 -3.501 -8.074 -3.050 1.00 12.34 C ATOM 56 C PHE A 4 -2.438 -7.007 -3.307 1.00 11.22 C ATOM 57 O PHE A 4 -2.731 -5.987 -3.923 1.00 43.20 O ATOM 58 CB PHE A 4 -3.795 -8.833 -4.352 1.00 63.30 C ATOM 59 CG PHE A 4 -4.470 -10.180 -4.186 1.00 74.43 C ATOM 60 CD1 PHE A 4 -5.807 -10.267 -3.749 1.00 22.32 C ATOM 61 CD2 PHE A 4 -3.760 -11.358 -4.494 1.00 42.43 C ATOM 62 CE1 PHE A 4 -6.416 -11.523 -3.584 1.00 5.14 C ATOM 63 CE2 PHE A 4 -4.380 -12.610 -4.358 1.00 42.00 C ATOM 64 CZ PHE A 4 -5.701 -12.693 -3.891 1.00 3.42 C ATOM 0 H PHE A 4 -5.030 -6.671 -3.192 1.00 65.23 H new ATOM 0 HA PHE A 4 -3.149 -8.786 -2.304 1.00 12.34 H new ATOM 0 HB2 PHE A 4 -4.425 -8.206 -4.983 1.00 63.30 H new ATOM 0 HB3 PHE A 4 -2.856 -8.980 -4.886 1.00 63.30 H new ATOM 0 HD1 PHE A 4 -6.365 -9.366 -3.540 1.00 22.32 H new ATOM 0 HD2 PHE A 4 -2.737 -11.297 -4.835 1.00 42.43 H new ATOM 0 HE1 PHE A 4 -7.431 -11.589 -3.222 1.00 5.14 H new ATOM 0 HE2 PHE A 4 -3.840 -13.510 -4.613 1.00 42.00 H new ATOM 0 HZ PHE A 4 -6.169 -13.658 -3.767 1.00 3.42 H new ATOM 74 N VAL A 5 -1.192 -7.241 -2.905 1.00 63.40 N ATOM 75 CA VAL A 5 -0.096 -6.283 -3.134 1.00 53.35 C ATOM 76 C VAL A 5 0.992 -6.941 -3.976 1.00 63.31 C ATOM 77 O VAL A 5 1.292 -8.114 -3.777 1.00 32.41 O ATOM 78 CB VAL A 5 0.498 -5.770 -1.807 1.00 3.11 C ATOM 79 CG1 VAL A 5 1.389 -4.529 -2.002 1.00 73.24 C ATOM 80 CG2 VAL A 5 -0.583 -5.374 -0.802 1.00 30.04 C ATOM 0 H VAL A 5 -0.907 -8.089 -2.415 1.00 63.40 H new ATOM 0 HA VAL A 5 -0.503 -5.424 -3.667 1.00 53.35 H new ATOM 0 HB VAL A 5 1.086 -6.607 -1.430 1.00 3.11 H new ATOM 0 HG11 VAL A 5 1.782 -4.208 -1.037 1.00 73.24 H new ATOM 0 HG12 VAL A 5 2.217 -4.776 -2.667 1.00 73.24 H new ATOM 0 HG13 VAL A 5 0.800 -3.723 -2.440 1.00 73.24 H new ATOM 0 HG21 VAL A 5 -0.114 -5.019 0.116 1.00 30.04 H new ATOM 0 HG22 VAL A 5 -1.199 -4.581 -1.224 1.00 30.04 H new ATOM 0 HG23 VAL A 5 -1.208 -6.239 -0.580 1.00 30.04 H new ATOM 90 N LYS A 6 1.584 -6.213 -4.924 1.00 61.40 N ATOM 91 CA LYS A 6 2.661 -6.701 -5.773 1.00 10.54 C ATOM 92 C LYS A 6 3.736 -5.626 -5.816 1.00 63.54 C ATOM 93 O LYS A 6 3.445 -4.450 -6.045 1.00 1.41 O ATOM 94 CB LYS A 6 2.182 -7.130 -7.172 1.00 62.20 C ATOM 95 CG LYS A 6 1.356 -6.076 -7.932 1.00 10.25 C ATOM 96 CD LYS A 6 1.315 -6.326 -9.447 1.00 34.01 C ATOM 97 CE LYS A 6 0.730 -7.669 -9.891 1.00 64.11 C ATOM 98 NZ LYS A 6 -0.704 -7.802 -9.583 1.00 41.25 N ATOM 0 H LYS A 6 1.319 -5.248 -5.124 1.00 61.40 H new ATOM 0 HA LYS A 6 3.074 -7.616 -5.349 1.00 10.54 H new ATOM 0 HB2 LYS A 6 3.053 -7.389 -7.774 1.00 62.20 H new ATOM 0 HB3 LYS A 6 1.583 -8.035 -7.072 1.00 62.20 H new ATOM 0 HG2 LYS A 6 0.338 -6.070 -7.542 1.00 10.25 H new ATOM 0 HG3 LYS A 6 1.776 -5.088 -7.743 1.00 10.25 H new ATOM 0 HD2 LYS A 6 0.735 -5.528 -9.911 1.00 34.01 H new ATOM 0 HD3 LYS A 6 2.331 -6.249 -9.835 1.00 34.01 H new ATOM 0 HE2 LYS A 6 0.878 -7.786 -10.965 1.00 64.11 H new ATOM 0 HE3 LYS A 6 1.277 -8.476 -9.404 1.00 64.11 H new ATOM 0 HZ1 LYS A 6 -0.932 -8.803 -9.417 1.00 41.25 H new ATOM 0 HZ2 LYS A 6 -0.929 -7.249 -8.731 1.00 41.25 H new ATOM 0 HZ3 LYS A 6 -1.265 -7.448 -10.384 1.00 41.25 H new ATOM 112 N THR A 7 4.976 -6.017 -5.550 1.00 3.43 N ATOM 113 CA THR A 7 6.086 -5.082 -5.587 1.00 55.14 C ATOM 114 C THR A 7 6.641 -5.073 -7.020 1.00 35.31 C ATOM 115 O THR A 7 6.359 -5.991 -7.803 1.00 75.02 O ATOM 116 CB THR A 7 7.079 -5.428 -4.471 1.00 14.02 C ATOM 117 OG1 THR A 7 7.916 -4.323 -4.213 1.00 43.23 O ATOM 118 CG2 THR A 7 7.914 -6.680 -4.745 1.00 33.32 C ATOM 0 H THR A 7 5.235 -6.973 -5.307 1.00 3.43 H new ATOM 0 HA THR A 7 5.795 -4.053 -5.374 1.00 55.14 H new ATOM 0 HB THR A 7 6.480 -5.660 -3.590 1.00 14.02 H new ATOM 0 HG1 THR A 7 8.547 -4.550 -3.498 1.00 43.23 H new ATOM 0 HG21 THR A 7 8.591 -6.856 -3.909 1.00 33.32 H new ATOM 0 HG22 THR A 7 7.254 -7.539 -4.864 1.00 33.32 H new ATOM 0 HG23 THR A 7 8.493 -6.538 -5.657 1.00 33.32 H new ATOM 126 N LEU A 8 7.465 -4.085 -7.386 1.00 23.12 N ATOM 127 CA LEU A 8 8.034 -4.004 -8.739 1.00 22.04 C ATOM 128 C LEU A 8 8.950 -5.187 -9.090 1.00 43.44 C ATOM 129 O LEU A 8 9.227 -5.397 -10.271 1.00 13.24 O ATOM 130 CB LEU A 8 8.730 -2.662 -9.008 1.00 1.14 C ATOM 131 CG LEU A 8 7.830 -1.411 -8.985 1.00 13.52 C ATOM 132 CD1 LEU A 8 8.608 -0.239 -9.600 1.00 23.31 C ATOM 133 CD2 LEU A 8 6.512 -1.568 -9.760 1.00 14.20 C ATOM 0 H LEU A 8 7.754 -3.329 -6.765 1.00 23.12 H new ATOM 0 HA LEU A 8 7.176 -4.068 -9.408 1.00 22.04 H new ATOM 0 HB2 LEU A 8 9.518 -2.530 -8.267 1.00 1.14 H new ATOM 0 HB3 LEU A 8 9.215 -2.717 -9.983 1.00 1.14 H new ATOM 0 HG LEU A 8 7.565 -1.240 -7.941 1.00 13.52 H new ATOM 0 HD11 LEU A 8 7.985 0.655 -9.592 1.00 23.31 H new ATOM 0 HD12 LEU A 8 9.512 -0.057 -9.018 1.00 23.31 H new ATOM 0 HD13 LEU A 8 8.880 -0.482 -10.627 1.00 23.31 H new ATOM 0 HD21 LEU A 8 5.938 -0.643 -9.694 1.00 14.20 H new ATOM 0 HD22 LEU A 8 6.729 -1.786 -10.806 1.00 14.20 H new ATOM 0 HD23 LEU A 8 5.933 -2.386 -9.331 1.00 14.20 H new ATOM 145 N THR A 9 9.387 -5.987 -8.114 1.00 11.44 N ATOM 146 CA THR A 9 10.222 -7.168 -8.338 1.00 33.13 C ATOM 147 C THR A 9 9.358 -8.306 -8.945 1.00 33.23 C ATOM 148 O THR A 9 9.886 -9.349 -9.343 1.00 31.32 O ATOM 149 CB THR A 9 10.896 -7.578 -7.007 1.00 24.21 C ATOM 150 OG1 THR A 9 11.403 -6.425 -6.359 1.00 12.20 O ATOM 151 CG2 THR A 9 12.052 -8.569 -7.176 1.00 34.21 C ATOM 0 H THR A 9 9.167 -5.829 -7.131 1.00 11.44 H new ATOM 0 HA THR A 9 11.016 -6.949 -9.052 1.00 33.13 H new ATOM 0 HB THR A 9 10.122 -8.072 -6.420 1.00 24.21 H new ATOM 0 HG1 THR A 9 11.828 -6.684 -5.515 1.00 12.20 H new ATOM 0 HG21 THR A 9 12.472 -8.808 -6.199 1.00 34.21 H new ATOM 0 HG22 THR A 9 11.684 -9.481 -7.645 1.00 34.21 H new ATOM 0 HG23 THR A 9 12.824 -8.124 -7.804 1.00 34.21 H new ATOM 159 N GLY A 10 8.027 -8.143 -9.005 1.00 53.31 N ATOM 160 CA GLY A 10 7.069 -9.100 -9.554 1.00 5.41 C ATOM 161 C GLY A 10 6.386 -9.966 -8.497 1.00 71.43 C ATOM 162 O GLY A 10 5.364 -10.589 -8.791 1.00 75.14 O ATOM 0 H GLY A 10 7.574 -7.299 -8.654 1.00 53.31 H new ATOM 0 HA2 GLY A 10 6.307 -8.557 -10.113 1.00 5.41 H new ATOM 0 HA3 GLY A 10 7.583 -9.748 -10.264 1.00 5.41 H new ATOM 166 N LYS A 11 6.919 -10.022 -7.273 1.00 63.21 N ATOM 167 CA LYS A 11 6.371 -10.833 -6.189 1.00 13.41 C ATOM 168 C LYS A 11 5.087 -10.261 -5.610 1.00 74.24 C ATOM 169 O LYS A 11 5.075 -9.124 -5.129 1.00 13.41 O ATOM 170 CB LYS A 11 7.419 -11.015 -5.078 1.00 4.51 C ATOM 171 CG LYS A 11 8.482 -12.048 -5.472 1.00 33.20 C ATOM 172 CD LYS A 11 7.916 -13.475 -5.389 1.00 43.20 C ATOM 173 CE LYS A 11 8.863 -14.498 -6.009 1.00 44.02 C ATOM 174 NZ LYS A 11 8.901 -14.436 -7.484 1.00 43.34 N ATOM 0 H LYS A 11 7.753 -9.498 -7.007 1.00 63.21 H new ATOM 0 HA LYS A 11 6.118 -11.802 -6.619 1.00 13.41 H new ATOM 0 HB2 LYS A 11 7.899 -10.059 -4.869 1.00 4.51 H new ATOM 0 HB3 LYS A 11 6.925 -11.332 -4.159 1.00 4.51 H new ATOM 0 HG2 LYS A 11 8.831 -11.849 -6.485 1.00 33.20 H new ATOM 0 HG3 LYS A 11 9.346 -11.956 -4.814 1.00 33.20 H new ATOM 0 HD2 LYS A 11 7.734 -13.734 -4.346 1.00 43.20 H new ATOM 0 HD3 LYS A 11 6.954 -13.514 -5.900 1.00 43.20 H new ATOM 0 HE2 LYS A 11 9.868 -14.336 -5.619 1.00 44.02 H new ATOM 0 HE3 LYS A 11 8.559 -15.498 -5.701 1.00 44.02 H new ATOM 0 HZ1 LYS A 11 9.495 -15.208 -7.849 1.00 43.34 H new ATOM 0 HZ2 LYS A 11 7.936 -14.533 -7.861 1.00 43.34 H new ATOM 0 HZ3 LYS A 11 9.299 -13.523 -7.783 1.00 43.34 H new ATOM 188 N THR A 12 4.031 -11.070 -5.635 1.00 10.10 N ATOM 189 CA THR A 12 2.713 -10.741 -5.120 1.00 43.40 C ATOM 190 C THR A 12 2.568 -11.376 -3.726 1.00 45.23 C ATOM 191 O THR A 12 3.110 -12.459 -3.461 1.00 62.34 O ATOM 192 CB THR A 12 1.648 -11.171 -6.149 1.00 15.22 C ATOM 193 OG1 THR A 12 0.369 -10.697 -5.783 1.00 12.51 O ATOM 194 CG2 THR A 12 1.586 -12.686 -6.372 1.00 3.43 C ATOM 0 H THR A 12 4.076 -12.009 -6.031 1.00 10.10 H new ATOM 0 HA THR A 12 2.570 -9.669 -4.985 1.00 43.40 H new ATOM 0 HB THR A 12 1.956 -10.719 -7.092 1.00 15.22 H new ATOM 0 HG1 THR A 12 -0.289 -10.981 -6.452 1.00 12.51 H new ATOM 0 HG21 THR A 12 0.815 -12.914 -7.108 1.00 3.43 H new ATOM 0 HG22 THR A 12 2.551 -13.040 -6.736 1.00 3.43 H new ATOM 0 HG23 THR A 12 1.348 -13.183 -5.431 1.00 3.43 H new ATOM 202 N ILE A 13 1.978 -10.627 -2.795 1.00 72.20 N ATOM 203 CA ILE A 13 1.698 -10.992 -1.416 1.00 64.12 C ATOM 204 C ILE A 13 0.268 -10.556 -1.090 1.00 60.03 C ATOM 205 O ILE A 13 -0.114 -9.422 -1.393 1.00 31.35 O ATOM 206 CB ILE A 13 2.763 -10.364 -0.476 1.00 74.51 C ATOM 207 CG1 ILE A 13 4.123 -11.092 -0.564 1.00 64.42 C ATOM 208 CG2 ILE A 13 2.318 -10.292 0.996 1.00 14.10 C ATOM 209 CD1 ILE A 13 4.111 -12.538 -0.051 1.00 2.43 C ATOM 0 H ILE A 13 1.662 -9.680 -3.006 1.00 72.20 H new ATOM 0 HA ILE A 13 1.762 -12.070 -1.267 1.00 64.12 H new ATOM 0 HB ILE A 13 2.880 -9.343 -0.838 1.00 74.51 H new ATOM 0 HG12 ILE A 13 4.453 -11.092 -1.603 1.00 64.42 H new ATOM 0 HG13 ILE A 13 4.860 -10.525 0.005 1.00 64.42 H new ATOM 0 HG21 ILE A 13 3.111 -9.843 1.594 1.00 14.10 H new ATOM 0 HG22 ILE A 13 1.416 -9.685 1.074 1.00 14.10 H new ATOM 0 HG23 ILE A 13 2.112 -11.297 1.363 1.00 14.10 H new ATOM 0 HD11 ILE A 13 5.107 -12.968 -0.152 1.00 2.43 H new ATOM 0 HD12 ILE A 13 3.815 -12.549 0.998 1.00 2.43 H new ATOM 0 HD13 ILE A 13 3.402 -13.125 -0.634 1.00 2.43 H new ATOM 221 N THR A 14 -0.523 -11.416 -0.451 1.00 4.23 N ATOM 222 CA THR A 14 -1.883 -11.055 -0.070 1.00 71.41 C ATOM 223 C THR A 14 -1.760 -10.112 1.139 1.00 72.53 C ATOM 224 O THR A 14 -0.874 -10.278 1.992 1.00 62.14 O ATOM 225 CB THR A 14 -2.732 -12.312 0.243 1.00 3.03 C ATOM 226 OG1 THR A 14 -4.025 -11.938 0.669 1.00 42.43 O ATOM 227 CG2 THR A 14 -2.146 -13.204 1.343 1.00 5.34 C ATOM 0 H THR A 14 -0.246 -12.362 -0.188 1.00 4.23 H new ATOM 0 HA THR A 14 -2.405 -10.554 -0.886 1.00 71.41 H new ATOM 0 HB THR A 14 -2.749 -12.876 -0.689 1.00 3.03 H new ATOM 0 HG1 THR A 14 -4.551 -12.742 0.862 1.00 42.43 H new ATOM 0 HG21 THR A 14 -2.799 -14.062 1.502 1.00 5.34 H new ATOM 0 HG22 THR A 14 -1.158 -13.551 1.042 1.00 5.34 H new ATOM 0 HG23 THR A 14 -2.064 -12.634 2.268 1.00 5.34 H new ATOM 235 N LEU A 15 -2.680 -9.161 1.273 1.00 71.21 N ATOM 236 CA LEU A 15 -2.702 -8.202 2.380 1.00 63.35 C ATOM 237 C LEU A 15 -4.060 -8.287 3.080 1.00 31.05 C ATOM 238 O LEU A 15 -5.086 -8.507 2.436 1.00 13.42 O ATOM 239 CB LEU A 15 -2.409 -6.801 1.822 1.00 41.41 C ATOM 240 CG LEU A 15 -2.561 -5.650 2.831 1.00 25.15 C ATOM 241 CD1 LEU A 15 -1.459 -5.704 3.898 1.00 3.41 C ATOM 242 CD2 LEU A 15 -2.512 -4.286 2.135 1.00 15.10 C ATOM 0 H LEU A 15 -3.443 -9.031 0.608 1.00 71.21 H new ATOM 0 HA LEU A 15 -1.937 -8.428 3.122 1.00 63.35 H new ATOM 0 HB2 LEU A 15 -1.392 -6.788 1.431 1.00 41.41 H new ATOM 0 HB3 LEU A 15 -3.076 -6.616 0.980 1.00 41.41 H new ATOM 0 HG LEU A 15 -3.534 -5.772 3.307 1.00 25.15 H new ATOM 0 HD11 LEU A 15 -1.590 -4.879 4.598 1.00 3.41 H new ATOM 0 HD12 LEU A 15 -1.519 -6.650 4.436 1.00 3.41 H new ATOM 0 HD13 LEU A 15 -0.484 -5.621 3.418 1.00 3.41 H new ATOM 0 HD21 LEU A 15 -2.622 -3.495 2.877 1.00 15.10 H new ATOM 0 HD22 LEU A 15 -1.556 -4.173 1.623 1.00 15.10 H new ATOM 0 HD23 LEU A 15 -3.322 -4.219 1.409 1.00 15.10 H new ATOM 254 N GLU A 16 -4.051 -8.137 4.409 1.00 32.10 N ATOM 255 CA GLU A 16 -5.232 -8.192 5.259 1.00 73.42 C ATOM 256 C GLU A 16 -5.248 -6.951 6.144 1.00 10.23 C ATOM 257 O GLU A 16 -4.379 -6.781 7.005 1.00 73.41 O ATOM 258 CB GLU A 16 -5.203 -9.491 6.068 1.00 50.41 C ATOM 259 CG GLU A 16 -6.425 -9.631 6.979 1.00 41.24 C ATOM 260 CD GLU A 16 -6.766 -11.103 7.185 1.00 55.14 C ATOM 261 OE1 GLU A 16 -5.909 -11.849 7.726 1.00 52.34 O ATOM 262 OE2 GLU A 16 -7.880 -11.502 6.782 1.00 31.22 O ATOM 0 H GLU A 16 -3.192 -7.969 4.933 1.00 32.10 H new ATOM 0 HA GLU A 16 -6.150 -8.196 4.671 1.00 73.42 H new ATOM 0 HB2 GLU A 16 -5.160 -10.341 5.387 1.00 50.41 H new ATOM 0 HB3 GLU A 16 -4.296 -9.521 6.672 1.00 50.41 H new ATOM 0 HG2 GLU A 16 -6.226 -9.159 7.941 1.00 41.24 H new ATOM 0 HG3 GLU A 16 -7.276 -9.112 6.539 1.00 41.24 H new ATOM 269 N VAL A 17 -6.222 -6.079 5.926 1.00 54.54 N ATOM 270 CA VAL A 17 -6.444 -4.822 6.619 1.00 33.23 C ATOM 271 C VAL A 17 -7.959 -4.620 6.746 1.00 5.12 C ATOM 272 O VAL A 17 -8.736 -5.211 5.991 1.00 14.13 O ATOM 273 CB VAL A 17 -5.739 -3.681 5.845 1.00 43.11 C ATOM 274 CG1 VAL A 17 -4.221 -3.912 5.767 1.00 42.12 C ATOM 275 CG2 VAL A 17 -6.250 -3.478 4.412 1.00 15.44 C ATOM 0 H VAL A 17 -6.927 -6.245 5.208 1.00 54.54 H new ATOM 0 HA VAL A 17 -6.018 -4.825 7.622 1.00 33.23 H new ATOM 0 HB VAL A 17 -5.975 -2.786 6.420 1.00 43.11 H new ATOM 0 HG11 VAL A 17 -3.756 -3.093 5.217 1.00 42.12 H new ATOM 0 HG12 VAL A 17 -3.807 -3.954 6.774 1.00 42.12 H new ATOM 0 HG13 VAL A 17 -4.022 -4.853 5.254 1.00 42.12 H new ATOM 0 HG21 VAL A 17 -5.703 -2.660 3.943 1.00 15.44 H new ATOM 0 HG22 VAL A 17 -6.098 -4.392 3.839 1.00 15.44 H new ATOM 0 HG23 VAL A 17 -7.313 -3.237 4.435 1.00 15.44 H new ATOM 285 N GLU A 18 -8.401 -3.792 7.688 1.00 5.53 N ATOM 286 CA GLU A 18 -9.821 -3.521 7.900 1.00 53.34 C ATOM 287 C GLU A 18 -10.352 -2.510 6.876 1.00 42.03 C ATOM 288 O GLU A 18 -9.561 -1.795 6.255 1.00 22.12 O ATOM 289 CB GLU A 18 -10.016 -2.996 9.337 1.00 51.23 C ATOM 290 CG GLU A 18 -10.050 -4.137 10.361 1.00 42.32 C ATOM 291 CD GLU A 18 -11.159 -5.147 10.053 1.00 61.25 C ATOM 292 OE1 GLU A 18 -12.347 -4.879 10.329 1.00 23.52 O ATOM 293 OE2 GLU A 18 -10.878 -6.244 9.519 1.00 20.23 O ATOM 0 H GLU A 18 -7.785 -3.289 8.327 1.00 5.53 H new ATOM 0 HA GLU A 18 -10.386 -4.443 7.765 1.00 53.34 H new ATOM 0 HB2 GLU A 18 -9.207 -2.309 9.586 1.00 51.23 H new ATOM 0 HB3 GLU A 18 -10.945 -2.429 9.394 1.00 51.23 H new ATOM 0 HG2 GLU A 18 -9.087 -4.647 10.369 1.00 42.32 H new ATOM 0 HG3 GLU A 18 -10.201 -3.725 11.359 1.00 42.32 H new ATOM 300 N PRO A 19 -11.680 -2.404 6.671 1.00 14.03 N ATOM 301 CA PRO A 19 -12.248 -1.440 5.729 1.00 12.22 C ATOM 302 C PRO A 19 -12.014 0.000 6.212 1.00 12.13 C ATOM 303 O PRO A 19 -12.077 0.936 5.414 1.00 24.11 O ATOM 304 CB PRO A 19 -13.738 -1.781 5.638 1.00 33.42 C ATOM 305 CG PRO A 19 -14.048 -2.466 6.966 1.00 12.23 C ATOM 306 CD PRO A 19 -12.741 -3.178 7.304 1.00 14.20 C ATOM 0 HA PRO A 19 -11.776 -1.500 4.748 1.00 12.22 H new ATOM 0 HB2 PRO A 19 -14.344 -0.885 5.501 1.00 33.42 H new ATOM 0 HB3 PRO A 19 -13.945 -2.438 4.793 1.00 33.42 H new ATOM 0 HG2 PRO A 19 -14.325 -1.746 7.736 1.00 12.23 H new ATOM 0 HG3 PRO A 19 -14.877 -3.168 6.873 1.00 12.23 H new ATOM 0 HD2 PRO A 19 -12.594 -3.230 8.383 1.00 14.20 H new ATOM 0 HD3 PRO A 19 -12.749 -4.203 6.933 1.00 14.20 H new ATOM 314 N SER A 20 -11.698 0.164 7.496 1.00 71.40 N ATOM 315 CA SER A 20 -11.422 1.409 8.187 1.00 24.31 C ATOM 316 C SER A 20 -9.912 1.669 8.289 1.00 25.00 C ATOM 317 O SER A 20 -9.513 2.550 9.054 1.00 4.03 O ATOM 318 CB SER A 20 -12.008 1.302 9.608 1.00 43.43 C ATOM 319 OG SER A 20 -13.229 0.589 9.618 1.00 70.41 O ATOM 0 H SER A 20 -11.624 -0.637 8.123 1.00 71.40 H new ATOM 0 HA SER A 20 -11.870 2.232 7.631 1.00 24.31 H new ATOM 0 HB2 SER A 20 -11.291 0.805 10.261 1.00 43.43 H new ATOM 0 HB3 SER A 20 -12.167 2.302 10.012 1.00 43.43 H new ATOM 0 HG SER A 20 -13.571 0.539 10.535 1.00 70.41 H new ATOM 325 N ASP A 21 -9.058 0.874 7.633 1.00 42.23 N ATOM 326 CA ASP A 21 -7.614 1.063 7.711 1.00 24.23 C ATOM 327 C ASP A 21 -7.228 2.140 6.724 1.00 55.44 C ATOM 328 O ASP A 21 -7.461 2.015 5.520 1.00 20.52 O ATOM 329 CB ASP A 21 -6.814 -0.239 7.539 1.00 15.05 C ATOM 330 CG ASP A 21 -6.656 -1.038 8.843 1.00 73.35 C ATOM 331 OD1 ASP A 21 -6.861 -0.491 9.945 1.00 70.43 O ATOM 332 OD2 ASP A 21 -6.224 -2.213 8.772 1.00 23.31 O ATOM 0 H ASP A 21 -9.348 0.094 7.043 1.00 42.23 H new ATOM 0 HA ASP A 21 -7.350 1.387 8.718 1.00 24.23 H new ATOM 0 HB2 ASP A 21 -7.309 -0.865 6.796 1.00 15.05 H new ATOM 0 HB3 ASP A 21 -5.826 0.000 7.147 1.00 15.05 H new ATOM 337 N THR A 22 -6.636 3.197 7.254 1.00 75.02 N ATOM 338 CA THR A 22 -6.187 4.366 6.539 1.00 64.20 C ATOM 339 C THR A 22 -4.892 4.076 5.780 1.00 63.22 C ATOM 340 O THR A 22 -4.118 3.180 6.153 1.00 23.31 O ATOM 341 CB THR A 22 -5.911 5.437 7.618 1.00 41.31 C ATOM 342 OG1 THR A 22 -5.087 4.893 8.630 1.00 35.30 O ATOM 343 CG2 THR A 22 -7.186 5.966 8.286 1.00 32.41 C ATOM 0 H THR A 22 -6.448 3.259 8.255 1.00 75.02 H new ATOM 0 HA THR A 22 -6.932 4.687 5.811 1.00 64.20 H new ATOM 0 HB THR A 22 -5.427 6.268 7.105 1.00 41.31 H new ATOM 0 HG1 THR A 22 -4.913 5.575 9.312 1.00 35.30 H new ATOM 0 HG21 THR A 22 -6.922 6.714 9.033 1.00 32.41 H new ATOM 0 HG22 THR A 22 -7.831 6.418 7.532 1.00 32.41 H new ATOM 0 HG23 THR A 22 -7.713 5.142 8.768 1.00 32.41 H new ATOM 351 N ILE A 23 -4.587 4.915 4.784 1.00 62.44 N ATOM 352 CA ILE A 23 -3.348 4.774 4.013 1.00 62.55 C ATOM 353 C ILE A 23 -2.129 4.886 4.956 1.00 2.53 C ATOM 354 O ILE A 23 -1.105 4.232 4.735 1.00 62.35 O ATOM 355 CB ILE A 23 -3.340 5.786 2.843 1.00 72.55 C ATOM 356 CG1 ILE A 23 -2.209 5.451 1.845 1.00 33.51 C ATOM 357 CG2 ILE A 23 -3.276 7.249 3.317 1.00 5.02 C ATOM 358 CD1 ILE A 23 -2.099 6.398 0.645 1.00 11.12 C ATOM 0 H ILE A 23 -5.178 5.694 4.494 1.00 62.44 H new ATOM 0 HA ILE A 23 -3.287 3.786 3.557 1.00 62.55 H new ATOM 0 HB ILE A 23 -4.293 5.687 2.324 1.00 72.55 H new ATOM 0 HG12 ILE A 23 -1.260 5.456 2.381 1.00 33.51 H new ATOM 0 HG13 ILE A 23 -2.361 4.437 1.475 1.00 33.51 H new ATOM 0 HG21 ILE A 23 -3.273 7.912 2.452 1.00 5.02 H new ATOM 0 HG22 ILE A 23 -4.144 7.468 3.939 1.00 5.02 H new ATOM 0 HG23 ILE A 23 -2.366 7.404 3.896 1.00 5.02 H new ATOM 0 HD11 ILE A 23 -1.277 6.079 0.004 1.00 11.12 H new ATOM 0 HD12 ILE A 23 -3.030 6.377 0.078 1.00 11.12 H new ATOM 0 HD13 ILE A 23 -1.912 7.412 0.998 1.00 11.12 H new ATOM 370 N GLU A 24 -2.245 5.682 6.032 1.00 63.44 N ATOM 371 CA GLU A 24 -1.195 5.880 7.025 1.00 45.40 C ATOM 372 C GLU A 24 -1.000 4.605 7.857 1.00 23.24 C ATOM 373 O GLU A 24 0.116 4.312 8.297 1.00 30.35 O ATOM 374 CB GLU A 24 -1.547 7.085 7.912 1.00 23.42 C ATOM 375 CG GLU A 24 -0.376 7.509 8.817 1.00 50.33 C ATOM 376 CD GLU A 24 -0.690 8.725 9.696 1.00 24.43 C ATOM 377 OE1 GLU A 24 -1.224 9.734 9.188 1.00 0.52 O ATOM 378 OE2 GLU A 24 -0.327 8.709 10.900 1.00 2.31 O ATOM 0 H GLU A 24 -3.092 6.213 6.233 1.00 63.44 H new ATOM 0 HA GLU A 24 -0.251 6.090 6.522 1.00 45.40 H new ATOM 0 HB2 GLU A 24 -1.837 7.925 7.281 1.00 23.42 H new ATOM 0 HB3 GLU A 24 -2.410 6.838 8.531 1.00 23.42 H new ATOM 0 HG2 GLU A 24 -0.100 6.671 9.456 1.00 50.33 H new ATOM 0 HG3 GLU A 24 0.490 7.735 8.195 1.00 50.33 H new ATOM 385 N ASN A 25 -2.061 3.823 8.083 1.00 51.03 N ATOM 386 CA ASN A 25 -1.941 2.591 8.850 1.00 61.15 C ATOM 387 C ASN A 25 -1.173 1.573 8.013 1.00 71.52 C ATOM 388 O ASN A 25 -0.183 1.001 8.462 1.00 32.11 O ATOM 389 CB ASN A 25 -3.319 2.040 9.248 1.00 61.51 C ATOM 390 CG ASN A 25 -3.204 1.117 10.451 1.00 75.35 C ATOM 391 OD1 ASN A 25 -2.914 1.582 11.548 1.00 65.43 O ATOM 392 ND2 ASN A 25 -3.410 -0.176 10.311 1.00 64.44 N ATOM 0 H ASN A 25 -3.003 4.024 7.746 1.00 51.03 H new ATOM 0 HA ASN A 25 -1.402 2.795 9.775 1.00 61.15 H new ATOM 0 HB2 ASN A 25 -3.993 2.865 9.480 1.00 61.51 H new ATOM 0 HB3 ASN A 25 -3.755 1.498 8.409 1.00 61.51 H new ATOM 0 HD21 ASN A 25 -3.329 -0.796 11.117 1.00 64.44 H new ATOM 0 HD22 ASN A 25 -3.651 -0.558 9.396 1.00 64.44 H new ATOM 399 N VAL A 26 -1.561 1.414 6.745 1.00 62.00 N ATOM 400 CA VAL A 26 -0.931 0.468 5.828 1.00 12.31 C ATOM 401 C VAL A 26 0.532 0.822 5.561 1.00 74.40 C ATOM 402 O VAL A 26 1.353 -0.098 5.518 1.00 71.12 O ATOM 403 CB VAL A 26 -1.789 0.340 4.557 1.00 4.13 C ATOM 404 CG1 VAL A 26 -1.195 -0.590 3.481 1.00 53.13 C ATOM 405 CG2 VAL A 26 -3.164 -0.197 4.971 1.00 35.13 C ATOM 0 H VAL A 26 -2.326 1.943 6.326 1.00 62.00 H new ATOM 0 HA VAL A 26 -0.891 -0.519 6.290 1.00 12.31 H new ATOM 0 HB VAL A 26 -1.841 1.330 4.104 1.00 4.13 H new ATOM 0 HG11 VAL A 26 -1.863 -0.623 2.620 1.00 53.13 H new ATOM 0 HG12 VAL A 26 -0.221 -0.212 3.171 1.00 53.13 H new ATOM 0 HG13 VAL A 26 -1.081 -1.594 3.890 1.00 53.13 H new ATOM 0 HG21 VAL A 26 -3.796 -0.298 4.089 1.00 35.13 H new ATOM 0 HG22 VAL A 26 -3.046 -1.171 5.447 1.00 35.13 H new ATOM 0 HG23 VAL A 26 -3.629 0.496 5.672 1.00 35.13 H new ATOM 415 N LYS A 27 0.895 2.106 5.408 1.00 71.15 N ATOM 416 CA LYS A 27 2.304 2.436 5.172 1.00 64.21 C ATOM 417 C LYS A 27 3.129 2.000 6.387 1.00 15.43 C ATOM 418 O LYS A 27 4.228 1.477 6.215 1.00 42.42 O ATOM 419 CB LYS A 27 2.522 3.882 4.678 1.00 15.32 C ATOM 420 CG LYS A 27 2.145 5.003 5.656 1.00 22.12 C ATOM 421 CD LYS A 27 3.358 5.679 6.303 1.00 75.15 C ATOM 422 CE LYS A 27 2.933 6.618 7.438 1.00 71.25 C ATOM 423 NZ LYS A 27 4.100 7.224 8.112 1.00 43.42 N ATOM 0 H LYS A 27 0.259 2.902 5.442 1.00 71.15 H new ATOM 0 HA LYS A 27 2.680 1.864 4.324 1.00 64.21 H new ATOM 0 HB2 LYS A 27 3.573 3.998 4.415 1.00 15.32 H new ATOM 0 HB3 LYS A 27 1.947 4.020 3.762 1.00 15.32 H new ATOM 0 HG2 LYS A 27 1.559 5.754 5.127 1.00 22.12 H new ATOM 0 HG3 LYS A 27 1.506 4.593 6.438 1.00 22.12 H new ATOM 0 HD2 LYS A 27 4.036 4.919 6.691 1.00 75.15 H new ATOM 0 HD3 LYS A 27 3.908 6.242 5.549 1.00 75.15 H new ATOM 0 HE2 LYS A 27 2.294 7.406 7.039 1.00 71.25 H new ATOM 0 HE3 LYS A 27 2.340 6.064 8.166 1.00 71.25 H new ATOM 0 HZ1 LYS A 27 3.781 7.757 8.946 1.00 43.42 H new ATOM 0 HZ2 LYS A 27 4.756 6.475 8.411 1.00 43.42 H new ATOM 0 HZ3 LYS A 27 4.585 7.867 7.454 1.00 43.42 H new ATOM 437 N ALA A 28 2.621 2.169 7.612 1.00 54.22 N ATOM 438 CA ALA A 28 3.340 1.739 8.806 1.00 30.13 C ATOM 439 C ALA A 28 3.496 0.209 8.796 1.00 10.32 C ATOM 440 O ALA A 28 4.564 -0.291 9.129 1.00 63.24 O ATOM 441 CB ALA A 28 2.642 2.227 10.068 1.00 3.34 C ATOM 0 H ALA A 28 1.716 2.600 7.798 1.00 54.22 H new ATOM 0 HA ALA A 28 4.335 2.183 8.802 1.00 30.13 H new ATOM 0 HB1 ALA A 28 3.198 1.893 10.944 1.00 3.34 H new ATOM 0 HB2 ALA A 28 2.597 3.316 10.061 1.00 3.34 H new ATOM 0 HB3 ALA A 28 1.631 1.822 10.104 1.00 3.34 H new ATOM 447 N LYS A 29 2.481 -0.547 8.347 1.00 64.12 N ATOM 448 CA LYS A 29 2.579 -2.011 8.318 1.00 71.02 C ATOM 449 C LYS A 29 3.796 -2.471 7.518 1.00 51.24 C ATOM 450 O LYS A 29 4.516 -3.367 7.957 1.00 55.14 O ATOM 451 CB LYS A 29 1.297 -2.666 7.774 1.00 71.34 C ATOM 452 CG LYS A 29 0.019 -2.433 8.593 1.00 14.30 C ATOM 453 CD LYS A 29 0.151 -2.834 10.070 1.00 3.21 C ATOM 454 CE LYS A 29 -1.154 -2.654 10.852 1.00 20.30 C ATOM 455 NZ LYS A 29 -2.258 -3.463 10.298 1.00 4.01 N ATOM 0 H LYS A 29 1.596 -0.173 8.004 1.00 64.12 H new ATOM 0 HA LYS A 29 2.703 -2.337 9.351 1.00 71.02 H new ATOM 0 HB2 LYS A 29 1.127 -2.299 6.762 1.00 71.34 H new ATOM 0 HB3 LYS A 29 1.466 -3.740 7.700 1.00 71.34 H new ATOM 0 HG2 LYS A 29 -0.252 -1.379 8.535 1.00 14.30 H new ATOM 0 HG3 LYS A 29 -0.798 -2.998 8.144 1.00 14.30 H new ATOM 0 HD2 LYS A 29 0.466 -3.876 10.132 1.00 3.21 H new ATOM 0 HD3 LYS A 29 0.934 -2.236 10.536 1.00 3.21 H new ATOM 0 HE2 LYS A 29 -0.991 -2.931 11.894 1.00 20.30 H new ATOM 0 HE3 LYS A 29 -1.438 -1.602 10.843 1.00 20.30 H new ATOM 0 HZ1 LYS A 29 -3.054 -3.469 10.968 1.00 4.01 H new ATOM 0 HZ2 LYS A 29 -2.569 -3.053 9.394 1.00 4.01 H new ATOM 0 HZ3 LYS A 29 -1.930 -4.437 10.141 1.00 4.01 H new ATOM 469 N ILE A 30 4.003 -1.922 6.316 1.00 33.14 N ATOM 470 CA ILE A 30 5.162 -2.290 5.507 1.00 71.25 C ATOM 471 C ILE A 30 6.461 -1.696 6.094 1.00 73.45 C ATOM 472 O ILE A 30 7.523 -2.283 5.885 1.00 2.14 O ATOM 473 CB ILE A 30 4.910 -1.983 4.012 1.00 40.31 C ATOM 474 CG1 ILE A 30 6.065 -2.396 3.076 1.00 41.12 C ATOM 475 CG2 ILE A 30 4.557 -0.514 3.778 1.00 72.12 C ATOM 476 CD1 ILE A 30 6.325 -3.905 3.072 1.00 11.12 C ATOM 0 H ILE A 30 3.389 -1.229 5.889 1.00 33.14 H new ATOM 0 HA ILE A 30 5.311 -3.369 5.549 1.00 71.25 H new ATOM 0 HB ILE A 30 4.054 -2.605 3.752 1.00 40.31 H new ATOM 0 HG12 ILE A 30 5.837 -2.070 2.061 1.00 41.12 H new ATOM 0 HG13 ILE A 30 6.974 -1.878 3.380 1.00 41.12 H new ATOM 0 HG21 ILE A 30 4.389 -0.345 2.714 1.00 72.12 H new ATOM 0 HG22 ILE A 30 3.652 -0.264 4.333 1.00 72.12 H new ATOM 0 HG23 ILE A 30 5.378 0.116 4.120 1.00 72.12 H new ATOM 0 HD11 ILE A 30 7.149 -4.131 2.394 1.00 11.12 H new ATOM 0 HD12 ILE A 30 6.584 -4.232 4.079 1.00 11.12 H new ATOM 0 HD13 ILE A 30 5.428 -4.428 2.740 1.00 11.12 H new ATOM 488 N GLN A 31 6.409 -0.565 6.815 1.00 53.45 N ATOM 489 CA GLN A 31 7.585 0.072 7.416 1.00 51.02 C ATOM 490 C GLN A 31 8.250 -0.909 8.377 1.00 0.42 C ATOM 491 O GLN A 31 9.458 -1.110 8.285 1.00 33.14 O ATOM 492 CB GLN A 31 7.196 1.391 8.126 1.00 62.13 C ATOM 493 CG GLN A 31 8.332 2.130 8.859 1.00 22.12 C ATOM 494 CD GLN A 31 8.698 1.535 10.226 1.00 61.24 C ATOM 495 OE1 GLN A 31 7.860 0.988 10.937 1.00 64.15 O ATOM 496 NE2 GLN A 31 9.946 1.658 10.640 1.00 32.00 N ATOM 0 H GLN A 31 5.539 -0.064 6.997 1.00 53.45 H new ATOM 0 HA GLN A 31 8.297 0.332 6.633 1.00 51.02 H new ATOM 0 HB2 GLN A 31 6.771 2.067 7.384 1.00 62.13 H new ATOM 0 HB3 GLN A 31 6.408 1.172 8.847 1.00 62.13 H new ATOM 0 HG2 GLN A 31 9.219 2.126 8.226 1.00 22.12 H new ATOM 0 HG3 GLN A 31 8.042 3.172 8.996 1.00 22.12 H new ATOM 0 HE21 GLN A 31 10.638 2.113 10.045 1.00 32.00 H new ATOM 0 HE22 GLN A 31 10.218 1.298 11.555 1.00 32.00 H new ATOM 505 N ASP A 32 7.483 -1.561 9.248 1.00 2.33 N ATOM 506 CA ASP A 32 8.040 -2.509 10.211 1.00 31.43 C ATOM 507 C ASP A 32 8.718 -3.705 9.532 1.00 20.00 C ATOM 508 O ASP A 32 9.724 -4.219 10.024 1.00 22.30 O ATOM 509 CB ASP A 32 6.927 -3.004 11.139 1.00 4.11 C ATOM 510 CG ASP A 32 7.473 -3.983 12.177 1.00 54.23 C ATOM 511 OD1 ASP A 32 8.421 -3.631 12.912 1.00 60.33 O ATOM 512 OD2 ASP A 32 6.930 -5.104 12.310 1.00 64.43 O ATOM 0 H ASP A 32 6.471 -1.450 9.307 1.00 2.33 H new ATOM 0 HA ASP A 32 8.807 -1.985 10.782 1.00 31.43 H new ATOM 0 HB2 ASP A 32 6.465 -2.155 11.643 1.00 4.11 H new ATOM 0 HB3 ASP A 32 6.148 -3.489 10.551 1.00 4.11 H new ATOM 517 N LYS A 33 8.190 -4.127 8.376 1.00 35.52 N ATOM 518 CA LYS A 33 8.700 -5.262 7.613 1.00 54.10 C ATOM 519 C LYS A 33 9.886 -4.924 6.711 1.00 52.11 C ATOM 520 O LYS A 33 10.698 -5.817 6.473 1.00 23.50 O ATOM 521 CB LYS A 33 7.567 -5.878 6.771 1.00 12.14 C ATOM 522 CG LYS A 33 6.415 -6.413 7.640 1.00 13.41 C ATOM 523 CD LYS A 33 5.326 -7.138 6.836 1.00 42.11 C ATOM 524 CE LYS A 33 5.802 -8.541 6.443 1.00 23.44 C ATOM 525 NZ LYS A 33 4.783 -9.313 5.707 1.00 35.12 N ATOM 0 H LYS A 33 7.383 -3.679 7.942 1.00 35.52 H new ATOM 0 HA LYS A 33 9.069 -5.978 8.347 1.00 54.10 H new ATOM 0 HB2 LYS A 33 7.180 -5.127 6.082 1.00 12.14 H new ATOM 0 HB3 LYS A 33 7.969 -6.690 6.165 1.00 12.14 H new ATOM 0 HG2 LYS A 33 6.820 -7.097 8.386 1.00 13.41 H new ATOM 0 HG3 LYS A 33 5.963 -5.582 8.182 1.00 13.41 H new ATOM 0 HD2 LYS A 33 4.413 -7.208 7.428 1.00 42.11 H new ATOM 0 HD3 LYS A 33 5.082 -6.565 5.941 1.00 42.11 H new ATOM 0 HE2 LYS A 33 6.698 -8.455 5.828 1.00 23.44 H new ATOM 0 HE3 LYS A 33 6.084 -9.088 7.343 1.00 23.44 H new ATOM 0 HZ1 LYS A 33 5.163 -10.251 5.469 1.00 35.12 H new ATOM 0 HZ2 LYS A 33 3.936 -9.423 6.300 1.00 35.12 H new ATOM 0 HZ3 LYS A 33 4.531 -8.810 4.832 1.00 35.12 H new ATOM 539 N GLU A 34 10.049 -3.693 6.221 1.00 75.24 N ATOM 540 CA GLU A 34 11.158 -3.324 5.333 1.00 14.43 C ATOM 541 C GLU A 34 12.191 -2.423 6.022 1.00 34.54 C ATOM 542 O GLU A 34 13.254 -2.191 5.454 1.00 35.32 O ATOM 543 CB GLU A 34 10.580 -2.664 4.065 1.00 12.24 C ATOM 544 CG GLU A 34 9.898 -3.647 3.097 1.00 65.34 C ATOM 545 CD GLU A 34 10.855 -4.539 2.288 1.00 41.04 C ATOM 546 OE1 GLU A 34 12.086 -4.509 2.492 1.00 14.24 O ATOM 547 OE2 GLU A 34 10.351 -5.301 1.422 1.00 33.45 O ATOM 0 H GLU A 34 9.415 -2.921 6.428 1.00 75.24 H new ATOM 0 HA GLU A 34 11.700 -4.229 5.058 1.00 14.43 H new ATOM 0 HB2 GLU A 34 9.857 -1.904 4.362 1.00 12.24 H new ATOM 0 HB3 GLU A 34 11.384 -2.151 3.537 1.00 12.24 H new ATOM 0 HG2 GLU A 34 9.226 -4.287 3.668 1.00 65.34 H new ATOM 0 HG3 GLU A 34 9.282 -3.078 2.401 1.00 65.34 H new ATOM 554 N GLY A 35 11.898 -1.909 7.218 1.00 65.11 N ATOM 555 CA GLY A 35 12.744 -1.043 8.034 1.00 44.42 C ATOM 556 C GLY A 35 13.119 0.306 7.412 1.00 64.43 C ATOM 557 O GLY A 35 13.774 1.107 8.076 1.00 13.04 O ATOM 0 H GLY A 35 11.004 -2.101 7.670 1.00 65.11 H new ATOM 0 HA2 GLY A 35 12.234 -0.856 8.979 1.00 44.42 H new ATOM 0 HA3 GLY A 35 13.663 -1.581 8.268 1.00 44.42 H new ATOM 561 N ILE A 36 12.652 0.629 6.203 1.00 20.40 N ATOM 562 CA ILE A 36 12.978 1.892 5.531 1.00 50.41 C ATOM 563 C ILE A 36 11.895 2.947 5.795 1.00 31.13 C ATOM 564 O ILE A 36 10.760 2.590 6.122 1.00 13.22 O ATOM 565 CB ILE A 36 13.254 1.652 4.022 1.00 10.23 C ATOM 566 CG1 ILE A 36 12.189 0.854 3.237 1.00 13.32 C ATOM 567 CG2 ILE A 36 14.607 0.934 3.877 1.00 73.32 C ATOM 568 CD1 ILE A 36 10.913 1.627 2.888 1.00 33.30 C ATOM 0 H ILE A 36 12.037 0.022 5.661 1.00 20.40 H new ATOM 0 HA ILE A 36 13.900 2.295 5.951 1.00 50.41 H new ATOM 0 HB ILE A 36 13.239 2.647 3.578 1.00 10.23 H new ATOM 0 HG12 ILE A 36 12.639 0.493 2.312 1.00 13.32 H new ATOM 0 HG13 ILE A 36 11.913 -0.024 3.822 1.00 13.32 H new ATOM 0 HG21 ILE A 36 14.814 0.759 2.821 1.00 73.32 H new ATOM 0 HG22 ILE A 36 15.395 1.554 4.304 1.00 73.32 H new ATOM 0 HG23 ILE A 36 14.571 -0.020 4.403 1.00 73.32 H new ATOM 0 HD11 ILE A 36 10.232 0.977 2.338 1.00 33.30 H new ATOM 0 HD12 ILE A 36 10.430 1.965 3.805 1.00 33.30 H new ATOM 0 HD13 ILE A 36 11.167 2.490 2.272 1.00 33.30 H new ATOM 580 N PRO A 37 12.201 4.255 5.689 1.00 5.50 N ATOM 581 CA PRO A 37 11.197 5.283 5.912 1.00 32.43 C ATOM 582 C PRO A 37 10.125 5.223 4.802 1.00 61.25 C ATOM 583 O PRO A 37 10.415 4.811 3.674 1.00 31.22 O ATOM 584 CB PRO A 37 11.950 6.609 5.994 1.00 15.22 C ATOM 585 CG PRO A 37 13.275 6.363 5.277 1.00 21.11 C ATOM 586 CD PRO A 37 13.488 4.849 5.342 1.00 73.35 C ATOM 0 HA PRO A 37 10.642 5.144 6.840 1.00 32.43 H new ATOM 0 HB2 PRO A 37 11.387 7.411 5.517 1.00 15.22 H new ATOM 0 HB3 PRO A 37 12.112 6.906 7.030 1.00 15.22 H new ATOM 0 HG2 PRO A 37 13.236 6.712 4.245 1.00 21.11 H new ATOM 0 HG3 PRO A 37 14.091 6.897 5.763 1.00 21.11 H new ATOM 0 HD2 PRO A 37 13.844 4.468 4.385 1.00 73.35 H new ATOM 0 HD3 PRO A 37 14.243 4.597 6.086 1.00 73.35 H new ATOM 594 N PRO A 38 8.887 5.668 5.078 1.00 41.24 N ATOM 595 CA PRO A 38 7.775 5.633 4.133 1.00 63.02 C ATOM 596 C PRO A 38 8.010 6.446 2.874 1.00 72.35 C ATOM 597 O PRO A 38 7.632 6.012 1.792 1.00 21.40 O ATOM 598 CB PRO A 38 6.561 6.175 4.894 1.00 32.22 C ATOM 599 CG PRO A 38 7.189 7.010 5.998 1.00 24.42 C ATOM 600 CD PRO A 38 8.430 6.197 6.344 1.00 22.31 C ATOM 0 HA PRO A 38 7.636 4.611 3.781 1.00 63.02 H new ATOM 0 HB2 PRO A 38 5.918 6.776 4.251 1.00 32.22 H new ATOM 0 HB3 PRO A 38 5.946 5.370 5.298 1.00 32.22 H new ATOM 0 HG2 PRO A 38 7.441 8.014 5.657 1.00 24.42 H new ATOM 0 HG3 PRO A 38 6.523 7.122 6.854 1.00 24.42 H new ATOM 0 HD2 PRO A 38 9.193 6.819 6.812 1.00 22.31 H new ATOM 0 HD3 PRO A 38 8.196 5.397 7.046 1.00 22.31 H new ATOM 608 N ASP A 39 8.667 7.594 2.973 1.00 21.33 N ATOM 609 CA ASP A 39 8.922 8.451 1.818 1.00 22.31 C ATOM 610 C ASP A 39 9.871 7.761 0.838 1.00 45.10 C ATOM 611 O ASP A 39 9.957 8.143 -0.330 1.00 73.33 O ATOM 612 CB ASP A 39 9.480 9.804 2.268 1.00 20.23 C ATOM 613 CG ASP A 39 8.621 10.447 3.349 1.00 13.30 C ATOM 614 OD1 ASP A 39 7.484 10.860 3.035 1.00 72.11 O ATOM 615 OD2 ASP A 39 9.059 10.489 4.524 1.00 10.24 O ATOM 0 H ASP A 39 9.037 7.958 3.851 1.00 21.33 H new ATOM 0 HA ASP A 39 7.979 8.631 1.302 1.00 22.31 H new ATOM 0 HB2 ASP A 39 10.495 9.670 2.643 1.00 20.23 H new ATOM 0 HB3 ASP A 39 9.543 10.473 1.410 1.00 20.23 H new ATOM 620 N GLN A 40 10.609 6.745 1.299 1.00 73.22 N ATOM 621 CA GLN A 40 11.537 5.983 0.485 1.00 40.14 C ATOM 622 C GLN A 40 10.788 4.936 -0.355 1.00 34.42 C ATOM 623 O GLN A 40 11.432 4.230 -1.133 1.00 40.14 O ATOM 624 CB GLN A 40 12.602 5.335 1.392 1.00 74.43 C ATOM 625 CG GLN A 40 14.028 5.464 0.843 1.00 34.12 C ATOM 626 CD GLN A 40 14.520 6.912 0.884 1.00 63.33 C ATOM 627 OE1 GLN A 40 14.866 7.434 1.941 1.00 3.52 O ATOM 628 NE2 GLN A 40 14.593 7.577 -0.258 1.00 54.01 N ATOM 0 H GLN A 40 10.570 6.430 2.269 1.00 73.22 H new ATOM 0 HA GLN A 40 12.042 6.650 -0.213 1.00 40.14 H new ATOM 0 HB2 GLN A 40 12.557 5.796 2.379 1.00 74.43 H new ATOM 0 HB3 GLN A 40 12.365 4.279 1.522 1.00 74.43 H new ATOM 0 HG2 GLN A 40 14.701 4.834 1.425 1.00 34.12 H new ATOM 0 HG3 GLN A 40 14.058 5.098 -0.183 1.00 34.12 H new ATOM 0 HE21 GLN A 40 14.302 7.130 -1.128 1.00 54.01 H new ATOM 0 HE22 GLN A 40 14.940 8.536 -0.268 1.00 54.01 H new ATOM 637 N GLN A 41 9.471 4.781 -0.183 1.00 21.42 N ATOM 638 CA GLN A 41 8.622 3.843 -0.919 1.00 2.00 C ATOM 639 C GLN A 41 7.392 4.597 -1.435 1.00 54.20 C ATOM 640 O GLN A 41 7.107 5.700 -0.976 1.00 44.31 O ATOM 641 CB GLN A 41 8.269 2.611 -0.066 1.00 43.23 C ATOM 642 CG GLN A 41 7.661 2.963 1.296 1.00 10.24 C ATOM 643 CD GLN A 41 7.001 1.790 2.006 1.00 65.20 C ATOM 644 OE1 GLN A 41 5.927 1.941 2.576 1.00 22.21 O ATOM 645 NE2 GLN A 41 7.599 0.609 2.023 1.00 1.24 N ATOM 0 H GLN A 41 8.948 5.328 0.501 1.00 21.42 H new ATOM 0 HA GLN A 41 9.162 3.446 -1.779 1.00 2.00 H new ATOM 0 HB2 GLN A 41 7.567 1.986 -0.618 1.00 43.23 H new ATOM 0 HB3 GLN A 41 9.170 2.017 0.090 1.00 43.23 H new ATOM 0 HG2 GLN A 41 8.444 3.368 1.937 1.00 10.24 H new ATOM 0 HG3 GLN A 41 6.922 3.752 1.158 1.00 10.24 H new ATOM 0 HE21 GLN A 41 8.493 0.483 1.548 1.00 1.24 H new ATOM 0 HE22 GLN A 41 7.166 -0.175 2.511 1.00 1.24 H new ATOM 654 N ARG A 42 6.665 4.041 -2.409 1.00 31.12 N ATOM 655 CA ARG A 42 5.483 4.688 -2.996 1.00 60.23 C ATOM 656 C ARG A 42 4.440 3.651 -3.408 1.00 22.25 C ATOM 657 O ARG A 42 4.785 2.472 -3.538 1.00 41.44 O ATOM 658 CB ARG A 42 5.878 5.561 -4.198 1.00 34.21 C ATOM 659 CG ARG A 42 6.962 6.621 -3.908 1.00 3.03 C ATOM 660 CD ARG A 42 7.329 7.453 -5.137 1.00 44.21 C ATOM 661 NE ARG A 42 7.768 6.595 -6.252 1.00 52.40 N ATOM 662 CZ ARG A 42 9.003 6.399 -6.721 1.00 74.43 C ATOM 663 NH1 ARG A 42 10.043 7.066 -6.243 1.00 14.34 N ATOM 664 NH2 ARG A 42 9.200 5.511 -7.685 1.00 65.33 N ATOM 0 H ARG A 42 6.878 3.129 -2.814 1.00 31.12 H new ATOM 0 HA ARG A 42 5.042 5.331 -2.235 1.00 60.23 H new ATOM 0 HB2 ARG A 42 6.232 4.911 -4.999 1.00 34.21 H new ATOM 0 HB3 ARG A 42 4.987 6.067 -4.569 1.00 34.21 H new ATOM 0 HG2 ARG A 42 6.611 7.285 -3.118 1.00 3.03 H new ATOM 0 HG3 ARG A 42 7.857 6.124 -3.532 1.00 3.03 H new ATOM 0 HD2 ARG A 42 6.469 8.045 -5.448 1.00 44.21 H new ATOM 0 HD3 ARG A 42 8.123 8.154 -4.880 1.00 44.21 H new ATOM 0 HE ARG A 42 7.028 6.081 -6.730 1.00 52.40 H new ATOM 0 HH11 ARG A 42 9.912 7.750 -5.498 1.00 14.34 H new ATOM 0 HH12 ARG A 42 10.975 6.896 -6.620 1.00 14.34 H new ATOM 0 HH21 ARG A 42 8.412 4.984 -8.062 1.00 65.33 H new ATOM 0 HH22 ARG A 42 10.140 5.354 -8.050 1.00 65.33 H new ATOM 678 N LEU A 43 3.177 4.063 -3.546 1.00 74.23 N ATOM 679 CA LEU A 43 2.041 3.229 -3.937 1.00 13.32 C ATOM 680 C LEU A 43 1.234 3.935 -5.027 1.00 41.54 C ATOM 681 O LEU A 43 0.963 5.134 -4.945 1.00 1.45 O ATOM 682 CB LEU A 43 1.104 2.971 -2.744 1.00 24.51 C ATOM 683 CG LEU A 43 1.563 1.879 -1.765 1.00 65.30 C ATOM 684 CD1 LEU A 43 0.849 2.056 -0.424 1.00 1.32 C ATOM 685 CD2 LEU A 43 1.252 0.475 -2.300 1.00 5.40 C ATOM 0 H LEU A 43 2.908 5.033 -3.380 1.00 74.23 H new ATOM 0 HA LEU A 43 2.436 2.280 -4.299 1.00 13.32 H new ATOM 0 HB2 LEU A 43 0.984 3.903 -2.191 1.00 24.51 H new ATOM 0 HB3 LEU A 43 0.121 2.699 -3.129 1.00 24.51 H new ATOM 0 HG LEU A 43 2.642 1.978 -1.644 1.00 65.30 H new ATOM 0 HD11 LEU A 43 1.177 1.280 0.268 1.00 1.32 H new ATOM 0 HD12 LEU A 43 1.089 3.036 -0.011 1.00 1.32 H new ATOM 0 HD13 LEU A 43 -0.228 1.979 -0.572 1.00 1.32 H new ATOM 0 HD21 LEU A 43 1.591 -0.271 -1.581 1.00 5.40 H new ATOM 0 HD22 LEU A 43 0.177 0.373 -2.450 1.00 5.40 H new ATOM 0 HD23 LEU A 43 1.767 0.325 -3.249 1.00 5.40 H new ATOM 697 N ILE A 44 0.867 3.195 -6.071 1.00 0.23 N ATOM 698 CA ILE A 44 0.072 3.651 -7.208 1.00 10.04 C ATOM 699 C ILE A 44 -0.973 2.566 -7.481 1.00 30.44 C ATOM 700 O ILE A 44 -0.692 1.379 -7.284 1.00 4.43 O ATOM 701 CB ILE A 44 0.933 4.018 -8.445 1.00 52.13 C ATOM 702 CG1 ILE A 44 1.532 2.790 -9.169 1.00 13.23 C ATOM 703 CG2 ILE A 44 2.040 5.024 -8.068 1.00 4.41 C ATOM 704 CD1 ILE A 44 2.208 3.129 -10.501 1.00 72.24 C ATOM 0 H ILE A 44 1.129 2.212 -6.150 1.00 0.23 H new ATOM 0 HA ILE A 44 -0.427 4.591 -6.972 1.00 10.04 H new ATOM 0 HB ILE A 44 0.252 4.487 -9.155 1.00 52.13 H new ATOM 0 HG12 ILE A 44 2.260 2.312 -8.513 1.00 13.23 H new ATOM 0 HG13 ILE A 44 0.740 2.063 -9.348 1.00 13.23 H new ATOM 0 HG21 ILE A 44 2.629 5.265 -8.953 1.00 4.41 H new ATOM 0 HG22 ILE A 44 1.586 5.934 -7.675 1.00 4.41 H new ATOM 0 HG23 ILE A 44 2.688 4.585 -7.309 1.00 4.41 H new ATOM 0 HD11 ILE A 44 2.604 2.218 -10.950 1.00 72.24 H new ATOM 0 HD12 ILE A 44 1.479 3.579 -11.175 1.00 72.24 H new ATOM 0 HD13 ILE A 44 3.023 3.832 -10.327 1.00 72.24 H new ATOM 716 N PHE A 45 -2.188 2.942 -7.859 1.00 61.34 N ATOM 717 CA PHE A 45 -3.269 2.007 -8.161 1.00 0.35 C ATOM 718 C PHE A 45 -3.934 2.478 -9.448 1.00 1.11 C ATOM 719 O PHE A 45 -4.147 3.681 -9.614 1.00 4.31 O ATOM 720 CB PHE A 45 -4.249 1.956 -6.983 1.00 11.21 C ATOM 721 CG PHE A 45 -5.551 1.245 -7.294 1.00 4.04 C ATOM 722 CD1 PHE A 45 -5.530 -0.066 -7.801 1.00 0.34 C ATOM 723 CD2 PHE A 45 -6.781 1.907 -7.131 1.00 14.44 C ATOM 724 CE1 PHE A 45 -6.720 -0.691 -8.201 1.00 40.11 C ATOM 725 CE2 PHE A 45 -7.977 1.270 -7.501 1.00 24.21 C ATOM 726 CZ PHE A 45 -7.943 -0.019 -8.062 1.00 54.41 C ATOM 0 H PHE A 45 -2.456 3.920 -7.967 1.00 61.34 H new ATOM 0 HA PHE A 45 -2.897 0.993 -8.305 1.00 0.35 H new ATOM 0 HB2 PHE A 45 -3.766 1.457 -6.143 1.00 11.21 H new ATOM 0 HB3 PHE A 45 -4.470 2.974 -6.664 1.00 11.21 H new ATOM 0 HD1 PHE A 45 -4.592 -0.595 -7.883 1.00 0.34 H new ATOM 0 HD2 PHE A 45 -6.806 2.906 -6.721 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -6.695 -1.688 -8.615 1.00 40.11 H new ATOM 0 HE2 PHE A 45 -8.923 1.770 -7.355 1.00 24.21 H new ATOM 0 HZ PHE A 45 -8.859 -0.491 -8.386 1.00 54.41 H new ATOM 736 N ALA A 46 -4.267 1.555 -10.350 1.00 14.31 N ATOM 737 CA ALA A 46 -4.889 1.828 -11.640 1.00 44.05 C ATOM 738 C ALA A 46 -4.107 2.915 -12.399 1.00 74.24 C ATOM 739 O ALA A 46 -4.696 3.813 -12.996 1.00 72.41 O ATOM 740 CB ALA A 46 -6.385 2.132 -11.457 1.00 51.53 C ATOM 0 H ALA A 46 -4.104 0.560 -10.194 1.00 14.31 H new ATOM 0 HA ALA A 46 -4.842 0.941 -12.272 1.00 44.05 H new ATOM 0 HB1 ALA A 46 -6.837 2.334 -12.428 1.00 51.53 H new ATOM 0 HB2 ALA A 46 -6.877 1.274 -10.999 1.00 51.53 H new ATOM 0 HB3 ALA A 46 -6.503 3.004 -10.814 1.00 51.53 H new ATOM 746 N GLY A 47 -2.773 2.898 -12.307 1.00 75.44 N ATOM 747 CA GLY A 47 -1.888 3.853 -12.966 1.00 62.33 C ATOM 748 C GLY A 47 -1.937 5.277 -12.401 1.00 50.54 C ATOM 749 O GLY A 47 -1.278 6.157 -12.955 1.00 42.24 O ATOM 0 H GLY A 47 -2.271 2.201 -11.758 1.00 75.44 H new ATOM 0 HA2 GLY A 47 -0.864 3.485 -12.896 1.00 62.33 H new ATOM 0 HA3 GLY A 47 -2.142 3.890 -14.025 1.00 62.33 H new ATOM 753 N LYS A 48 -2.678 5.531 -11.318 1.00 60.44 N ATOM 754 CA LYS A 48 -2.826 6.839 -10.683 1.00 3.11 C ATOM 755 C LYS A 48 -2.226 6.737 -9.283 1.00 25.44 C ATOM 756 O LYS A 48 -2.396 5.719 -8.605 1.00 3.12 O ATOM 757 CB LYS A 48 -4.323 7.200 -10.732 1.00 1.05 C ATOM 758 CG LYS A 48 -4.678 8.688 -10.614 1.00 1.13 C ATOM 759 CD LYS A 48 -4.867 9.201 -9.183 1.00 33.50 C ATOM 760 CE LYS A 48 -5.574 10.565 -9.173 1.00 65.13 C ATOM 761 NZ LYS A 48 -7.026 10.471 -9.439 1.00 61.24 N ATOM 0 H LYS A 48 -3.210 4.802 -10.844 1.00 60.44 H new ATOM 0 HA LYS A 48 -2.295 7.648 -11.184 1.00 3.11 H new ATOM 0 HB2 LYS A 48 -4.732 6.826 -11.670 1.00 1.05 H new ATOM 0 HB3 LYS A 48 -4.828 6.665 -9.928 1.00 1.05 H new ATOM 0 HG2 LYS A 48 -3.891 9.272 -11.091 1.00 1.13 H new ATOM 0 HG3 LYS A 48 -5.595 8.872 -11.173 1.00 1.13 H new ATOM 0 HD2 LYS A 48 -5.451 8.481 -8.610 1.00 33.50 H new ATOM 0 HD3 LYS A 48 -3.897 9.287 -8.693 1.00 33.50 H new ATOM 0 HE2 LYS A 48 -5.419 11.040 -8.204 1.00 65.13 H new ATOM 0 HE3 LYS A 48 -5.115 11.210 -9.922 1.00 65.13 H new ATOM 0 HZ1 LYS A 48 -7.459 11.411 -9.335 1.00 61.24 H new ATOM 0 HZ2 LYS A 48 -7.180 10.124 -10.407 1.00 61.24 H new ATOM 0 HZ3 LYS A 48 -7.461 9.813 -8.762 1.00 61.24 H new ATOM 775 N GLN A 49 -1.507 7.760 -8.830 1.00 1.05 N ATOM 776 CA GLN A 49 -0.882 7.725 -7.512 1.00 72.32 C ATOM 777 C GLN A 49 -1.951 7.874 -6.430 1.00 4.35 C ATOM 778 O GLN A 49 -2.860 8.688 -6.567 1.00 1.22 O ATOM 779 CB GLN A 49 0.174 8.834 -7.439 1.00 60.33 C ATOM 780 CG GLN A 49 0.922 8.823 -6.100 1.00 61.42 C ATOM 781 CD GLN A 49 2.080 9.814 -6.084 1.00 12.13 C ATOM 782 OE1 GLN A 49 2.941 9.793 -6.967 1.00 54.23 O ATOM 783 NE2 GLN A 49 2.171 10.669 -5.085 1.00 23.52 N ATOM 0 H GLN A 49 -1.343 8.620 -9.354 1.00 1.05 H new ATOM 0 HA GLN A 49 -0.385 6.769 -7.345 1.00 72.32 H new ATOM 0 HB2 GLN A 49 0.887 8.711 -8.254 1.00 60.33 H new ATOM 0 HB3 GLN A 49 -0.306 9.803 -7.579 1.00 60.33 H new ATOM 0 HG2 GLN A 49 0.228 9.064 -5.295 1.00 61.42 H new ATOM 0 HG3 GLN A 49 1.301 7.820 -5.905 1.00 61.42 H new ATOM 0 HE21 GLN A 49 1.456 10.682 -4.358 1.00 23.52 H new ATOM 0 HE22 GLN A 49 2.957 11.318 -5.039 1.00 23.52 H new ATOM 792 N LEU A 50 -1.854 7.082 -5.360 1.00 53.02 N ATOM 793 CA LEU A 50 -2.824 7.146 -4.268 1.00 50.24 C ATOM 794 C LEU A 50 -2.579 8.379 -3.401 1.00 3.52 C ATOM 795 O LEU A 50 -1.454 8.591 -2.938 1.00 24.04 O ATOM 796 CB LEU A 50 -2.737 5.872 -3.413 1.00 33.42 C ATOM 797 CG LEU A 50 -3.309 4.633 -4.125 1.00 61.12 C ATOM 798 CD1 LEU A 50 -2.969 3.364 -3.346 1.00 70.34 C ATOM 799 CD2 LEU A 50 -4.826 4.747 -4.306 1.00 1.43 C ATOM 0 H LEU A 50 -1.115 6.391 -5.228 1.00 53.02 H new ATOM 0 HA LEU A 50 -3.824 7.220 -4.696 1.00 50.24 H new ATOM 0 HB2 LEU A 50 -1.695 5.686 -3.152 1.00 33.42 H new ATOM 0 HB3 LEU A 50 -3.277 6.030 -2.479 1.00 33.42 H new ATOM 0 HG LEU A 50 -2.851 4.577 -5.113 1.00 61.12 H new ATOM 0 HD11 LEU A 50 -3.381 2.498 -3.864 1.00 70.34 H new ATOM 0 HD12 LEU A 50 -1.886 3.261 -3.272 1.00 70.34 H new ATOM 0 HD13 LEU A 50 -3.397 3.426 -2.345 1.00 70.34 H new ATOM 0 HD21 LEU A 50 -5.200 3.857 -4.812 1.00 1.43 H new ATOM 0 HD22 LEU A 50 -5.303 4.837 -3.330 1.00 1.43 H new ATOM 0 HD23 LEU A 50 -5.056 5.628 -4.905 1.00 1.43 H new ATOM 811 N GLU A 51 -3.613 9.200 -3.200 1.00 71.22 N ATOM 812 CA GLU A 51 -3.576 10.413 -2.384 1.00 65.21 C ATOM 813 C GLU A 51 -3.459 10.030 -0.903 1.00 73.10 C ATOM 814 O GLU A 51 -4.210 9.171 -0.426 1.00 4.00 O ATOM 815 CB GLU A 51 -4.850 11.249 -2.593 1.00 11.00 C ATOM 816 CG GLU A 51 -4.867 12.044 -3.909 1.00 51.42 C ATOM 817 CD GLU A 51 -5.164 11.229 -5.175 1.00 2.45 C ATOM 818 OE1 GLU A 51 -6.040 10.333 -5.134 1.00 74.44 O ATOM 819 OE2 GLU A 51 -4.585 11.573 -6.233 1.00 43.44 O ATOM 0 H GLU A 51 -4.529 9.031 -3.616 1.00 71.22 H new ATOM 0 HA GLU A 51 -2.713 11.007 -2.685 1.00 65.21 H new ATOM 0 HB2 GLU A 51 -5.715 10.586 -2.570 1.00 11.00 H new ATOM 0 HB3 GLU A 51 -4.958 11.943 -1.760 1.00 11.00 H new ATOM 0 HG2 GLU A 51 -5.613 12.835 -3.825 1.00 51.42 H new ATOM 0 HG3 GLU A 51 -3.899 12.530 -4.031 1.00 51.42 H new ATOM 826 N ASP A 52 -2.504 10.620 -0.185 1.00 32.21 N ATOM 827 CA ASP A 52 -2.281 10.371 1.237 1.00 1.42 C ATOM 828 C ASP A 52 -3.297 11.119 2.098 1.00 40.34 C ATOM 829 O ASP A 52 -3.787 12.188 1.724 1.00 44.44 O ATOM 830 CB ASP A 52 -0.854 10.697 1.683 1.00 33.44 C ATOM 831 CG ASP A 52 -0.633 12.183 1.955 1.00 13.13 C ATOM 832 OD1 ASP A 52 -0.712 12.991 1.012 1.00 55.11 O ATOM 833 OD2 ASP A 52 -0.341 12.541 3.125 1.00 70.14 O ATOM 0 H ASP A 52 -1.853 11.296 -0.583 1.00 32.21 H new ATOM 0 HA ASP A 52 -2.422 9.300 1.382 1.00 1.42 H new ATOM 0 HB2 ASP A 52 -0.624 10.131 2.586 1.00 33.44 H new ATOM 0 HB3 ASP A 52 -0.156 10.367 0.914 1.00 33.44 H new ATOM 838 N GLY A 53 -3.626 10.547 3.254 1.00 15.54 N ATOM 839 CA GLY A 53 -4.583 11.117 4.195 1.00 71.41 C ATOM 840 C GLY A 53 -5.997 10.592 3.977 1.00 2.21 C ATOM 841 O GLY A 53 -6.906 11.013 4.690 1.00 62.11 O ATOM 0 H GLY A 53 -3.228 9.661 3.567 1.00 15.54 H new ATOM 0 HA2 GLY A 53 -4.267 10.889 5.213 1.00 71.41 H new ATOM 0 HA3 GLY A 53 -4.582 12.203 4.097 1.00 71.41 H new ATOM 845 N ARG A 54 -6.205 9.686 3.014 1.00 34.32 N ATOM 846 CA ARG A 54 -7.509 9.100 2.715 1.00 40.54 C ATOM 847 C ARG A 54 -7.567 7.679 3.272 1.00 63.10 C ATOM 848 O ARG A 54 -6.540 7.115 3.677 1.00 43.11 O ATOM 849 CB ARG A 54 -7.786 9.149 1.201 1.00 31.04 C ATOM 850 CG ARG A 54 -7.717 10.545 0.572 1.00 12.10 C ATOM 851 CD ARG A 54 -8.530 11.616 1.301 1.00 54.13 C ATOM 852 NE ARG A 54 -9.993 11.464 1.183 1.00 4.33 N ATOM 853 CZ ARG A 54 -10.841 12.476 1.418 1.00 4.35 C ATOM 854 NH1 ARG A 54 -10.368 13.637 1.865 1.00 23.42 N ATOM 855 NH2 ARG A 54 -12.144 12.358 1.198 1.00 51.40 N ATOM 0 H ARG A 54 -5.458 9.337 2.414 1.00 34.32 H new ATOM 0 HA ARG A 54 -8.296 9.680 3.197 1.00 40.54 H new ATOM 0 HB2 ARG A 54 -7.068 8.504 0.695 1.00 31.04 H new ATOM 0 HB3 ARG A 54 -8.776 8.732 1.015 1.00 31.04 H new ATOM 0 HG2 ARG A 54 -6.675 10.861 0.536 1.00 12.10 H new ATOM 0 HG3 ARG A 54 -8.066 10.482 -0.459 1.00 12.10 H new ATOM 0 HD2 ARG A 54 -8.261 11.602 2.357 1.00 54.13 H new ATOM 0 HD3 ARG A 54 -8.247 12.595 0.913 1.00 54.13 H new ATOM 0 HE ARG A 54 -10.373 10.557 0.913 1.00 4.33 H new ATOM 0 HH11 ARG A 54 -9.367 13.752 2.026 1.00 23.42 H new ATOM 0 HH12 ARG A 54 -11.006 14.412 2.046 1.00 23.42 H new ATOM 0 HH21 ARG A 54 -12.524 11.481 0.841 1.00 51.40 H new ATOM 0 HH22 ARG A 54 -12.766 13.144 1.386 1.00 51.40 H new ATOM 869 N THR A 55 -8.775 7.157 3.414 1.00 61.45 N ATOM 870 CA THR A 55 -9.056 5.827 3.907 1.00 73.31 C ATOM 871 C THR A 55 -9.785 5.070 2.803 1.00 52.02 C ATOM 872 O THR A 55 -10.446 5.682 1.957 1.00 64.12 O ATOM 873 CB THR A 55 -9.808 5.936 5.255 1.00 31.31 C ATOM 874 OG1 THR A 55 -10.103 4.657 5.774 1.00 12.14 O ATOM 875 CG2 THR A 55 -11.116 6.734 5.213 1.00 1.24 C ATOM 0 H THR A 55 -9.621 7.676 3.177 1.00 61.45 H new ATOM 0 HA THR A 55 -8.158 5.252 4.133 1.00 73.31 H new ATOM 0 HB THR A 55 -9.115 6.484 5.893 1.00 31.31 H new ATOM 0 HG1 THR A 55 -10.577 4.751 6.627 1.00 12.14 H new ATOM 0 HG21 THR A 55 -11.564 6.750 6.206 1.00 1.24 H new ATOM 0 HG22 THR A 55 -10.909 7.755 4.891 1.00 1.24 H new ATOM 0 HG23 THR A 55 -11.806 6.265 4.511 1.00 1.24 H new ATOM 883 N LEU A 56 -9.788 3.737 2.879 1.00 64.33 N ATOM 884 CA LEU A 56 -10.432 2.847 1.930 1.00 22.42 C ATOM 885 C LEU A 56 -11.921 3.197 1.834 1.00 25.24 C ATOM 886 O LEU A 56 -12.517 3.007 0.773 1.00 40.43 O ATOM 887 CB LEU A 56 -10.277 1.398 2.446 1.00 42.13 C ATOM 888 CG LEU A 56 -8.853 0.804 2.480 1.00 22.45 C ATOM 889 CD1 LEU A 56 -8.977 -0.659 2.934 1.00 41.13 C ATOM 890 CD2 LEU A 56 -8.010 0.868 1.193 1.00 33.43 C ATOM 0 H LEU A 56 -9.322 3.236 3.635 1.00 64.33 H new ATOM 0 HA LEU A 56 -9.977 2.949 0.945 1.00 22.42 H new ATOM 0 HB2 LEU A 56 -10.684 1.355 3.456 1.00 42.13 H new ATOM 0 HB3 LEU A 56 -10.897 0.751 1.825 1.00 42.13 H new ATOM 0 HG LEU A 56 -8.297 1.444 3.165 1.00 22.45 H new ATOM 0 HD11 LEU A 56 -7.987 -1.114 2.970 1.00 41.13 H new ATOM 0 HD12 LEU A 56 -9.430 -0.695 3.925 1.00 41.13 H new ATOM 0 HD13 LEU A 56 -9.602 -1.207 2.229 1.00 41.13 H new ATOM 0 HD21 LEU A 56 -7.036 0.412 1.373 1.00 33.43 H new ATOM 0 HD22 LEU A 56 -8.522 0.329 0.396 1.00 33.43 H new ATOM 0 HD23 LEU A 56 -7.875 1.909 0.898 1.00 33.43 H new ATOM 902 N SER A 57 -12.535 3.673 2.920 1.00 65.23 N ATOM 903 CA SER A 57 -13.932 4.074 2.935 1.00 14.04 C ATOM 904 C SER A 57 -14.140 5.344 2.097 1.00 74.24 C ATOM 905 O SER A 57 -15.055 5.397 1.282 1.00 4.15 O ATOM 906 CB SER A 57 -14.361 4.281 4.399 1.00 72.24 C ATOM 907 OG SER A 57 -15.701 4.728 4.533 1.00 21.32 O ATOM 0 H SER A 57 -12.067 3.789 3.819 1.00 65.23 H new ATOM 0 HA SER A 57 -14.552 3.297 2.487 1.00 14.04 H new ATOM 0 HB2 SER A 57 -14.242 3.343 4.941 1.00 72.24 H new ATOM 0 HB3 SER A 57 -13.695 5.006 4.867 1.00 72.24 H new ATOM 0 HG SER A 57 -15.915 4.840 5.483 1.00 21.32 H new ATOM 913 N ASP A 58 -13.296 6.365 2.268 1.00 24.20 N ATOM 914 CA ASP A 58 -13.367 7.657 1.570 1.00 62.43 C ATOM 915 C ASP A 58 -13.034 7.514 0.088 1.00 33.31 C ATOM 916 O ASP A 58 -13.709 8.082 -0.776 1.00 60.13 O ATOM 917 CB ASP A 58 -12.444 8.681 2.256 1.00 41.32 C ATOM 918 CG ASP A 58 -13.113 9.385 3.447 1.00 42.42 C ATOM 919 OD1 ASP A 58 -13.995 8.777 4.095 1.00 11.41 O ATOM 920 OD2 ASP A 58 -12.708 10.535 3.747 1.00 70.34 O ATOM 0 H ASP A 58 -12.514 6.315 2.921 1.00 24.20 H new ATOM 0 HA ASP A 58 -14.393 8.021 1.631 1.00 62.43 H new ATOM 0 HB2 ASP A 58 -11.541 8.176 2.599 1.00 41.32 H new ATOM 0 HB3 ASP A 58 -12.133 9.429 1.526 1.00 41.32 H new ATOM 925 N TYR A 59 -12.072 6.653 -0.227 1.00 33.21 N ATOM 926 CA TYR A 59 -11.648 6.398 -1.597 1.00 41.35 C ATOM 927 C TYR A 59 -12.568 5.335 -2.214 1.00 1.32 C ATOM 928 O TYR A 59 -12.427 5.014 -3.391 1.00 4.24 O ATOM 929 CB TYR A 59 -10.199 5.881 -1.541 1.00 0.13 C ATOM 930 CG TYR A 59 -9.364 6.070 -2.796 1.00 12.35 C ATOM 931 CD1 TYR A 59 -9.380 5.119 -3.837 1.00 22.12 C ATOM 932 CD2 TYR A 59 -8.531 7.200 -2.898 1.00 25.12 C ATOM 933 CE1 TYR A 59 -8.595 5.309 -4.991 1.00 13.34 C ATOM 934 CE2 TYR A 59 -7.730 7.387 -4.036 1.00 11.55 C ATOM 935 CZ TYR A 59 -7.774 6.455 -5.093 1.00 62.13 C ATOM 936 OH TYR A 59 -7.041 6.705 -6.213 1.00 52.42 O ATOM 0 H TYR A 59 -11.561 6.109 0.468 1.00 33.21 H new ATOM 0 HA TYR A 59 -11.702 7.301 -2.205 1.00 41.35 H new ATOM 0 HB2 TYR A 59 -9.691 6.378 -0.715 1.00 0.13 H new ATOM 0 HB3 TYR A 59 -10.225 4.817 -1.305 1.00 0.13 H new ATOM 0 HD1 TYR A 59 -9.999 4.238 -3.749 1.00 22.12 H new ATOM 0 HD2 TYR A 59 -8.508 7.926 -2.098 1.00 25.12 H new ATOM 0 HE1 TYR A 59 -8.620 4.585 -5.792 1.00 13.34 H new ATOM 0 HE2 TYR A 59 -7.079 8.246 -4.102 1.00 11.55 H new ATOM 0 HH TYR A 59 -6.541 7.540 -6.097 1.00 52.42 H new ATOM 946 N ASN A 60 -13.536 4.822 -1.431 1.00 54.32 N ATOM 947 CA ASN A 60 -14.503 3.790 -1.795 1.00 50.32 C ATOM 948 C ASN A 60 -13.744 2.679 -2.520 1.00 44.43 C ATOM 949 O ASN A 60 -14.182 2.220 -3.577 1.00 22.52 O ATOM 950 CB ASN A 60 -15.670 4.359 -2.625 1.00 60.42 C ATOM 951 CG ASN A 60 -16.632 5.233 -1.831 1.00 65.44 C ATOM 952 OD1 ASN A 60 -17.721 4.806 -1.452 1.00 25.52 O ATOM 953 ND2 ASN A 60 -16.303 6.492 -1.622 1.00 33.32 N ATOM 0 H ASN A 60 -13.664 5.142 -0.471 1.00 54.32 H new ATOM 0 HA ASN A 60 -14.973 3.381 -0.901 1.00 50.32 H new ATOM 0 HB2 ASN A 60 -15.263 4.943 -3.451 1.00 60.42 H new ATOM 0 HB3 ASN A 60 -16.227 3.531 -3.064 1.00 60.42 H new ATOM 0 HD21 ASN A 60 -16.953 7.116 -1.144 1.00 33.32 H new ATOM 0 HD22 ASN A 60 -15.399 6.842 -1.938 1.00 33.32 H new ATOM 960 N ILE A 61 -12.594 2.249 -1.967 1.00 64.35 N ATOM 961 CA ILE A 61 -11.814 1.219 -2.642 1.00 65.30 C ATOM 962 C ILE A 61 -12.624 -0.061 -2.884 1.00 41.12 C ATOM 963 O ILE A 61 -13.546 -0.383 -2.119 1.00 31.13 O ATOM 964 CB ILE A 61 -10.528 0.939 -1.833 1.00 54.10 C ATOM 965 CG1 ILE A 61 -9.390 0.299 -2.653 1.00 30.22 C ATOM 966 CG2 ILE A 61 -10.893 0.032 -0.649 1.00 44.35 C ATOM 967 CD1 ILE A 61 -8.843 1.207 -3.759 1.00 12.04 C ATOM 0 H ILE A 61 -12.203 2.589 -1.088 1.00 64.35 H new ATOM 0 HA ILE A 61 -11.539 1.587 -3.630 1.00 65.30 H new ATOM 0 HB ILE A 61 -10.140 1.902 -1.501 1.00 54.10 H new ATOM 0 HG12 ILE A 61 -8.576 0.030 -1.980 1.00 30.22 H new ATOM 0 HG13 ILE A 61 -9.752 -0.626 -3.101 1.00 30.22 H new ATOM 0 HG21 ILE A 61 -9.998 -0.179 -0.063 1.00 44.35 H new ATOM 0 HG22 ILE A 61 -11.629 0.533 -0.020 1.00 44.35 H new ATOM 0 HG23 ILE A 61 -11.311 -0.903 -1.022 1.00 44.35 H new ATOM 0 HD11 ILE A 61 -8.046 0.690 -4.293 1.00 12.04 H new ATOM 0 HD12 ILE A 61 -9.644 1.456 -4.455 1.00 12.04 H new ATOM 0 HD13 ILE A 61 -8.449 2.122 -3.317 1.00 12.04 H new ATOM 979 N GLN A 62 -12.237 -0.784 -3.931 1.00 12.22 N ATOM 980 CA GLN A 62 -12.813 -2.053 -4.339 1.00 64.20 C ATOM 981 C GLN A 62 -12.071 -3.153 -3.564 1.00 41.42 C ATOM 982 O GLN A 62 -11.049 -2.878 -2.931 1.00 73.43 O ATOM 983 CB GLN A 62 -12.608 -2.264 -5.854 1.00 4.01 C ATOM 984 CG GLN A 62 -12.817 -1.016 -6.737 1.00 13.21 C ATOM 985 CD GLN A 62 -11.528 -0.260 -7.059 1.00 50.51 C ATOM 986 OE1 GLN A 62 -10.626 -0.163 -6.232 1.00 50.43 O ATOM 987 NE2 GLN A 62 -11.415 0.267 -8.269 1.00 53.05 N ATOM 0 H GLN A 62 -11.478 -0.484 -4.543 1.00 12.22 H new ATOM 0 HA GLN A 62 -13.883 -2.076 -4.132 1.00 64.20 H new ATOM 0 HB2 GLN A 62 -11.597 -2.637 -6.017 1.00 4.01 H new ATOM 0 HB3 GLN A 62 -13.293 -3.043 -6.190 1.00 4.01 H new ATOM 0 HG2 GLN A 62 -13.291 -1.319 -7.670 1.00 13.21 H new ATOM 0 HG3 GLN A 62 -13.507 -0.339 -6.234 1.00 13.21 H new ATOM 0 HE21 GLN A 62 -12.178 0.173 -8.939 1.00 53.05 H new ATOM 0 HE22 GLN A 62 -10.565 0.766 -8.530 1.00 53.05 H new ATOM 996 N LYS A 63 -12.553 -4.396 -3.601 1.00 43.14 N ATOM 997 CA LYS A 63 -11.904 -5.528 -2.926 1.00 21.02 C ATOM 998 C LYS A 63 -11.161 -6.358 -3.974 1.00 54.51 C ATOM 999 O LYS A 63 -11.540 -6.271 -5.148 1.00 63.32 O ATOM 1000 CB LYS A 63 -12.936 -6.354 -2.154 1.00 2.22 C ATOM 1001 CG LYS A 63 -13.957 -7.054 -3.056 1.00 22.12 C ATOM 1002 CD LYS A 63 -14.962 -7.807 -2.191 1.00 11.41 C ATOM 1003 CE LYS A 63 -15.963 -8.497 -3.115 1.00 42.44 C ATOM 1004 NZ LYS A 63 -17.002 -9.201 -2.344 1.00 65.44 N ATOM 0 H LYS A 63 -13.406 -4.650 -4.100 1.00 43.14 H new ATOM 0 HA LYS A 63 -11.182 -5.171 -2.192 1.00 21.02 H new ATOM 0 HB2 LYS A 63 -12.417 -7.103 -1.557 1.00 2.22 H new ATOM 0 HB3 LYS A 63 -13.464 -5.702 -1.458 1.00 2.22 H new ATOM 0 HG2 LYS A 63 -14.472 -6.322 -3.678 1.00 22.12 H new ATOM 0 HG3 LYS A 63 -13.450 -7.745 -3.730 1.00 22.12 H new ATOM 0 HD2 LYS A 63 -14.452 -8.541 -1.567 1.00 11.41 H new ATOM 0 HD3 LYS A 63 -15.476 -7.119 -1.519 1.00 11.41 H new ATOM 0 HE2 LYS A 63 -16.428 -7.758 -3.768 1.00 42.44 H new ATOM 0 HE3 LYS A 63 -15.440 -9.206 -3.757 1.00 42.44 H new ATOM 0 HZ1 LYS A 63 -17.668 -9.660 -2.998 1.00 65.44 H new ATOM 0 HZ2 LYS A 63 -16.558 -9.921 -1.740 1.00 65.44 H new ATOM 0 HZ3 LYS A 63 -17.515 -8.519 -1.750 1.00 65.44 H new ATOM 1018 N GLU A 64 -10.210 -7.222 -3.592 1.00 10.30 N ATOM 1019 CA GLU A 64 -9.449 -8.048 -4.532 1.00 1.11 C ATOM 1020 C GLU A 64 -8.633 -7.159 -5.493 1.00 10.11 C ATOM 1021 O GLU A 64 -8.171 -7.624 -6.533 1.00 45.13 O ATOM 1022 CB GLU A 64 -10.404 -9.006 -5.294 1.00 61.00 C ATOM 1023 CG GLU A 64 -9.795 -10.382 -5.610 1.00 0.11 C ATOM 1024 CD GLU A 64 -9.901 -11.396 -4.462 1.00 12.43 C ATOM 1025 OE1 GLU A 64 -10.147 -10.984 -3.309 1.00 33.40 O ATOM 1026 OE2 GLU A 64 -9.746 -12.615 -4.742 1.00 73.11 O ATOM 0 H GLU A 64 -9.948 -7.366 -2.617 1.00 10.30 H new ATOM 0 HA GLU A 64 -8.738 -8.662 -3.978 1.00 1.11 H new ATOM 0 HB2 GLU A 64 -11.307 -9.148 -4.701 1.00 61.00 H new ATOM 0 HB3 GLU A 64 -10.707 -8.532 -6.228 1.00 61.00 H new ATOM 0 HG2 GLU A 64 -10.291 -10.793 -6.490 1.00 0.11 H new ATOM 0 HG3 GLU A 64 -8.744 -10.251 -5.868 1.00 0.11 H new ATOM 1033 N SER A 65 -8.458 -5.877 -5.160 1.00 43.12 N ATOM 1034 CA SER A 65 -7.716 -4.898 -5.926 1.00 24.32 C ATOM 1035 C SER A 65 -6.229 -5.181 -5.732 1.00 74.15 C ATOM 1036 O SER A 65 -5.820 -5.734 -4.706 1.00 24.31 O ATOM 1037 CB SER A 65 -8.071 -3.482 -5.431 1.00 55.12 C ATOM 1038 OG SER A 65 -8.526 -2.673 -6.499 1.00 64.33 O ATOM 0 H SER A 65 -8.853 -5.485 -4.305 1.00 43.12 H new ATOM 0 HA SER A 65 -7.967 -4.960 -6.985 1.00 24.32 H new ATOM 0 HB2 SER A 65 -8.841 -3.544 -4.662 1.00 55.12 H new ATOM 0 HB3 SER A 65 -7.196 -3.024 -4.969 1.00 55.12 H new ATOM 0 HG SER A 65 -7.801 -2.083 -6.795 1.00 64.33 H new ATOM 1044 N THR A 66 -5.432 -4.813 -6.729 1.00 24.11 N ATOM 1045 CA THR A 66 -3.995 -4.988 -6.707 1.00 14.23 C ATOM 1046 C THR A 66 -3.374 -3.644 -6.303 1.00 71.13 C ATOM 1047 O THR A 66 -3.892 -2.588 -6.662 1.00 53.42 O ATOM 1048 CB THR A 66 -3.527 -5.563 -8.054 1.00 3.11 C ATOM 1049 OG1 THR A 66 -2.223 -6.089 -7.937 1.00 23.11 O ATOM 1050 CG2 THR A 66 -3.553 -4.574 -9.224 1.00 71.21 C ATOM 0 H THR A 66 -5.777 -4.379 -7.585 1.00 24.11 H new ATOM 0 HA THR A 66 -3.662 -5.719 -5.970 1.00 14.23 H new ATOM 0 HB THR A 66 -4.253 -6.341 -8.289 1.00 3.11 H new ATOM 0 HG1 THR A 66 -1.596 -5.521 -8.431 1.00 23.11 H new ATOM 0 HG21 THR A 66 -3.206 -5.072 -10.129 1.00 71.21 H new ATOM 0 HG22 THR A 66 -4.571 -4.215 -9.375 1.00 71.21 H new ATOM 0 HG23 THR A 66 -2.900 -3.730 -9.001 1.00 71.21 H new ATOM 1058 N LEU A 67 -2.270 -3.663 -5.558 1.00 40.35 N ATOM 1059 CA LEU A 67 -1.561 -2.471 -5.106 1.00 74.13 C ATOM 1060 C LEU A 67 -0.138 -2.594 -5.638 1.00 71.11 C ATOM 1061 O LEU A 67 0.495 -3.631 -5.432 1.00 2.43 O ATOM 1062 CB LEU A 67 -1.586 -2.399 -3.565 1.00 43.23 C ATOM 1063 CG LEU A 67 -2.956 -2.086 -2.931 1.00 14.45 C ATOM 1064 CD1 LEU A 67 -2.890 -2.206 -1.401 1.00 34.12 C ATOM 1065 CD2 LEU A 67 -3.420 -0.662 -3.224 1.00 34.34 C ATOM 0 H LEU A 67 -1.834 -4.531 -5.245 1.00 40.35 H new ATOM 0 HA LEU A 67 -2.025 -1.555 -5.472 1.00 74.13 H new ATOM 0 HB2 LEU A 67 -1.233 -3.351 -3.170 1.00 43.23 H new ATOM 0 HB3 LEU A 67 -0.875 -1.637 -3.244 1.00 43.23 H new ATOM 0 HG LEU A 67 -3.649 -2.806 -3.365 1.00 14.45 H new ATOM 0 HD11 LEU A 67 -3.868 -1.981 -0.976 1.00 34.12 H new ATOM 0 HD12 LEU A 67 -2.601 -3.221 -1.128 1.00 34.12 H new ATOM 0 HD13 LEU A 67 -2.154 -1.502 -1.012 1.00 34.12 H new ATOM 0 HD21 LEU A 67 -4.389 -0.492 -2.756 1.00 34.34 H new ATOM 0 HD22 LEU A 67 -2.694 0.047 -2.824 1.00 34.34 H new ATOM 0 HD23 LEU A 67 -3.508 -0.522 -4.301 1.00 34.34 H new ATOM 1077 N HIS A 68 0.372 -1.568 -6.326 1.00 73.21 N ATOM 1078 CA HIS A 68 1.717 -1.555 -6.896 1.00 34.23 C ATOM 1079 C HIS A 68 2.626 -0.775 -5.954 1.00 24.25 C ATOM 1080 O HIS A 68 2.581 0.460 -5.927 1.00 3.21 O ATOM 1081 CB HIS A 68 1.735 -0.922 -8.298 1.00 34.40 C ATOM 1082 CG HIS A 68 1.183 -1.765 -9.421 1.00 22.23 C ATOM 1083 ND1 HIS A 68 1.594 -1.690 -10.735 1.00 73.31 N ATOM 1084 CD2 HIS A 68 0.190 -2.707 -9.349 1.00 64.43 C ATOM 1085 CE1 HIS A 68 0.879 -2.581 -11.438 1.00 21.22 C ATOM 1086 NE2 HIS A 68 0.005 -3.216 -10.638 1.00 12.42 N ATOM 0 H HIS A 68 -0.150 -0.710 -6.504 1.00 73.21 H new ATOM 0 HA HIS A 68 2.068 -2.581 -7.005 1.00 34.23 H new ATOM 0 HB2 HIS A 68 1.170 0.009 -8.260 1.00 34.40 H new ATOM 0 HB3 HIS A 68 2.765 -0.660 -8.542 1.00 34.40 H new ATOM 0 HD2 HIS A 68 -0.350 -3.002 -8.461 1.00 64.43 H new ATOM 0 HE1 HIS A 68 0.990 -2.763 -12.497 1.00 21.22 H new ATOM 0 HE2 HIS A 68 -0.665 -3.932 -10.918 1.00 12.42 H new ATOM 1094 N LEU A 69 3.453 -1.481 -5.183 1.00 73.43 N ATOM 1095 CA LEU A 69 4.398 -0.915 -4.223 1.00 23.43 C ATOM 1096 C LEU A 69 5.794 -0.887 -4.851 1.00 33.41 C ATOM 1097 O LEU A 69 6.149 -1.783 -5.616 1.00 63.11 O ATOM 1098 CB LEU A 69 4.362 -1.744 -2.923 1.00 12.04 C ATOM 1099 CG LEU A 69 4.574 -0.919 -1.633 1.00 53.30 C ATOM 1100 CD1 LEU A 69 4.123 -1.747 -0.424 1.00 73.25 C ATOM 1101 CD2 LEU A 69 6.010 -0.443 -1.396 1.00 44.12 C ATOM 0 H LEU A 69 3.484 -2.500 -5.212 1.00 73.43 H new ATOM 0 HA LEU A 69 4.125 0.109 -3.970 1.00 23.43 H new ATOM 0 HB2 LEU A 69 3.401 -2.255 -2.859 1.00 12.04 H new ATOM 0 HB3 LEU A 69 5.130 -2.515 -2.977 1.00 12.04 H new ATOM 0 HG LEU A 69 3.975 -0.017 -1.762 1.00 53.30 H new ATOM 0 HD11 LEU A 69 4.271 -1.169 0.488 1.00 73.25 H new ATOM 0 HD12 LEU A 69 3.067 -1.997 -0.528 1.00 73.25 H new ATOM 0 HD13 LEU A 69 4.710 -2.664 -0.372 1.00 73.25 H new ATOM 0 HD21 LEU A 69 6.056 0.126 -0.468 1.00 44.12 H new ATOM 0 HD22 LEU A 69 6.672 -1.306 -1.326 1.00 44.12 H new ATOM 0 HD23 LEU A 69 6.325 0.190 -2.226 1.00 44.12 H new ATOM 1113 N VAL A 70 6.562 0.169 -4.607 1.00 11.35 N ATOM 1114 CA VAL A 70 7.923 0.329 -5.113 1.00 33.01 C ATOM 1115 C VAL A 70 8.846 0.648 -3.939 1.00 41.20 C ATOM 1116 O VAL A 70 8.526 1.494 -3.100 1.00 55.20 O ATOM 1117 CB VAL A 70 7.982 1.377 -6.245 1.00 64.43 C ATOM 1118 CG1 VAL A 70 7.376 2.728 -5.854 1.00 72.23 C ATOM 1119 CG2 VAL A 70 9.418 1.604 -6.745 1.00 72.12 C ATOM 0 H VAL A 70 6.250 0.956 -4.039 1.00 11.35 H new ATOM 0 HA VAL A 70 8.268 -0.599 -5.569 1.00 33.01 H new ATOM 0 HB VAL A 70 7.378 0.953 -7.047 1.00 64.43 H new ATOM 0 HG11 VAL A 70 7.450 3.417 -6.695 1.00 72.23 H new ATOM 0 HG12 VAL A 70 6.328 2.593 -5.587 1.00 72.23 H new ATOM 0 HG13 VAL A 70 7.918 3.137 -5.001 1.00 72.23 H new ATOM 0 HG21 VAL A 70 9.413 2.349 -7.541 1.00 72.12 H new ATOM 0 HG22 VAL A 70 10.038 1.958 -5.921 1.00 72.12 H new ATOM 0 HG23 VAL A 70 9.822 0.667 -7.128 1.00 72.12 H new ATOM 1129 N LEU A 71 10.007 -0.005 -3.916 1.00 2.41 N ATOM 1130 CA LEU A 71 11.062 0.125 -2.920 1.00 73.43 C ATOM 1131 C LEU A 71 12.320 0.602 -3.653 1.00 43.44 C ATOM 1132 O LEU A 71 12.567 0.161 -4.781 1.00 71.20 O ATOM 1133 CB LEU A 71 11.289 -1.263 -2.291 1.00 52.44 C ATOM 1134 CG LEU A 71 11.932 -1.239 -0.897 1.00 4.24 C ATOM 1135 CD1 LEU A 71 10.869 -0.918 0.161 1.00 21.33 C ATOM 1136 CD2 LEU A 71 12.565 -2.594 -0.585 1.00 10.02 C ATOM 0 H LEU A 71 10.248 -0.682 -4.640 1.00 2.41 H new ATOM 0 HA LEU A 71 10.807 0.834 -2.132 1.00 73.43 H new ATOM 0 HB2 LEU A 71 10.331 -1.778 -2.225 1.00 52.44 H new ATOM 0 HB3 LEU A 71 11.921 -1.850 -2.958 1.00 52.44 H new ATOM 0 HG LEU A 71 12.705 -0.471 -0.882 1.00 4.24 H new ATOM 0 HD11 LEU A 71 11.331 -0.902 1.148 1.00 21.33 H new ATOM 0 HD12 LEU A 71 10.429 0.057 -0.049 1.00 21.33 H new ATOM 0 HD13 LEU A 71 10.090 -1.680 0.137 1.00 21.33 H new ATOM 0 HD21 LEU A 71 13.018 -2.565 0.406 1.00 10.02 H new ATOM 0 HD22 LEU A 71 11.798 -3.368 -0.611 1.00 10.02 H new ATOM 0 HD23 LEU A 71 13.331 -2.817 -1.327 1.00 10.02 H new ATOM 1148 N ARG A 72 13.103 1.505 -3.055 1.00 53.51 N ATOM 1149 CA ARG A 72 14.349 2.066 -3.609 1.00 12.43 C ATOM 1150 C ARG A 72 15.568 1.745 -2.738 1.00 42.52 C ATOM 1151 O ARG A 72 16.692 1.989 -3.178 1.00 63.12 O ATOM 1152 CB ARG A 72 14.227 3.594 -3.804 1.00 33.11 C ATOM 1153 CG ARG A 72 13.166 4.090 -4.806 1.00 13.54 C ATOM 1154 CD ARG A 72 13.455 3.728 -6.271 1.00 51.24 C ATOM 1155 NE ARG A 72 13.169 2.315 -6.544 1.00 4.25 N ATOM 1156 CZ ARG A 72 13.202 1.676 -7.714 1.00 13.12 C ATOM 1157 NH1 ARG A 72 13.476 2.330 -8.840 1.00 33.44 N ATOM 1158 NH2 ARG A 72 12.933 0.377 -7.714 1.00 50.41 N ATOM 0 H ARG A 72 12.881 1.883 -2.134 1.00 53.51 H new ATOM 0 HA ARG A 72 14.501 1.593 -4.579 1.00 12.43 H new ATOM 0 HB2 ARG A 72 14.013 4.043 -2.834 1.00 33.11 H new ATOM 0 HB3 ARG A 72 15.198 3.973 -4.123 1.00 33.11 H new ATOM 0 HG2 ARG A 72 12.198 3.674 -4.526 1.00 13.54 H new ATOM 0 HG3 ARG A 72 13.084 5.174 -4.722 1.00 13.54 H new ATOM 0 HD2 ARG A 72 12.852 4.355 -6.927 1.00 51.24 H new ATOM 0 HD3 ARG A 72 14.500 3.939 -6.499 1.00 51.24 H new ATOM 0 HE ARG A 72 12.912 1.749 -5.735 1.00 4.25 H new ATOM 0 HH11 ARG A 72 13.664 3.332 -8.815 1.00 33.44 H new ATOM 0 HH12 ARG A 72 13.498 1.829 -9.728 1.00 33.44 H new ATOM 0 HH21 ARG A 72 12.711 -0.098 -6.839 1.00 50.41 H new ATOM 0 HH22 ARG A 72 12.948 -0.147 -8.589 1.00 50.41 H new ATOM 1172 N LEU A 73 15.331 1.232 -1.524 1.00 31.13 N ATOM 1173 CA LEU A 73 16.264 0.816 -0.476 1.00 63.04 C ATOM 1174 C LEU A 73 17.613 1.546 -0.536 1.00 62.21 C ATOM 1175 O LEU A 73 18.676 0.932 -0.575 1.00 75.32 O ATOM 1176 CB LEU A 73 16.386 -0.726 -0.473 1.00 43.43 C ATOM 1177 CG LEU A 73 16.425 -1.325 0.947 1.00 70.24 C ATOM 1178 CD1 LEU A 73 16.498 -2.850 0.849 1.00 3.13 C ATOM 1179 CD2 LEU A 73 17.574 -0.831 1.835 1.00 24.31 C ATOM 0 H LEU A 73 14.369 1.083 -1.221 1.00 31.13 H new ATOM 0 HA LEU A 73 15.854 1.119 0.488 1.00 63.04 H new ATOM 0 HB2 LEU A 73 15.544 -1.153 -1.018 1.00 43.43 H new ATOM 0 HB3 LEU A 73 17.291 -1.014 -1.008 1.00 43.43 H new ATOM 0 HG LEU A 73 15.509 -0.985 1.429 1.00 70.24 H new ATOM 0 HD11 LEU A 73 16.526 -3.278 1.851 1.00 3.13 H new ATOM 0 HD12 LEU A 73 15.621 -3.223 0.319 1.00 3.13 H new ATOM 0 HD13 LEU A 73 17.399 -3.137 0.307 1.00 3.13 H new ATOM 0 HD21 LEU A 73 17.512 -1.312 2.811 1.00 24.31 H new ATOM 0 HD22 LEU A 73 18.527 -1.079 1.368 1.00 24.31 H new ATOM 0 HD23 LEU A 73 17.501 0.250 1.957 1.00 24.31 H new ATOM 1191 N ARG A 74 17.591 2.882 -0.509 1.00 33.32 N ATOM 1192 CA ARG A 74 18.814 3.691 -0.566 1.00 12.40 C ATOM 1193 C ARG A 74 19.691 3.572 0.684 1.00 24.35 C ATOM 1194 O ARG A 74 20.803 4.108 0.705 1.00 51.34 O ATOM 1195 CB ARG A 74 18.467 5.158 -0.876 1.00 14.13 C ATOM 1196 CG ARG A 74 17.663 5.861 0.226 1.00 33.01 C ATOM 1197 CD ARG A 74 18.530 6.573 1.267 1.00 10.15 C ATOM 1198 NE ARG A 74 17.715 6.967 2.419 1.00 34.21 N ATOM 1199 CZ ARG A 74 18.083 6.933 3.703 1.00 34.44 C ATOM 1200 NH1 ARG A 74 19.309 6.589 4.083 1.00 72.23 N ATOM 1201 NH2 ARG A 74 17.188 7.267 4.616 1.00 70.21 N ATOM 0 H ARG A 74 16.733 3.430 -0.448 1.00 33.32 H new ATOM 0 HA ARG A 74 19.419 3.288 -1.379 1.00 12.40 H new ATOM 0 HB2 ARG A 74 19.391 5.710 -1.044 1.00 14.13 H new ATOM 0 HB3 ARG A 74 17.899 5.197 -1.805 1.00 14.13 H new ATOM 0 HG2 ARG A 74 16.994 6.588 -0.234 1.00 33.01 H new ATOM 0 HG3 ARG A 74 17.037 5.126 0.731 1.00 33.01 H new ATOM 0 HD2 ARG A 74 19.337 5.915 1.591 1.00 10.15 H new ATOM 0 HD3 ARG A 74 18.995 7.453 0.823 1.00 10.15 H new ATOM 0 HE ARG A 74 16.772 7.301 2.221 1.00 34.21 H new ATOM 0 HH11 ARG A 74 20.008 6.339 3.384 1.00 72.23 H new ATOM 0 HH12 ARG A 74 19.551 6.575 5.074 1.00 72.23 H new ATOM 0 HH21 ARG A 74 16.247 7.541 4.332 1.00 70.21 H new ATOM 0 HH22 ARG A 74 17.438 7.251 5.605 1.00 70.21 H new ATOM 1215 N GLY A 75 19.193 2.906 1.722 1.00 4.34 N ATOM 1216 CA GLY A 75 19.831 2.687 3.004 1.00 1.33 C ATOM 1217 C GLY A 75 18.921 3.237 4.099 1.00 1.11 C ATOM 1218 O GLY A 75 17.753 3.544 3.839 1.00 42.00 O ATOM 0 H GLY A 75 18.268 2.478 1.680 1.00 4.34 H new ATOM 0 HA2 GLY A 75 20.011 1.623 3.160 1.00 1.33 H new ATOM 0 HA3 GLY A 75 20.801 3.183 3.034 1.00 1.33 H new ATOM 1222 N GLY A 76 19.458 3.360 5.310 1.00 45.53 N ATOM 1223 CA GLY A 76 18.786 3.849 6.498 1.00 25.11 C ATOM 1224 C GLY A 76 19.793 3.807 7.627 1.00 23.02 C ATOM 1225 O GLY A 76 19.410 3.485 8.771 1.00 73.32 O ATOM 0 H GLY A 76 20.429 3.105 5.493 1.00 45.53 H new ATOM 0 HA2 GLY A 76 18.422 4.865 6.344 1.00 25.11 H new ATOM 0 HA3 GLY A 76 17.919 3.231 6.732 1.00 25.11 H new TER 1229 GLY A 76