USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 140:sc= -0.128 (180deg=-1.43) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.02 (180deg=0.492) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 84:sc= 0.02 USER MOD Single : A 9 THR OG1 : rot -130:sc= -0.122 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 105:sc= 0.039 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.386 USER MOD Single : A 25 ASN : amide:sc= -0.0992 X(o=-0.099,f=0.17) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 40 GLN : amide:sc= -1.12 X(o=-1.1,f=-1) USER MOD Single : A 41 GLN : amide:sc= -0.667 K(o=-0.67,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.0786 (180deg=-0.596) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 66:sc= -0.179 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.73) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0109 (180deg=-0.256) USER MOD Single : A 68 HIS : no HD1:sc= 0.108 K(o=0.11,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.956 24.277 2.712 1.00 0.00 N ATOM 2 CA MET A 1 25.112 25.462 3.038 1.00 0.00 C ATOM 3 C MET A 1 26.004 26.600 3.535 1.00 0.00 C ATOM 4 O MET A 1 27.074 26.377 4.066 1.00 0.00 O ATOM 5 CB MET A 1 24.106 25.091 4.127 1.00 0.00 C ATOM 6 CG MET A 1 23.120 24.056 3.581 1.00 0.00 C ATOM 7 SD MET A 1 22.034 23.492 4.915 1.00 0.00 S ATOM 8 CE MET A 1 20.800 22.674 3.874 1.00 0.00 C ATOM 0 H1 MET A 1 25.389 23.580 2.188 1.00 0.00 H new ATOM 0 H2 MET A 1 26.763 24.576 2.128 1.00 0.00 H new ATOM 0 H3 MET A 1 26.306 23.847 3.592 1.00 0.00 H new ATOM 0 HA MET A 1 24.576 25.782 2.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.627 24.689 4.996 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.570 25.980 4.459 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.528 24.492 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.662 23.211 3.157 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.020 22.246 4.503 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.359 23.402 3.193 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.278 21.881 3.298 1.00 0.00 H new ATOM 20 N GLN A 2 25.570 27.822 3.359 1.00 0.00 N ATOM 21 CA GLN A 2 26.383 28.996 3.810 1.00 0.00 C ATOM 22 C GLN A 2 25.778 29.589 5.085 1.00 0.00 C ATOM 23 O GLN A 2 24.580 29.571 5.285 1.00 0.00 O ATOM 24 CB GLN A 2 26.375 30.062 2.712 1.00 0.00 C ATOM 25 CG GLN A 2 24.938 30.313 2.253 1.00 0.00 C ATOM 26 CD GLN A 2 24.919 31.454 1.233 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.509 32.554 1.543 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.349 31.235 0.021 1.00 0.00 N ATOM 0 H GLN A 2 24.681 28.060 2.919 1.00 0.00 H new ATOM 0 HA GLN A 2 27.404 28.671 4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.815 30.987 3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.985 29.736 1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 2 24.523 29.408 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.311 30.565 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.693 30.311 -0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.341 31.988 -0.667 1.00 0.00 H new ATOM 37 N ILE A 3 26.605 30.127 5.942 1.00 0.00 N ATOM 38 CA ILE A 3 26.100 30.745 7.206 1.00 0.00 C ATOM 39 C ILE A 3 26.980 31.951 7.538 1.00 0.00 C ATOM 40 O ILE A 3 28.038 32.122 6.964 1.00 0.00 O ATOM 41 CB ILE A 3 26.167 29.725 8.348 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.574 29.124 8.426 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.153 28.609 8.096 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.693 28.270 9.690 1.00 0.00 C ATOM 0 H ILE A 3 27.617 30.166 5.820 1.00 0.00 H new ATOM 0 HA ILE A 3 25.064 31.059 7.080 1.00 0.00 H new ATOM 0 HB ILE A 3 25.936 30.225 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.771 28.516 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.320 29.918 8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.201 27.884 8.908 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.150 29.033 8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.384 28.113 7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.694 27.842 9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.514 28.892 10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.956 27.467 9.658 1.00 0.00 H new ATOM 56 N PHE A 4 26.557 32.792 8.452 1.00 0.00 N ATOM 57 CA PHE A 4 27.379 33.996 8.810 1.00 0.00 C ATOM 58 C PHE A 4 27.598 34.036 10.319 1.00 0.00 C ATOM 59 O PHE A 4 26.731 33.690 11.089 1.00 0.00 O ATOM 60 CB PHE A 4 26.638 35.261 8.376 1.00 0.00 C ATOM 61 CG PHE A 4 26.403 35.227 6.885 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.302 34.536 6.365 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.289 35.882 6.022 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.082 34.507 4.983 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.069 35.855 4.640 1.00 0.00 C ATOM 66 CZ PHE A 4 25.969 35.163 4.119 1.00 0.00 C ATOM 0 H PHE A 4 25.681 32.699 8.965 1.00 0.00 H new ATOM 0 HA PHE A 4 28.343 33.940 8.304 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.686 35.335 8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.219 36.144 8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.622 34.025 7.031 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.143 36.408 6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.229 33.979 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.748 36.368 3.975 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.804 35.135 3.052 1.00 0.00 H new ATOM 76 N VAL A 5 28.758 34.457 10.748 1.00 0.00 N ATOM 77 CA VAL A 5 29.047 34.535 12.214 1.00 0.00 C ATOM 78 C VAL A 5 29.245 35.998 12.600 1.00 0.00 C ATOM 79 O VAL A 5 30.114 36.678 12.079 1.00 0.00 O ATOM 80 CB VAL A 5 30.316 33.743 12.531 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.572 33.774 14.039 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.139 32.294 12.074 1.00 0.00 C ATOM 0 H VAL A 5 29.524 34.753 10.143 1.00 0.00 H new ATOM 0 HA VAL A 5 28.215 34.113 12.778 1.00 0.00 H new ATOM 0 HB VAL A 5 31.163 34.188 12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.476 33.210 14.266 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.697 34.806 14.366 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.725 33.328 14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.043 31.728 12.299 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.292 31.849 12.597 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.955 32.271 11.000 1.00 0.00 H new ATOM 92 N LYS A 6 28.444 36.486 13.514 1.00 0.00 N ATOM 93 CA LYS A 6 28.572 37.902 13.959 1.00 0.00 C ATOM 94 C LYS A 6 29.446 37.945 15.216 1.00 0.00 C ATOM 95 O LYS A 6 29.161 37.290 16.202 1.00 0.00 O ATOM 96 CB LYS A 6 27.180 38.455 14.277 1.00 0.00 C ATOM 97 CG LYS A 6 27.279 39.947 14.608 1.00 0.00 C ATOM 98 CD LYS A 6 25.910 40.472 15.060 1.00 0.00 C ATOM 99 CE LYS A 6 24.938 40.505 13.875 1.00 0.00 C ATOM 100 NZ LYS A 6 23.795 41.406 14.201 1.00 0.00 N ATOM 0 H LYS A 6 27.702 35.957 13.973 1.00 0.00 H new ATOM 0 HA LYS A 6 29.028 38.506 13.174 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.516 38.305 13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.747 37.914 15.119 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.017 40.106 15.394 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.620 40.501 13.733 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.511 39.835 15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.017 41.472 15.480 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.450 40.857 12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.574 39.500 13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.133 41.431 13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.303 41.051 15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.151 42.365 14.386 1.00 0.00 H new ATOM 114 N THR A 7 30.509 38.707 15.191 1.00 0.00 N ATOM 115 CA THR A 7 31.407 38.796 16.382 1.00 0.00 C ATOM 116 C THR A 7 31.074 40.062 17.176 1.00 0.00 C ATOM 117 O THR A 7 30.579 41.032 16.636 1.00 0.00 O ATOM 118 CB THR A 7 32.864 38.853 15.915 1.00 0.00 C ATOM 119 OG1 THR A 7 33.108 37.791 15.002 1.00 0.00 O ATOM 120 CG2 THR A 7 33.793 38.714 17.123 1.00 0.00 C ATOM 0 H THR A 7 30.795 39.274 14.393 1.00 0.00 H new ATOM 0 HA THR A 7 31.262 37.921 17.016 1.00 0.00 H new ATOM 0 HB THR A 7 33.052 39.807 15.422 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.830 38.063 14.102 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.830 38.755 16.791 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.604 39.528 17.823 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.607 37.760 17.617 1.00 0.00 H new ATOM 128 N LEU A 8 31.336 40.059 18.454 1.00 0.00 N ATOM 129 CA LEU A 8 31.030 41.259 19.286 1.00 0.00 C ATOM 130 C LEU A 8 31.810 42.468 18.757 1.00 0.00 C ATOM 131 O LEU A 8 31.490 43.601 19.053 1.00 0.00 O ATOM 132 CB LEU A 8 31.433 40.987 20.741 1.00 0.00 C ATOM 133 CG LEU A 8 30.360 40.137 21.429 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.132 38.851 20.633 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.823 39.787 22.845 1.00 0.00 C ATOM 0 H LEU A 8 31.750 39.276 18.960 1.00 0.00 H new ATOM 0 HA LEU A 8 29.962 41.470 19.236 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.393 40.471 20.771 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.560 41.929 21.274 1.00 0.00 H new ATOM 0 HG LEU A 8 29.427 40.699 21.477 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.368 38.249 21.125 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.803 39.101 19.624 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.062 38.285 20.581 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.062 39.182 23.338 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.756 39.226 22.794 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.982 40.704 23.413 1.00 0.00 H new ATOM 147 N THR A 9 32.836 42.239 17.981 1.00 0.00 N ATOM 148 CA THR A 9 33.634 43.381 17.446 1.00 0.00 C ATOM 149 C THR A 9 32.931 43.970 16.221 1.00 0.00 C ATOM 150 O THR A 9 33.368 44.953 15.656 1.00 0.00 O ATOM 151 CB THR A 9 35.028 42.890 17.053 1.00 0.00 C ATOM 152 OG1 THR A 9 34.913 41.892 16.049 1.00 0.00 O ATOM 153 CG2 THR A 9 35.726 42.305 18.282 1.00 0.00 C ATOM 0 H THR A 9 33.155 41.313 17.695 1.00 0.00 H new ATOM 0 HA THR A 9 33.725 44.150 18.213 1.00 0.00 H new ATOM 0 HB THR A 9 35.614 43.724 16.667 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.444 41.109 16.304 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.720 41.954 18.004 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.814 43.073 19.050 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.142 41.470 18.669 1.00 0.00 H new ATOM 161 N GLY A 10 31.838 43.383 15.812 1.00 0.00 N ATOM 162 CA GLY A 10 31.098 43.911 14.631 1.00 0.00 C ATOM 163 C GLY A 10 31.666 43.312 13.344 1.00 0.00 C ATOM 164 O GLY A 10 31.359 43.759 12.256 1.00 0.00 O ATOM 0 H GLY A 10 31.425 42.558 16.247 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.039 43.669 14.718 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.175 44.998 14.600 1.00 0.00 H new ATOM 168 N LYS A 11 32.493 42.302 13.446 1.00 0.00 N ATOM 169 CA LYS A 11 33.072 41.681 12.216 1.00 0.00 C ATOM 170 C LYS A 11 32.205 40.498 11.783 1.00 0.00 C ATOM 171 O LYS A 11 32.010 39.554 12.522 1.00 0.00 O ATOM 172 CB LYS A 11 34.485 41.176 12.515 1.00 0.00 C ATOM 173 CG LYS A 11 35.420 42.365 12.755 1.00 0.00 C ATOM 174 CD LYS A 11 36.729 41.874 13.381 1.00 0.00 C ATOM 175 CE LYS A 11 37.484 40.994 12.381 1.00 0.00 C ATOM 176 NZ LYS A 11 38.889 40.810 12.842 1.00 0.00 N ATOM 0 H LYS A 11 32.792 41.881 14.326 1.00 0.00 H new ATOM 0 HA LYS A 11 33.105 42.425 11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.472 40.529 13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.851 40.576 11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.625 42.875 11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.941 43.090 13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 11 37.346 42.725 13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 11 36.519 41.310 14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.991 40.026 12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.472 41.455 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 39.402 40.212 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 39.356 41.737 12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 38.891 40.352 13.776 1.00 0.00 H new ATOM 190 N THR A 12 31.687 40.544 10.582 1.00 0.00 N ATOM 191 CA THR A 12 30.829 39.427 10.076 1.00 0.00 C ATOM 192 C THR A 12 31.634 38.578 9.090 1.00 0.00 C ATOM 193 O THR A 12 32.238 39.092 8.171 1.00 0.00 O ATOM 194 CB THR A 12 29.606 40.007 9.362 1.00 0.00 C ATOM 195 OG1 THR A 12 28.923 40.891 10.238 1.00 0.00 O ATOM 196 CG2 THR A 12 28.670 38.869 8.950 1.00 0.00 C ATOM 0 H THR A 12 31.822 41.312 9.925 1.00 0.00 H new ATOM 0 HA THR A 12 30.504 38.809 10.913 1.00 0.00 H new ATOM 0 HB THR A 12 29.926 40.552 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.141 41.264 9.781 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.798 39.281 8.441 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.196 38.191 8.278 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.348 38.323 9.837 1.00 0.00 H new ATOM 204 N ILE A 13 31.640 37.279 9.276 1.00 0.00 N ATOM 205 CA ILE A 13 32.401 36.375 8.347 1.00 0.00 C ATOM 206 C ILE A 13 31.464 35.289 7.814 1.00 0.00 C ATOM 207 O ILE A 13 30.571 34.834 8.501 1.00 0.00 O ATOM 208 CB ILE A 13 33.572 35.730 9.095 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.280 34.734 8.172 1.00 0.00 C ATOM 210 CG2 ILE A 13 33.054 34.999 10.331 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.620 34.326 8.790 1.00 0.00 C ATOM 0 H ILE A 13 31.150 36.802 10.033 1.00 0.00 H new ATOM 0 HA ILE A 13 32.791 36.958 7.512 1.00 0.00 H new ATOM 0 HB ILE A 13 34.274 36.505 9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.654 33.854 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 13 34.441 35.182 7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.890 34.542 10.860 1.00 0.00 H new ATOM 0 HG22 ILE A 13 32.552 35.708 10.989 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.350 34.225 10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.123 33.617 8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.246 35.209 8.918 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.447 33.861 9.760 1.00 0.00 H new ATOM 223 N THR A 14 31.663 34.877 6.586 1.00 0.00 N ATOM 224 CA THR A 14 30.789 33.822 5.978 1.00 0.00 C ATOM 225 C THR A 14 31.554 32.499 5.912 1.00 0.00 C ATOM 226 O THR A 14 32.716 32.461 5.561 1.00 0.00 O ATOM 227 CB THR A 14 30.387 34.249 4.564 1.00 0.00 C ATOM 228 OG1 THR A 14 29.437 33.328 4.047 1.00 0.00 O ATOM 229 CG2 THR A 14 31.620 34.272 3.658 1.00 0.00 C ATOM 0 H THR A 14 32.399 35.228 5.973 1.00 0.00 H new ATOM 0 HA THR A 14 29.896 33.694 6.589 1.00 0.00 H new ATOM 0 HB THR A 14 29.950 35.247 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.546 33.735 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.327 34.577 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.349 34.979 4.054 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.063 33.277 3.621 1.00 0.00 H new ATOM 237 N LEU A 15 30.905 31.411 6.251 1.00 0.00 N ATOM 238 CA LEU A 15 31.577 30.072 6.219 1.00 0.00 C ATOM 239 C LEU A 15 30.714 29.084 5.432 1.00 0.00 C ATOM 240 O LEU A 15 29.502 29.162 5.432 1.00 0.00 O ATOM 241 CB LEU A 15 31.740 29.545 7.648 1.00 0.00 C ATOM 242 CG LEU A 15 32.630 30.489 8.473 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.411 30.219 9.965 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.111 30.257 8.138 1.00 0.00 C ATOM 0 H LEU A 15 29.930 31.393 6.551 1.00 0.00 H new ATOM 0 HA LEU A 15 32.553 30.176 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.762 29.452 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.180 28.548 7.626 1.00 0.00 H new ATOM 0 HG LEU A 15 32.365 31.519 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.041 30.887 10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.365 30.393 10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.671 29.185 10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.728 30.933 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.379 29.226 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.278 30.448 7.078 1.00 0.00 H new ATOM 256 N GLU A 16 31.341 28.132 4.789 1.00 0.00 N ATOM 257 CA GLU A 16 30.586 27.095 4.020 1.00 0.00 C ATOM 258 C GLU A 16 30.669 25.790 4.810 1.00 0.00 C ATOM 259 O GLU A 16 31.745 25.337 5.150 1.00 0.00 O ATOM 260 CB GLU A 16 31.227 26.906 2.643 1.00 0.00 C ATOM 261 CG GLU A 16 30.443 25.852 1.856 1.00 0.00 C ATOM 262 CD GLU A 16 30.883 25.877 0.391 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.875 25.238 0.081 1.00 0.00 O ATOM 264 OE2 GLU A 16 30.221 26.535 -0.394 1.00 0.00 O ATOM 0 H GLU A 16 32.355 28.027 4.764 1.00 0.00 H new ATOM 0 HA GLU A 16 29.548 27.397 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.233 27.851 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.266 26.595 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.614 24.863 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.373 26.049 1.929 1.00 0.00 H new ATOM 271 N VAL A 17 29.553 25.182 5.122 1.00 0.00 N ATOM 272 CA VAL A 17 29.596 23.912 5.915 1.00 0.00 C ATOM 273 C VAL A 17 28.466 22.977 5.480 1.00 0.00 C ATOM 274 O VAL A 17 27.630 23.320 4.667 1.00 0.00 O ATOM 275 CB VAL A 17 29.458 24.243 7.421 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.159 25.571 7.725 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.977 24.355 7.822 1.00 0.00 C ATOM 0 H VAL A 17 28.620 25.505 4.865 1.00 0.00 H new ATOM 0 HA VAL A 17 30.548 23.411 5.738 1.00 0.00 H new ATOM 0 HB VAL A 17 29.920 23.437 7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.060 25.800 8.786 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.215 25.492 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.701 26.367 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.904 24.588 8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.502 25.147 7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.474 23.409 7.623 1.00 0.00 H new ATOM 287 N GLU A 18 28.437 21.798 6.042 1.00 0.00 N ATOM 288 CA GLU A 18 27.370 20.807 5.714 1.00 0.00 C ATOM 289 C GLU A 18 26.461 20.661 6.943 1.00 0.00 C ATOM 290 O GLU A 18 26.887 20.883 8.057 1.00 0.00 O ATOM 291 CB GLU A 18 28.031 19.456 5.398 1.00 0.00 C ATOM 292 CG GLU A 18 28.535 19.452 3.952 1.00 0.00 C ATOM 293 CD GLU A 18 29.308 18.160 3.685 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.569 17.441 4.635 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.627 17.910 2.534 1.00 0.00 O ATOM 0 H GLU A 18 29.120 21.474 6.727 1.00 0.00 H new ATOM 0 HA GLU A 18 26.786 21.135 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.860 19.277 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.316 18.647 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.695 19.535 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.177 20.315 3.777 1.00 0.00 H new ATOM 302 N PRO A 19 25.225 20.285 6.758 1.00 0.00 N ATOM 303 CA PRO A 19 24.272 20.106 7.896 1.00 0.00 C ATOM 304 C PRO A 19 24.697 18.931 8.780 1.00 0.00 C ATOM 305 O PRO A 19 24.512 18.936 9.981 1.00 0.00 O ATOM 306 CB PRO A 19 22.938 19.812 7.199 1.00 0.00 C ATOM 307 CG PRO A 19 23.338 19.213 5.895 1.00 0.00 C ATOM 308 CD PRO A 19 24.584 19.978 5.469 1.00 0.00 C ATOM 0 HA PRO A 19 24.225 20.973 8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.325 19.125 7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.352 20.720 7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.546 18.148 5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.543 19.312 5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.229 19.378 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.335 20.882 4.914 1.00 0.00 H new ATOM 316 N SER A 20 25.269 17.924 8.182 1.00 0.00 N ATOM 317 CA SER A 20 25.717 16.742 8.963 1.00 0.00 C ATOM 318 C SER A 20 27.105 17.014 9.541 1.00 0.00 C ATOM 319 O SER A 20 27.710 16.155 10.150 1.00 0.00 O ATOM 320 CB SER A 20 25.780 15.521 8.045 1.00 0.00 C ATOM 321 OG SER A 20 24.464 15.178 7.628 1.00 0.00 O ATOM 0 H SER A 20 25.446 17.870 7.179 1.00 0.00 H new ATOM 0 HA SER A 20 25.014 16.552 9.774 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.404 15.736 7.178 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.239 14.682 8.568 1.00 0.00 H new ATOM 0 HG SER A 20 24.501 14.397 7.038 1.00 0.00 H new ATOM 327 N ASP A 21 27.622 18.204 9.360 1.00 0.00 N ATOM 328 CA ASP A 21 28.974 18.497 9.916 1.00 0.00 C ATOM 329 C ASP A 21 28.886 18.533 11.446 1.00 0.00 C ATOM 330 O ASP A 21 27.875 18.909 12.014 1.00 0.00 O ATOM 331 CB ASP A 21 29.498 19.848 9.373 1.00 0.00 C ATOM 332 CG ASP A 21 31.023 19.788 9.205 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.485 18.899 8.511 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.697 20.627 9.774 1.00 0.00 O ATOM 0 H ASP A 21 27.174 18.972 8.860 1.00 0.00 H new ATOM 0 HA ASP A 21 29.671 17.717 9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.027 20.073 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.230 20.653 10.057 1.00 0.00 H new ATOM 339 N THR A 22 29.938 18.139 12.115 1.00 0.00 N ATOM 340 CA THR A 22 29.928 18.141 13.607 1.00 0.00 C ATOM 341 C THR A 22 30.491 19.467 14.114 1.00 0.00 C ATOM 342 O THR A 22 31.316 20.083 13.472 1.00 0.00 O ATOM 343 CB THR A 22 30.802 16.993 14.118 1.00 0.00 C ATOM 344 OG1 THR A 22 32.154 17.234 13.756 1.00 0.00 O ATOM 345 CG2 THR A 22 30.332 15.677 13.496 1.00 0.00 C ATOM 0 H THR A 22 30.807 17.815 11.690 1.00 0.00 H new ATOM 0 HA THR A 22 28.907 18.015 13.967 1.00 0.00 H new ATOM 0 HB THR A 22 30.722 16.928 15.203 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.716 16.501 14.084 1.00 0.00 H new ATOM 0 HG21 THR A 22 30.955 14.860 13.860 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.294 15.494 13.773 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.412 15.738 12.411 1.00 0.00 H new ATOM 353 N ILE A 23 30.056 19.916 15.259 1.00 0.00 N ATOM 354 CA ILE A 23 30.581 21.204 15.788 1.00 0.00 C ATOM 355 C ILE A 23 32.111 21.139 15.829 1.00 0.00 C ATOM 356 O ILE A 23 32.791 22.093 15.510 1.00 0.00 O ATOM 357 CB ILE A 23 30.037 21.446 17.201 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.498 21.354 17.210 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.463 22.837 17.676 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.901 22.253 16.123 1.00 0.00 C ATOM 0 H ILE A 23 29.365 19.450 15.847 1.00 0.00 H new ATOM 0 HA ILE A 23 30.263 22.022 15.141 1.00 0.00 H new ATOM 0 HB ILE A 23 30.439 20.684 17.868 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.188 20.322 17.047 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.116 21.651 18.187 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.078 23.012 18.680 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.551 22.900 17.689 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.064 23.591 16.998 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.814 22.176 16.144 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.195 23.287 16.304 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.269 21.937 15.147 1.00 0.00 H new ATOM 372 N GLU A 24 32.659 20.017 16.212 1.00 0.00 N ATOM 373 CA GLU A 24 34.146 19.892 16.266 1.00 0.00 C ATOM 374 C GLU A 24 34.735 20.091 14.867 1.00 0.00 C ATOM 375 O GLU A 24 35.723 20.777 14.691 1.00 0.00 O ATOM 376 CB GLU A 24 34.518 18.495 16.772 1.00 0.00 C ATOM 377 CG GLU A 24 34.177 18.379 18.259 1.00 0.00 C ATOM 378 CD GLU A 24 34.488 16.961 18.742 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.658 16.657 18.909 1.00 0.00 O ATOM 380 OE2 GLU A 24 33.552 16.204 18.936 1.00 0.00 O ATOM 0 H GLU A 24 32.143 19.182 16.490 1.00 0.00 H new ATOM 0 HA GLU A 24 34.546 20.650 16.939 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.979 17.736 16.205 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.581 18.313 16.617 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.752 19.105 18.833 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.124 18.607 18.421 1.00 0.00 H new ATOM 387 N ASN A 25 34.136 19.500 13.870 1.00 0.00 N ATOM 388 CA ASN A 25 34.662 19.657 12.481 1.00 0.00 C ATOM 389 C ASN A 25 34.483 21.105 12.026 1.00 0.00 C ATOM 390 O ASN A 25 35.319 21.663 11.344 1.00 0.00 O ATOM 391 CB ASN A 25 33.895 18.733 11.531 1.00 0.00 C ATOM 392 CG ASN A 25 34.544 18.776 10.146 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.097 19.495 9.276 1.00 0.00 O ATOM 394 ND2 ASN A 25 35.587 18.030 9.905 1.00 0.00 N ATOM 0 H ASN A 25 33.305 18.915 13.955 1.00 0.00 H new ATOM 0 HA ASN A 25 35.720 19.396 12.468 1.00 0.00 H new ATOM 0 HB2 ASN A 25 33.900 17.713 11.915 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.852 19.044 11.466 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.027 18.051 8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 25 35.962 17.426 10.636 1.00 0.00 H new ATOM 401 N VAL A 26 33.395 21.717 12.396 1.00 0.00 N ATOM 402 CA VAL A 26 33.160 23.126 11.980 1.00 0.00 C ATOM 403 C VAL A 26 34.128 24.048 12.725 1.00 0.00 C ATOM 404 O VAL A 26 34.511 25.088 12.225 1.00 0.00 O ATOM 405 CB VAL A 26 31.714 23.516 12.289 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.484 24.974 11.905 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.768 22.636 11.472 1.00 0.00 C ATOM 0 H VAL A 26 32.659 21.303 12.968 1.00 0.00 H new ATOM 0 HA VAL A 26 33.332 23.225 10.908 1.00 0.00 H new ATOM 0 HB VAL A 26 31.524 23.381 13.354 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.453 25.250 12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.160 25.611 12.475 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.674 25.104 10.840 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.736 22.911 11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.965 22.779 10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.927 21.590 11.733 1.00 0.00 H new ATOM 417 N LYS A 27 34.541 23.675 13.909 1.00 0.00 N ATOM 418 CA LYS A 27 35.497 24.529 14.667 1.00 0.00 C ATOM 419 C LYS A 27 36.847 24.458 13.964 1.00 0.00 C ATOM 420 O LYS A 27 37.580 25.426 13.885 1.00 0.00 O ATOM 421 CB LYS A 27 35.636 23.998 16.102 1.00 0.00 C ATOM 422 CG LYS A 27 34.471 24.496 16.961 1.00 0.00 C ATOM 423 CD LYS A 27 34.613 23.933 18.377 1.00 0.00 C ATOM 424 CE LYS A 27 33.672 24.679 19.324 1.00 0.00 C ATOM 425 NZ LYS A 27 33.750 24.071 20.683 1.00 0.00 N ATOM 0 H LYS A 27 34.257 22.817 14.381 1.00 0.00 H new ATOM 0 HA LYS A 27 35.140 25.558 14.706 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.653 22.908 16.095 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.582 24.329 16.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.464 25.586 16.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.522 24.182 16.525 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.380 22.868 18.381 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.643 24.035 18.718 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.945 25.733 19.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.649 24.630 18.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.110 24.578 21.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.469 23.071 20.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.725 24.139 21.038 1.00 0.00 H new ATOM 439 N ALA A 28 37.161 23.315 13.431 1.00 0.00 N ATOM 440 CA ALA A 28 38.441 23.155 12.703 1.00 0.00 C ATOM 441 C ALA A 28 38.433 24.121 11.514 1.00 0.00 C ATOM 442 O ALA A 28 39.380 24.846 11.277 1.00 0.00 O ATOM 443 CB ALA A 28 38.544 21.708 12.217 1.00 0.00 C ATOM 0 H ALA A 28 36.579 22.478 13.470 1.00 0.00 H new ATOM 0 HA ALA A 28 39.295 23.376 13.344 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.481 21.571 11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.516 21.034 13.073 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.708 21.487 11.553 1.00 0.00 H new ATOM 449 N LYS A 29 37.360 24.130 10.773 1.00 0.00 N ATOM 450 CA LYS A 29 37.260 25.040 9.600 1.00 0.00 C ATOM 451 C LYS A 29 37.501 26.482 10.052 1.00 0.00 C ATOM 452 O LYS A 29 38.253 27.218 9.443 1.00 0.00 O ATOM 453 CB LYS A 29 35.853 24.937 8.997 1.00 0.00 C ATOM 454 CG LYS A 29 35.546 23.481 8.592 1.00 0.00 C ATOM 455 CD LYS A 29 36.087 23.188 7.180 1.00 0.00 C ATOM 456 CE LYS A 29 35.066 23.623 6.120 1.00 0.00 C ATOM 457 NZ LYS A 29 35.739 23.729 4.794 1.00 0.00 N ATOM 0 H LYS A 29 36.542 23.541 10.932 1.00 0.00 H new ATOM 0 HA LYS A 29 38.005 24.756 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.115 25.283 9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.775 25.587 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.996 22.795 9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.470 23.309 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.028 23.716 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.298 22.124 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.250 22.902 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.627 24.582 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.047 24.024 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.503 24.432 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.137 22.805 4.532 1.00 0.00 H new ATOM 471 N ILE A 30 36.860 26.892 11.112 1.00 0.00 N ATOM 472 CA ILE A 30 37.045 28.287 11.599 1.00 0.00 C ATOM 473 C ILE A 30 38.505 28.500 11.993 1.00 0.00 C ATOM 474 O ILE A 30 39.072 29.543 11.751 1.00 0.00 O ATOM 475 CB ILE A 30 36.148 28.529 12.814 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.682 28.447 12.381 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.429 29.923 13.390 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.781 28.447 13.616 1.00 0.00 C ATOM 0 H ILE A 30 36.217 26.322 11.661 1.00 0.00 H new ATOM 0 HA ILE A 30 36.777 28.985 10.806 1.00 0.00 H new ATOM 0 HB ILE A 30 36.352 27.775 13.574 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.435 29.292 11.738 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.515 27.542 11.797 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.789 30.095 14.256 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.474 29.988 13.692 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.223 30.678 12.632 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.738 28.389 13.305 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.022 27.588 14.242 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.940 29.365 14.182 1.00 0.00 H new ATOM 490 N GLN A 31 39.114 27.524 12.606 1.00 0.00 N ATOM 491 CA GLN A 31 40.537 27.672 13.023 1.00 0.00 C ATOM 492 C GLN A 31 41.426 27.854 11.791 1.00 0.00 C ATOM 493 O GLN A 31 42.308 28.686 11.765 1.00 0.00 O ATOM 494 CB GLN A 31 40.971 26.409 13.771 1.00 0.00 C ATOM 495 CG GLN A 31 42.407 26.568 14.276 1.00 0.00 C ATOM 496 CD GLN A 31 42.811 25.318 15.061 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.013 24.758 15.787 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.025 24.853 14.945 1.00 0.00 N ATOM 0 H GLN A 31 38.687 26.627 12.837 1.00 0.00 H new ATOM 0 HA GLN A 31 40.635 28.545 13.669 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.300 26.224 14.610 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.902 25.544 13.111 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.085 26.718 13.436 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.485 27.451 14.911 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.695 25.323 14.336 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.304 24.020 15.463 1.00 0.00 H new ATOM 507 N ASP A 32 41.215 27.064 10.781 1.00 0.00 N ATOM 508 CA ASP A 32 42.061 27.162 9.557 1.00 0.00 C ATOM 509 C ASP A 32 41.896 28.526 8.873 1.00 0.00 C ATOM 510 O ASP A 32 42.810 29.021 8.245 1.00 0.00 O ATOM 511 CB ASP A 32 41.654 26.058 8.578 1.00 0.00 C ATOM 512 CG ASP A 32 41.938 24.691 9.203 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.949 24.566 9.875 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.138 23.792 9.001 1.00 0.00 O ATOM 0 H ASP A 32 40.489 26.349 10.747 1.00 0.00 H new ATOM 0 HA ASP A 32 43.105 27.049 9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.595 26.145 8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.206 26.164 7.644 1.00 0.00 H new ATOM 519 N LYS A 33 40.736 29.125 8.952 1.00 0.00 N ATOM 520 CA LYS A 33 40.523 30.440 8.261 1.00 0.00 C ATOM 521 C LYS A 33 40.766 31.623 9.212 1.00 0.00 C ATOM 522 O LYS A 33 41.350 32.617 8.830 1.00 0.00 O ATOM 523 CB LYS A 33 39.087 30.492 7.742 1.00 0.00 C ATOM 524 CG LYS A 33 38.829 29.267 6.861 1.00 0.00 C ATOM 525 CD LYS A 33 37.414 29.332 6.283 1.00 0.00 C ATOM 526 CE LYS A 33 37.149 28.080 5.445 1.00 0.00 C ATOM 527 NZ LYS A 33 37.285 26.871 6.306 1.00 0.00 N ATOM 0 H LYS A 33 39.929 28.766 9.461 1.00 0.00 H new ATOM 0 HA LYS A 33 41.234 30.521 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.386 30.510 8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.926 31.407 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.560 29.228 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.951 28.355 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.683 29.405 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.301 30.225 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.149 28.122 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.853 28.029 4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.542 26.185 6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.219 26.439 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 37.189 27.144 7.305 1.00 0.00 H new ATOM 541 N GLU A 34 40.314 31.542 10.436 1.00 0.00 N ATOM 542 CA GLU A 34 40.512 32.683 11.387 1.00 0.00 C ATOM 543 C GLU A 34 41.814 32.491 12.175 1.00 0.00 C ATOM 544 O GLU A 34 42.403 33.440 12.655 1.00 0.00 O ATOM 545 CB GLU A 34 39.326 32.747 12.352 1.00 0.00 C ATOM 546 CG GLU A 34 38.059 33.104 11.568 1.00 0.00 C ATOM 547 CD GLU A 34 38.143 34.558 11.094 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.687 34.782 10.026 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.658 35.420 11.808 1.00 0.00 O ATOM 0 H GLU A 34 39.817 30.738 10.820 1.00 0.00 H new ATOM 0 HA GLU A 34 40.576 33.615 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.199 31.789 12.855 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.511 33.492 13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.948 32.438 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.179 32.966 12.196 1.00 0.00 H new ATOM 556 N GLY A 35 42.276 31.279 12.295 1.00 0.00 N ATOM 557 CA GLY A 35 43.552 31.034 13.029 1.00 0.00 C ATOM 558 C GLY A 35 43.367 31.235 14.538 1.00 0.00 C ATOM 559 O GLY A 35 44.291 31.058 15.305 1.00 0.00 O ATOM 0 H GLY A 35 41.826 30.445 11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.899 30.019 12.834 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.323 31.711 12.660 1.00 0.00 H new ATOM 563 N ILE A 36 42.194 31.605 14.978 1.00 0.00 N ATOM 564 CA ILE A 36 41.985 31.812 16.444 1.00 0.00 C ATOM 565 C ILE A 36 41.674 30.457 17.117 1.00 0.00 C ATOM 566 O ILE A 36 40.685 29.834 16.791 1.00 0.00 O ATOM 567 CB ILE A 36 40.802 32.759 16.657 1.00 0.00 C ATOM 568 CG1 ILE A 36 41.036 34.046 15.861 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.682 33.094 18.145 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.809 34.953 15.975 1.00 0.00 C ATOM 0 H ILE A 36 41.376 31.772 14.392 1.00 0.00 H new ATOM 0 HA ILE A 36 42.886 32.241 16.882 1.00 0.00 H new ATOM 0 HB ILE A 36 39.883 32.281 16.317 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.919 34.563 16.238 1.00 0.00 H new ATOM 0 HG13 ILE A 36 41.228 33.808 14.815 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.840 33.769 18.299 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.521 32.177 18.713 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.599 33.575 18.485 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.979 35.868 15.407 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.936 34.436 15.577 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.637 35.202 17.022 1.00 0.00 H new ATOM 582 N PRO A 37 42.485 29.991 18.056 1.00 0.00 N ATOM 583 CA PRO A 37 42.226 28.686 18.741 1.00 0.00 C ATOM 584 C PRO A 37 40.770 28.574 19.242 1.00 0.00 C ATOM 585 O PRO A 37 40.147 29.563 19.580 1.00 0.00 O ATOM 586 CB PRO A 37 43.200 28.698 19.928 1.00 0.00 C ATOM 587 CG PRO A 37 44.335 29.563 19.484 1.00 0.00 C ATOM 588 CD PRO A 37 43.731 30.620 18.552 1.00 0.00 C ATOM 0 HA PRO A 37 42.368 27.839 18.070 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.726 29.098 20.824 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.541 27.691 20.170 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.824 30.031 20.338 1.00 0.00 H new ATOM 0 HG3 PRO A 37 45.093 28.975 18.966 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.525 31.549 19.083 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.408 30.864 17.733 1.00 0.00 H new ATOM 596 N PRO A 38 40.230 27.379 19.295 1.00 0.00 N ATOM 597 CA PRO A 38 38.826 27.152 19.752 1.00 0.00 C ATOM 598 C PRO A 38 38.650 27.408 21.253 1.00 0.00 C ATOM 599 O PRO A 38 37.568 27.720 21.712 1.00 0.00 O ATOM 600 CB PRO A 38 38.577 25.679 19.415 1.00 0.00 C ATOM 601 CG PRO A 38 39.924 25.068 19.509 1.00 0.00 C ATOM 602 CD PRO A 38 40.882 26.108 18.937 1.00 0.00 C ATOM 0 HA PRO A 38 38.124 27.833 19.272 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.879 25.220 20.115 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.152 25.562 18.418 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.175 24.829 20.542 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.973 24.137 18.945 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.877 26.026 19.374 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.998 26.002 17.858 1.00 0.00 H new ATOM 610 N ASP A 39 39.696 27.283 22.022 1.00 0.00 N ATOM 611 CA ASP A 39 39.566 27.520 23.485 1.00 0.00 C ATOM 612 C ASP A 39 39.450 29.018 23.756 1.00 0.00 C ATOM 613 O ASP A 39 39.300 29.438 24.887 1.00 0.00 O ATOM 614 CB ASP A 39 40.800 26.967 24.200 1.00 0.00 C ATOM 615 CG ASP A 39 40.814 25.442 24.087 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.743 24.858 24.097 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.895 24.884 23.992 1.00 0.00 O ATOM 0 H ASP A 39 40.630 27.028 21.702 1.00 0.00 H new ATOM 0 HA ASP A 39 38.672 27.017 23.855 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.706 27.383 23.759 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.790 27.265 25.249 1.00 0.00 H new ATOM 622 N GLN A 40 39.521 29.834 22.731 1.00 0.00 N ATOM 623 CA GLN A 40 39.416 31.311 22.936 1.00 0.00 C ATOM 624 C GLN A 40 38.008 31.791 22.576 1.00 0.00 C ATOM 625 O GLN A 40 37.674 32.940 22.789 1.00 0.00 O ATOM 626 CB GLN A 40 40.431 32.022 22.033 1.00 0.00 C ATOM 627 CG GLN A 40 41.850 31.801 22.568 1.00 0.00 C ATOM 628 CD GLN A 40 42.852 32.571 21.700 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.553 33.643 21.213 1.00 0.00 O ATOM 630 NE2 GLN A 40 44.040 32.068 21.488 1.00 0.00 N ATOM 0 H GLN A 40 39.647 29.540 21.763 1.00 0.00 H new ATOM 0 HA GLN A 40 39.620 31.540 23.982 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.354 31.642 21.014 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.210 33.089 21.993 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.916 32.137 23.603 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.090 30.738 22.562 1.00 0.00 H new ATOM 0 HE21 GLN A 40 44.293 31.168 21.896 1.00 0.00 H new ATOM 0 HE22 GLN A 40 44.714 32.576 20.915 1.00 0.00 H new ATOM 639 N GLN A 41 37.178 30.936 22.014 1.00 0.00 N ATOM 640 CA GLN A 41 35.800 31.381 21.629 1.00 0.00 C ATOM 641 C GLN A 41 34.773 30.263 21.872 1.00 0.00 C ATOM 642 O GLN A 41 35.109 29.102 21.975 1.00 0.00 O ATOM 643 CB GLN A 41 35.801 31.762 20.153 1.00 0.00 C ATOM 644 CG GLN A 41 36.286 30.576 19.314 1.00 0.00 C ATOM 645 CD GLN A 41 36.373 31.000 17.847 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.642 30.502 17.014 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.239 31.909 17.495 1.00 0.00 N ATOM 0 H GLN A 41 37.395 29.961 21.808 1.00 0.00 H new ATOM 0 HA GLN A 41 35.521 32.238 22.242 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.798 32.054 19.842 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.448 32.624 19.990 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.261 30.241 19.666 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.601 29.735 19.422 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.853 32.327 18.195 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.303 32.202 16.520 1.00 0.00 H new ATOM 656 N ARG A 42 33.515 30.638 21.990 1.00 0.00 N ATOM 657 CA ARG A 42 32.420 29.658 22.260 1.00 0.00 C ATOM 658 C ARG A 42 31.273 29.944 21.266 1.00 0.00 C ATOM 659 O ARG A 42 30.766 31.047 21.182 1.00 0.00 O ATOM 660 CB ARG A 42 32.010 29.815 23.749 1.00 0.00 C ATOM 661 CG ARG A 42 33.326 29.788 24.560 1.00 0.00 C ATOM 662 CD ARG A 42 33.159 29.748 26.113 1.00 0.00 C ATOM 663 NE ARG A 42 31.715 29.638 26.622 1.00 0.00 N ATOM 664 CZ ARG A 42 31.329 30.383 27.660 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.242 30.093 28.337 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.009 31.459 27.967 1.00 0.00 N ATOM 0 H ARG A 42 33.201 31.605 21.908 1.00 0.00 H new ATOM 0 HA ARG A 42 32.721 28.621 22.112 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.473 30.750 23.909 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.345 29.008 24.058 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.904 28.917 24.252 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.912 30.669 24.298 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.727 28.902 26.500 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.605 30.650 26.532 1.00 0.00 H new ATOM 0 HE ARG A 42 31.057 29.002 26.171 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.676 29.286 28.073 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.963 30.674 29.127 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.826 31.721 27.415 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.722 32.035 28.758 1.00 0.00 H new ATOM 680 N LEU A 43 30.909 28.965 20.462 1.00 0.00 N ATOM 681 CA LEU A 43 29.852 29.187 19.424 1.00 0.00 C ATOM 682 C LEU A 43 28.462 28.976 20.019 1.00 0.00 C ATOM 683 O LEU A 43 28.133 27.914 20.527 1.00 0.00 O ATOM 684 CB LEU A 43 30.063 28.205 18.259 1.00 0.00 C ATOM 685 CG LEU A 43 31.530 28.226 17.818 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.712 27.317 16.598 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.939 29.660 17.458 1.00 0.00 C ATOM 0 H LEU A 43 31.301 28.023 20.483 1.00 0.00 H new ATOM 0 HA LEU A 43 29.927 30.213 19.063 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.781 27.198 18.565 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.419 28.476 17.422 1.00 0.00 H new ATOM 0 HG LEU A 43 32.158 27.866 18.633 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.756 27.333 16.285 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.426 26.298 16.858 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.083 27.673 15.782 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.983 29.673 17.145 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.311 30.024 16.645 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.814 30.304 18.329 1.00 0.00 H new ATOM 699 N ILE A 44 27.637 29.991 19.944 1.00 0.00 N ATOM 700 CA ILE A 44 26.252 29.900 20.486 1.00 0.00 C ATOM 701 C ILE A 44 25.252 30.036 19.337 1.00 0.00 C ATOM 702 O ILE A 44 25.355 30.923 18.513 1.00 0.00 O ATOM 703 CB ILE A 44 26.010 31.046 21.473 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.163 31.125 22.489 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.678 30.820 22.200 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.342 29.789 23.220 1.00 0.00 C ATOM 0 H ILE A 44 27.871 30.890 19.523 1.00 0.00 H new ATOM 0 HA ILE A 44 26.126 28.941 20.989 1.00 0.00 H new ATOM 0 HB ILE A 44 25.966 31.988 20.926 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.087 31.390 21.976 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.962 31.915 23.212 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.504 31.635 22.903 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.867 30.789 21.472 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.715 29.875 22.742 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.163 29.871 23.932 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.424 29.539 23.752 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.567 29.006 22.496 1.00 0.00 H new ATOM 718 N PHE A 45 24.270 29.178 19.295 1.00 0.00 N ATOM 719 CA PHE A 45 23.227 29.255 18.227 1.00 0.00 C ATOM 720 C PHE A 45 21.889 29.477 18.919 1.00 0.00 C ATOM 721 O PHE A 45 21.586 28.843 19.911 1.00 0.00 O ATOM 722 CB PHE A 45 23.195 27.948 17.433 1.00 0.00 C ATOM 723 CG PHE A 45 21.980 27.941 16.531 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.918 28.811 15.438 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.914 27.071 16.796 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.792 28.814 14.608 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.789 27.073 15.965 1.00 0.00 C ATOM 728 CZ PHE A 45 19.727 27.944 14.872 1.00 0.00 C ATOM 0 H PHE A 45 24.142 28.417 19.962 1.00 0.00 H new ATOM 0 HA PHE A 45 23.443 30.067 17.533 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.104 27.847 16.839 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.162 27.097 18.113 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.740 29.481 15.234 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.961 26.400 17.641 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.744 29.487 13.764 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.968 26.402 16.167 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.857 27.945 14.232 1.00 0.00 H new ATOM 738 N ALA A 46 21.087 30.378 18.428 1.00 0.00 N ATOM 739 CA ALA A 46 19.786 30.636 19.095 1.00 0.00 C ATOM 740 C ALA A 46 20.038 30.847 20.592 1.00 0.00 C ATOM 741 O ALA A 46 20.649 31.819 20.992 1.00 0.00 O ATOM 742 CB ALA A 46 18.858 29.441 18.877 1.00 0.00 C ATOM 0 H ALA A 46 21.275 30.943 17.600 1.00 0.00 H new ATOM 0 HA ALA A 46 19.314 31.525 18.677 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.902 29.629 19.366 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.697 29.296 17.809 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.313 28.545 19.300 1.00 0.00 H new ATOM 748 N GLY A 47 19.566 29.952 21.424 1.00 0.00 N ATOM 749 CA GLY A 47 19.766 30.093 22.901 1.00 0.00 C ATOM 750 C GLY A 47 20.406 28.822 23.464 1.00 0.00 C ATOM 751 O GLY A 47 20.243 28.511 24.629 1.00 0.00 O ATOM 0 H GLY A 47 19.046 29.122 21.141 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.401 30.954 23.110 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.809 30.276 23.390 1.00 0.00 H new ATOM 755 N LYS A 48 21.154 28.093 22.660 1.00 0.00 N ATOM 756 CA LYS A 48 21.830 26.848 23.165 1.00 0.00 C ATOM 757 C LYS A 48 23.317 26.940 22.888 1.00 0.00 C ATOM 758 O LYS A 48 23.758 27.545 21.931 1.00 0.00 O ATOM 759 CB LYS A 48 21.297 25.573 22.467 1.00 0.00 C ATOM 760 CG LYS A 48 19.938 25.163 23.057 1.00 0.00 C ATOM 761 CD LYS A 48 18.804 25.905 22.340 1.00 0.00 C ATOM 762 CE LYS A 48 17.472 25.598 23.030 1.00 0.00 C ATOM 763 NZ LYS A 48 17.478 26.178 24.402 1.00 0.00 N ATOM 0 H LYS A 48 21.325 28.307 21.677 1.00 0.00 H new ATOM 0 HA LYS A 48 21.623 26.776 24.233 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.196 25.753 21.397 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.012 24.760 22.587 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.799 24.087 22.956 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.913 25.389 24.123 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.993 26.978 22.353 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.762 25.602 21.294 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.647 26.013 22.452 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.316 24.520 23.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.499 26.307 24.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.976 25.534 25.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.963 27.098 24.388 1.00 0.00 H new ATOM 777 N GLN A 49 24.090 26.311 23.718 1.00 0.00 N ATOM 778 CA GLN A 49 25.561 26.310 23.523 1.00 0.00 C ATOM 779 C GLN A 49 25.927 25.097 22.682 1.00 0.00 C ATOM 780 O GLN A 49 25.764 23.968 23.100 1.00 0.00 O ATOM 781 CB GLN A 49 26.263 26.230 24.869 1.00 0.00 C ATOM 782 CG GLN A 49 25.619 27.226 25.829 1.00 0.00 C ATOM 783 CD GLN A 49 26.362 27.207 27.167 1.00 0.00 C ATOM 784 OE1 GLN A 49 26.038 26.429 28.042 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.350 28.036 27.364 1.00 0.00 N ATOM 0 H GLN A 49 23.763 25.791 24.533 1.00 0.00 H new ATOM 0 HA GLN A 49 25.873 27.227 23.023 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.190 25.220 25.271 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.324 26.452 24.753 1.00 0.00 H new ATOM 0 HG2 GLN A 49 25.646 28.228 25.401 1.00 0.00 H new ATOM 0 HG3 GLN A 49 24.570 26.973 25.981 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.622 28.689 26.629 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.851 28.031 28.253 1.00 0.00 H new ATOM 794 N LEU A 50 26.393 25.315 21.496 1.00 0.00 N ATOM 795 CA LEU A 50 26.738 24.162 20.619 1.00 0.00 C ATOM 796 C LEU A 50 27.723 23.242 21.342 1.00 0.00 C ATOM 797 O LEU A 50 28.793 23.656 21.741 1.00 0.00 O ATOM 798 CB LEU A 50 27.356 24.686 19.322 1.00 0.00 C ATOM 799 CG LEU A 50 26.349 25.593 18.596 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.015 26.196 17.354 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.105 24.783 18.176 1.00 0.00 C ATOM 0 H LEU A 50 26.552 26.237 21.090 1.00 0.00 H new ATOM 0 HA LEU A 50 25.838 23.594 20.384 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.268 25.242 19.541 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.638 23.852 18.679 1.00 0.00 H new ATOM 0 HG LEU A 50 26.036 26.390 19.270 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.304 26.840 16.836 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.883 26.782 17.655 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.332 25.395 16.686 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.401 25.438 17.663 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.405 23.977 17.506 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.630 24.361 19.061 1.00 0.00 H new ATOM 813 N GLU A 51 27.371 21.990 21.512 1.00 0.00 N ATOM 814 CA GLU A 51 28.287 21.042 22.209 1.00 0.00 C ATOM 815 C GLU A 51 29.211 20.380 21.187 1.00 0.00 C ATOM 816 O GLU A 51 29.045 20.523 19.994 1.00 0.00 O ATOM 817 CB GLU A 51 27.476 19.958 22.925 1.00 0.00 C ATOM 818 CG GLU A 51 26.436 20.605 23.841 1.00 0.00 C ATOM 819 CD GLU A 51 27.149 21.288 25.008 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.643 20.580 25.869 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.191 22.506 25.018 1.00 0.00 O ATOM 0 H GLU A 51 26.489 21.587 21.197 1.00 0.00 H new ATOM 0 HA GLU A 51 28.877 21.595 22.940 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.982 19.319 22.193 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.140 19.320 23.508 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.846 21.333 23.284 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.743 19.851 24.214 1.00 0.00 H new ATOM 828 N ASP A 52 30.186 19.659 21.654 1.00 0.00 N ATOM 829 CA ASP A 52 31.135 18.986 20.724 1.00 0.00 C ATOM 830 C ASP A 52 30.605 17.599 20.349 1.00 0.00 C ATOM 831 O ASP A 52 30.188 16.835 21.195 1.00 0.00 O ATOM 832 CB ASP A 52 32.489 18.833 21.424 1.00 0.00 C ATOM 833 CG ASP A 52 32.290 18.098 22.750 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.088 16.895 22.714 1.00 0.00 O ATOM 835 OD2 ASP A 52 32.338 18.751 23.779 1.00 0.00 O ATOM 0 H ASP A 52 30.370 19.504 22.645 1.00 0.00 H new ATOM 0 HA ASP A 52 31.242 19.585 19.820 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.180 18.280 20.788 1.00 0.00 H new ATOM 0 HB3 ASP A 52 32.933 19.813 21.601 1.00 0.00 H new ATOM 840 N GLY A 53 30.647 17.262 19.082 1.00 0.00 N ATOM 841 CA GLY A 53 30.186 15.906 18.639 1.00 0.00 C ATOM 842 C GLY A 53 28.764 15.946 18.079 1.00 0.00 C ATOM 843 O GLY A 53 28.358 15.045 17.369 1.00 0.00 O ATOM 0 H GLY A 53 30.981 17.869 18.333 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.866 15.521 17.879 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.226 15.215 19.481 1.00 0.00 H new ATOM 847 N ARG A 54 27.993 16.960 18.373 1.00 0.00 N ATOM 848 CA ARG A 54 26.600 16.998 17.828 1.00 0.00 C ATOM 849 C ARG A 54 26.644 17.472 16.377 1.00 0.00 C ATOM 850 O ARG A 54 27.605 18.076 15.955 1.00 0.00 O ATOM 851 CB ARG A 54 25.740 17.965 18.648 1.00 0.00 C ATOM 852 CG ARG A 54 25.785 17.556 20.129 1.00 0.00 C ATOM 853 CD ARG A 54 24.783 16.438 20.472 1.00 0.00 C ATOM 854 NE ARG A 54 25.515 15.291 21.100 1.00 0.00 N ATOM 855 CZ ARG A 54 24.869 14.466 21.896 1.00 0.00 C ATOM 856 NH1 ARG A 54 25.480 13.404 22.387 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.609 14.709 22.182 1.00 0.00 N ATOM 0 H ARG A 54 28.260 17.752 18.957 1.00 0.00 H new ATOM 0 HA ARG A 54 26.166 16.000 17.883 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.106 18.985 18.529 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.712 17.951 18.286 1.00 0.00 H new ATOM 0 HG2 ARG A 54 26.793 17.223 20.378 1.00 0.00 H new ATOM 0 HG3 ARG A 54 25.575 18.428 20.748 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.020 16.814 21.154 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.269 16.106 19.570 1.00 0.00 H new ATOM 0 HE ARG A 54 26.508 15.151 20.912 1.00 0.00 H new ATOM 0 HH11 ARG A 54 26.455 13.221 22.150 1.00 0.00 H new ATOM 0 HH12 ARG A 54 24.977 12.766 23.004 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.145 15.528 21.788 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.095 14.079 22.798 1.00 0.00 H new ATOM 871 N THR A 55 25.610 17.213 15.615 1.00 0.00 N ATOM 872 CA THR A 55 25.591 17.664 14.184 1.00 0.00 C ATOM 873 C THR A 55 24.704 18.908 14.058 1.00 0.00 C ATOM 874 O THR A 55 23.794 19.118 14.835 1.00 0.00 O ATOM 875 CB THR A 55 25.020 16.551 13.298 1.00 0.00 C ATOM 876 OG1 THR A 55 23.790 16.098 13.843 1.00 0.00 O ATOM 877 CG2 THR A 55 26.012 15.385 13.221 1.00 0.00 C ATOM 0 H THR A 55 24.777 16.709 15.920 1.00 0.00 H new ATOM 0 HA THR A 55 26.607 17.897 13.866 1.00 0.00 H new ATOM 0 HB THR A 55 24.851 16.941 12.294 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.423 15.388 13.276 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.600 14.598 12.590 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.953 15.735 12.796 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.190 14.992 14.222 1.00 0.00 H new ATOM 885 N LEU A 56 24.966 19.741 13.088 1.00 0.00 N ATOM 886 CA LEU A 56 24.141 20.975 12.926 1.00 0.00 C ATOM 887 C LEU A 56 22.662 20.584 12.801 1.00 0.00 C ATOM 888 O LEU A 56 21.790 21.249 13.325 1.00 0.00 O ATOM 889 CB LEU A 56 24.589 21.741 11.661 1.00 0.00 C ATOM 890 CG LEU A 56 25.696 22.745 12.005 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.958 21.997 12.432 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.005 23.596 10.771 1.00 0.00 C ATOM 0 H LEU A 56 25.712 19.623 12.403 1.00 0.00 H new ATOM 0 HA LEU A 56 24.274 21.618 13.796 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.949 21.037 10.911 1.00 0.00 H new ATOM 0 HB3 LEU A 56 23.738 22.264 11.225 1.00 0.00 H new ATOM 0 HG LEU A 56 25.363 23.385 12.822 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.742 22.715 12.675 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.740 21.387 13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.294 21.355 11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 56 26.792 24.312 11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.337 22.951 9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.107 24.133 10.465 1.00 0.00 H new ATOM 904 N SER A 57 22.372 19.519 12.109 1.00 0.00 N ATOM 905 CA SER A 57 20.950 19.098 11.950 1.00 0.00 C ATOM 906 C SER A 57 20.346 18.790 13.324 1.00 0.00 C ATOM 907 O SER A 57 19.143 18.733 13.486 1.00 0.00 O ATOM 908 CB SER A 57 20.884 17.847 11.073 1.00 0.00 C ATOM 909 OG SER A 57 21.383 18.156 9.778 1.00 0.00 O ATOM 0 H SER A 57 23.057 18.921 11.646 1.00 0.00 H new ATOM 0 HA SER A 57 20.386 19.904 11.480 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.471 17.044 11.520 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.856 17.491 11.004 1.00 0.00 H new ATOM 0 HG SER A 57 22.339 18.363 9.837 1.00 0.00 H new ATOM 915 N ASP A 58 21.173 18.583 14.310 1.00 0.00 N ATOM 916 CA ASP A 58 20.650 18.268 15.668 1.00 0.00 C ATOM 917 C ASP A 58 19.975 19.509 16.253 1.00 0.00 C ATOM 918 O ASP A 58 19.208 19.425 17.192 1.00 0.00 O ATOM 919 CB ASP A 58 21.804 17.834 16.575 1.00 0.00 C ATOM 920 CG ASP A 58 21.242 17.174 17.835 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.527 16.195 17.698 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.537 17.658 18.916 1.00 0.00 O ATOM 0 H ASP A 58 22.190 18.618 14.234 1.00 0.00 H new ATOM 0 HA ASP A 58 19.923 17.458 15.599 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.454 17.137 16.046 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.413 18.697 16.844 1.00 0.00 H new ATOM 927 N TYR A 59 20.271 20.663 15.711 1.00 0.00 N ATOM 928 CA TYR A 59 19.671 21.933 16.228 1.00 0.00 C ATOM 929 C TYR A 59 18.638 22.480 15.234 1.00 0.00 C ATOM 930 O TYR A 59 18.142 23.577 15.400 1.00 0.00 O ATOM 931 CB TYR A 59 20.793 22.966 16.414 1.00 0.00 C ATOM 932 CG TYR A 59 21.467 22.773 17.755 1.00 0.00 C ATOM 933 CD1 TYR A 59 22.800 22.346 17.820 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.758 23.035 18.933 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.423 22.190 19.065 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.380 22.874 20.175 1.00 0.00 C ATOM 937 CZ TYR A 59 22.711 22.449 20.242 1.00 0.00 C ATOM 938 OH TYR A 59 23.323 22.293 21.469 1.00 0.00 O ATOM 0 H TYR A 59 20.909 20.782 14.924 1.00 0.00 H new ATOM 0 HA TYR A 59 19.173 21.737 17.177 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.526 22.865 15.613 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.384 23.974 16.347 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.346 22.138 16.912 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.730 23.362 18.883 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.453 21.870 19.117 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.832 23.078 21.083 1.00 0.00 H new ATOM 0 HH TYR A 59 22.688 22.515 22.182 1.00 0.00 H new ATOM 948 N ASN A 60 18.302 21.749 14.206 1.00 0.00 N ATOM 949 CA ASN A 60 17.300 22.273 13.233 1.00 0.00 C ATOM 950 C ASN A 60 17.701 23.685 12.794 1.00 0.00 C ATOM 951 O ASN A 60 16.892 24.590 12.767 1.00 0.00 O ATOM 952 CB ASN A 60 15.921 22.314 13.893 1.00 0.00 C ATOM 953 CG ASN A 60 14.878 22.773 12.872 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.800 22.239 11.784 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.068 23.750 13.180 1.00 0.00 N ATOM 0 H ASN A 60 18.673 20.822 13.998 1.00 0.00 H new ATOM 0 HA ASN A 60 17.265 21.620 12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.660 21.327 14.276 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.934 22.993 14.745 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.369 24.065 12.507 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.134 24.198 14.094 1.00 0.00 H new ATOM 962 N ILE A 61 18.945 23.877 12.447 1.00 0.00 N ATOM 963 CA ILE A 61 19.404 25.226 12.006 1.00 0.00 C ATOM 964 C ILE A 61 18.849 25.510 10.603 1.00 0.00 C ATOM 965 O ILE A 61 18.239 24.657 9.989 1.00 0.00 O ATOM 966 CB ILE A 61 20.940 25.245 12.000 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.437 25.107 13.442 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.460 26.561 11.409 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.930 24.778 13.442 1.00 0.00 C ATOM 0 H ILE A 61 19.666 23.155 12.450 1.00 0.00 H new ATOM 0 HA ILE A 61 19.043 25.998 12.685 1.00 0.00 H new ATOM 0 HB ILE A 61 21.307 24.420 11.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.259 26.033 13.989 1.00 0.00 H new ATOM 0 HG13 ILE A 61 20.882 24.322 13.955 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.550 26.556 11.413 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.101 26.667 10.385 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.099 27.397 12.008 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.281 24.680 14.469 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.096 23.841 12.911 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.479 25.578 12.946 1.00 0.00 H new ATOM 981 N GLN A 62 19.048 26.705 10.096 1.00 0.00 N ATOM 982 CA GLN A 62 18.527 27.057 8.735 1.00 0.00 C ATOM 983 C GLN A 62 19.627 27.751 7.923 1.00 0.00 C ATOM 984 O GLN A 62 20.365 28.579 8.422 1.00 0.00 O ATOM 985 CB GLN A 62 17.323 27.987 8.888 1.00 0.00 C ATOM 986 CG GLN A 62 16.277 27.308 9.776 1.00 0.00 C ATOM 987 CD GLN A 62 15.013 28.168 9.839 1.00 0.00 C ATOM 988 OE1 GLN A 62 14.453 28.521 8.821 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.536 28.517 11.002 1.00 0.00 N ATOM 0 H GLN A 62 19.552 27.455 10.569 1.00 0.00 H new ATOM 0 HA GLN A 62 18.223 26.151 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.633 28.934 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.897 28.214 7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.037 26.321 9.381 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.678 27.161 10.779 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.007 28.220 11.856 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.692 29.087 11.057 1.00 0.00 H new ATOM 998 N LYS A 63 19.749 27.404 6.673 1.00 0.00 N ATOM 999 CA LYS A 63 20.805 28.021 5.822 1.00 0.00 C ATOM 1000 C LYS A 63 20.722 29.549 5.887 1.00 0.00 C ATOM 1001 O LYS A 63 19.669 30.116 6.093 1.00 0.00 O ATOM 1002 CB LYS A 63 20.623 27.560 4.373 1.00 0.00 C ATOM 1003 CG LYS A 63 19.222 27.934 3.880 1.00 0.00 C ATOM 1004 CD LYS A 63 19.025 27.394 2.460 1.00 0.00 C ATOM 1005 CE LYS A 63 17.713 27.932 1.880 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.569 27.445 2.701 1.00 0.00 N ATOM 0 H LYS A 63 19.161 26.717 6.202 1.00 0.00 H new ATOM 0 HA LYS A 63 21.782 27.708 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.378 28.023 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.767 26.482 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.466 27.520 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.097 29.017 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.862 27.691 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.008 26.304 2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.728 29.022 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.598 27.604 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.678 27.620 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.675 26.425 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.554 27.950 3.610 1.00 0.00 H new ATOM 1020 N GLU A 64 21.841 30.206 5.713 1.00 0.00 N ATOM 1021 CA GLU A 64 21.885 31.699 5.749 1.00 0.00 C ATOM 1022 C GLU A 64 21.543 32.221 7.148 1.00 0.00 C ATOM 1023 O GLU A 64 21.354 33.404 7.341 1.00 0.00 O ATOM 1024 CB GLU A 64 20.916 32.286 4.717 1.00 0.00 C ATOM 1025 CG GLU A 64 21.130 31.589 3.371 1.00 0.00 C ATOM 1026 CD GLU A 64 20.227 32.227 2.314 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.626 33.245 2.612 1.00 0.00 O ATOM 1028 OE2 GLU A 64 20.152 31.685 1.223 1.00 0.00 O ATOM 0 H GLU A 64 22.743 29.761 5.544 1.00 0.00 H new ATOM 0 HA GLU A 64 22.899 32.015 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.887 32.152 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.081 33.359 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.174 31.671 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.907 30.526 3.461 1.00 0.00 H new HETATM 1035 N SEP A 65 21.496 31.366 8.135 1.00 0.00 N HETATM 1036 CA SEP A 65 21.202 31.853 9.513 1.00 0.00 C HETATM 1037 CB SEP A 65 20.725 30.688 10.383 1.00 0.00 C HETATM 1038 OG SEP A 65 19.365 30.402 10.079 1.00 0.00 O HETATM 1039 C SEP A 65 22.491 32.440 10.097 1.00 0.00 C HETATM 1040 O SEP A 65 23.577 32.126 9.639 1.00 0.00 O HETATM 1041 P SEP A 65 18.240 31.219 10.735 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.952 32.452 11.390 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.276 31.612 9.563 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.584 30.255 11.781 1.00 0.00 O HETATM 0 HB3 SEP A 65 21.343 29.808 10.204 1.00 0.00 H new HETATM 0 HB2 SEP A 65 20.829 30.941 11.438 1.00 0.00 H new HETATM 0 HA SEP A 65 20.420 32.612 9.486 1.00 0.00 H new HETATM 0 H SEP A 65 21.367 30.381 7.904 1.00 0.00 H new HETATM 1049 N TPO A 66 22.391 33.301 11.086 1.00 0.00 N HETATM 1050 CA TPO A 66 23.625 33.915 11.680 1.00 0.00 C HETATM 1051 CB TPO A 66 23.454 35.429 11.819 1.00 0.00 C HETATM 1052 CG2 TPO A 66 22.961 36.024 10.504 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.520 35.712 12.855 1.00 0.00 O HETATM 1054 P TPO A 66 22.606 37.037 13.634 1.00 0.00 P HETATM 1055 O1P TPO A 66 22.201 38.150 12.608 1.00 0.00 O HETATM 1056 O2P TPO A 66 21.592 36.886 14.819 1.00 0.00 O HETATM 1057 O3P TPO A 66 24.098 37.145 14.106 1.00 0.00 O HETATM 1058 C TPO A 66 23.905 33.332 13.064 1.00 0.00 C HETATM 1059 O TPO A 66 23.054 33.316 13.931 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.686 35.817 9.717 1.00 0.00 H new HETATM 0 HG22 TPO A 66 22.002 35.579 10.240 1.00 0.00 H new HETATM 0 HG21 TPO A 66 22.843 37.102 10.614 1.00 0.00 H new HETATM 0 HB TPO A 66 24.417 35.874 12.069 1.00 0.00 H new HETATM 0 HA TPO A 66 24.458 33.694 11.013 1.00 0.00 H new HETATM 0 H TPO A 66 21.596 33.891 10.840 1.00 0.00 H new ATOM 1066 N LEU A 67 25.108 32.867 13.278 1.00 0.00 N ATOM 1067 CA LEU A 67 25.482 32.298 14.606 1.00 0.00 C ATOM 1068 C LEU A 67 26.162 33.395 15.431 1.00 0.00 C ATOM 1069 O LEU A 67 26.902 34.205 14.907 1.00 0.00 O ATOM 1070 CB LEU A 67 26.464 31.133 14.401 1.00 0.00 C ATOM 1071 CG LEU A 67 25.696 29.857 14.048 1.00 0.00 C ATOM 1072 CD1 LEU A 67 24.868 30.090 12.784 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.691 28.720 13.805 1.00 0.00 C ATOM 0 H LEU A 67 25.854 32.857 12.583 1.00 0.00 H new ATOM 0 HA LEU A 67 24.594 31.935 15.123 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.168 31.376 13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.049 30.976 15.307 1.00 0.00 H new ATOM 0 HG LEU A 67 25.031 29.592 14.870 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.322 29.180 12.534 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.161 30.902 12.956 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.530 30.354 11.959 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.148 27.809 13.553 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.354 28.986 12.982 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.281 28.554 14.707 1.00 0.00 H new ATOM 1085 N HIS A 68 25.930 33.420 16.717 1.00 0.00 N ATOM 1086 CA HIS A 68 26.575 34.456 17.577 1.00 0.00 C ATOM 1087 C HIS A 68 27.866 33.883 18.141 1.00 0.00 C ATOM 1088 O HIS A 68 27.882 32.788 18.671 1.00 0.00 O ATOM 1089 CB HIS A 68 25.652 34.810 18.741 1.00 0.00 C ATOM 1090 CG HIS A 68 24.248 35.003 18.231 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.313 33.977 18.222 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.608 36.099 17.706 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.172 34.473 17.707 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.301 35.760 17.378 1.00 0.00 N ATOM 0 H HIS A 68 25.321 32.767 17.210 1.00 0.00 H new ATOM 0 HA HIS A 68 26.775 35.349 16.984 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.672 34.017 19.489 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.000 35.719 19.231 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.052 37.074 17.569 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.265 33.901 17.576 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.590 36.367 16.971 1.00 0.00 H new ATOM 1103 N LEU A 69 28.949 34.604 18.037 1.00 0.00 N ATOM 1104 CA LEU A 69 30.247 34.090 18.572 1.00 0.00 C ATOM 1105 C LEU A 69 30.625 34.849 19.843 1.00 0.00 C ATOM 1106 O LEU A 69 30.818 36.048 19.828 1.00 0.00 O ATOM 1107 CB LEU A 69 31.343 34.273 17.510 1.00 0.00 C ATOM 1108 CG LEU A 69 32.695 33.695 18.019 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.418 32.966 16.880 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.602 34.825 18.534 1.00 0.00 C ATOM 0 H LEU A 69 28.993 35.527 17.605 1.00 0.00 H new ATOM 0 HA LEU A 69 30.145 33.031 18.811 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.051 33.772 16.587 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.458 35.331 17.276 1.00 0.00 H new ATOM 0 HG LEU A 69 32.483 32.999 18.830 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.363 32.565 17.247 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.794 32.149 16.517 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.612 33.665 16.066 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.544 34.404 18.886 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.799 35.530 17.726 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.107 35.344 19.355 1.00 0.00 H new ATOM 1122 N VAL A 70 30.737 34.149 20.945 1.00 0.00 N ATOM 1123 CA VAL A 70 31.111 34.804 22.236 1.00 0.00 C ATOM 1124 C VAL A 70 32.560 34.465 22.560 1.00 0.00 C ATOM 1125 O VAL A 70 33.037 33.395 22.247 1.00 0.00 O ATOM 1126 CB VAL A 70 30.219 34.273 23.348 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.620 34.923 24.673 1.00 0.00 C ATOM 1128 CG2 VAL A 70 28.763 34.610 23.032 1.00 0.00 C ATOM 0 H VAL A 70 30.584 33.142 21.005 1.00 0.00 H new ATOM 0 HA VAL A 70 30.988 35.884 22.150 1.00 0.00 H new ATOM 0 HB VAL A 70 30.333 33.192 23.426 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.982 34.544 25.472 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.660 34.685 24.895 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.504 36.004 24.598 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.121 34.231 23.827 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.648 35.691 22.957 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.480 34.149 22.086 1.00 0.00 H new ATOM 1138 N LEU A 71 33.273 35.361 23.184 1.00 0.00 N ATOM 1139 CA LEU A 71 34.697 35.069 23.513 1.00 0.00 C ATOM 1140 C LEU A 71 34.762 34.267 24.806 1.00 0.00 C ATOM 1141 O LEU A 71 34.685 33.055 24.802 1.00 0.00 O ATOM 1142 CB LEU A 71 35.465 36.382 23.673 1.00 0.00 C ATOM 1143 CG LEU A 71 35.776 36.968 22.288 1.00 0.00 C ATOM 1144 CD1 LEU A 71 34.492 37.049 21.454 1.00 0.00 C ATOM 1145 CD2 LEU A 71 36.366 38.374 22.443 1.00 0.00 C ATOM 0 H LEU A 71 32.935 36.277 23.479 1.00 0.00 H new ATOM 0 HA LEU A 71 35.148 34.489 22.708 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.876 37.091 24.255 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.390 36.209 24.222 1.00 0.00 H new ATOM 0 HG LEU A 71 36.495 36.322 21.784 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.721 37.466 20.473 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.072 36.050 21.335 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.769 37.689 21.960 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.586 38.787 21.458 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.648 39.016 22.954 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.285 38.321 23.027 1.00 0.00 H new ATOM 1157 N ARG A 72 34.905 34.922 25.916 1.00 0.00 N ATOM 1158 CA ARG A 72 34.974 34.167 27.199 1.00 0.00 C ATOM 1159 C ARG A 72 34.651 35.103 28.368 1.00 0.00 C ATOM 1160 O ARG A 72 33.525 35.186 28.810 1.00 0.00 O ATOM 1161 CB ARG A 72 36.395 33.587 27.346 1.00 0.00 C ATOM 1162 CG ARG A 72 36.498 32.684 28.597 1.00 0.00 C ATOM 1163 CD ARG A 72 37.599 31.596 28.472 1.00 0.00 C ATOM 1164 NE ARG A 72 38.699 31.838 29.494 1.00 0.00 N ATOM 1165 CZ ARG A 72 39.281 30.824 30.121 1.00 0.00 C ATOM 1166 NH1 ARG A 72 40.365 31.027 30.844 1.00 0.00 N ATOM 1167 NH2 ARG A 72 38.737 29.631 30.090 1.00 0.00 N ATOM 0 H ARG A 72 34.977 35.936 25.996 1.00 0.00 H new ATOM 0 HA ARG A 72 34.247 33.355 27.202 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.651 33.012 26.456 1.00 0.00 H new ATOM 0 HB3 ARG A 72 37.118 34.400 27.419 1.00 0.00 H new ATOM 0 HG2 ARG A 72 36.705 33.304 29.469 1.00 0.00 H new ATOM 0 HG3 ARG A 72 35.536 32.201 28.770 1.00 0.00 H new ATOM 0 HD2 ARG A 72 37.163 30.609 28.624 1.00 0.00 H new ATOM 0 HD3 ARG A 72 38.019 31.608 27.466 1.00 0.00 H new ATOM 0 HE ARG A 72 38.993 32.793 29.700 1.00 0.00 H new ATOM 0 HH11 ARG A 72 40.758 31.965 30.922 1.00 0.00 H new ATOM 0 HH12 ARG A 72 40.811 30.246 31.325 1.00 0.00 H new ATOM 0 HH21 ARG A 72 37.865 29.481 29.583 1.00 0.00 H new ATOM 0 HH22 ARG A 72 39.186 28.853 30.573 1.00 0.00 H new ATOM 1181 N LEU A 73 35.620 35.818 28.860 1.00 0.00 N ATOM 1182 CA LEU A 73 35.354 36.753 29.989 1.00 0.00 C ATOM 1183 C LEU A 73 34.565 36.036 31.112 1.00 0.00 C ATOM 1184 O LEU A 73 33.594 36.562 31.623 1.00 0.00 O ATOM 1185 CB LEU A 73 34.537 37.949 29.461 1.00 0.00 C ATOM 1186 CG LEU A 73 35.459 38.940 28.726 1.00 0.00 C ATOM 1187 CD1 LEU A 73 36.097 38.254 27.513 1.00 0.00 C ATOM 1188 CD2 LEU A 73 34.642 40.150 28.248 1.00 0.00 C ATOM 0 H LEU A 73 36.585 35.797 28.531 1.00 0.00 H new ATOM 0 HA LEU A 73 36.301 37.099 30.402 1.00 0.00 H new ATOM 0 HB2 LEU A 73 33.758 37.596 28.785 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.037 38.452 30.289 1.00 0.00 H new ATOM 0 HG LEU A 73 36.240 39.272 29.410 1.00 0.00 H new ATOM 0 HD11 LEU A 73 36.748 38.959 26.997 1.00 0.00 H new ATOM 0 HD12 LEU A 73 36.682 37.397 27.846 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.315 37.917 26.832 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.297 40.849 27.728 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.858 39.814 27.569 1.00 0.00 H new ATOM 0 HD23 LEU A 73 34.190 40.646 29.107 1.00 0.00 H new ATOM 1200 N ARG A 74 34.972 34.845 31.522 1.00 0.00 N ATOM 1201 CA ARG A 74 34.227 34.146 32.622 1.00 0.00 C ATOM 1202 C ARG A 74 34.528 34.871 33.936 1.00 0.00 C ATOM 1203 O ARG A 74 35.663 34.944 34.371 1.00 0.00 O ATOM 1204 CB ARG A 74 34.666 32.666 32.757 1.00 0.00 C ATOM 1205 CG ARG A 74 34.601 31.935 31.388 1.00 0.00 C ATOM 1206 CD ARG A 74 33.347 30.998 31.213 1.00 0.00 C ATOM 1207 NE ARG A 74 32.393 30.959 32.415 1.00 0.00 N ATOM 1208 CZ ARG A 74 31.845 29.807 32.791 1.00 0.00 C ATOM 1209 NH1 ARG A 74 30.800 29.791 33.586 1.00 0.00 N ATOM 1210 NH2 ARG A 74 32.403 28.685 32.425 1.00 0.00 N ATOM 0 H ARG A 74 35.774 34.339 31.146 1.00 0.00 H new ATOM 0 HA ARG A 74 33.162 34.163 32.390 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.682 32.619 33.150 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.023 32.157 33.475 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.598 32.679 30.592 1.00 0.00 H new ATOM 0 HG3 ARG A 74 35.505 31.339 31.264 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.788 31.324 30.336 1.00 0.00 H new ATOM 0 HD3 ARG A 74 33.695 29.985 31.011 1.00 0.00 H new ATOM 0 HE ARG A 74 32.180 31.816 32.925 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.401 30.668 33.921 1.00 0.00 H new ATOM 0 HH12 ARG A 74 30.387 28.902 33.868 1.00 0.00 H new ATOM 0 HH21 ARG A 74 33.250 28.698 31.857 1.00 0.00 H new ATOM 0 HH22 ARG A 74 31.992 27.795 32.707 1.00 0.00 H new ATOM 1224 N GLY A 75 33.527 35.406 34.565 1.00 0.00 N ATOM 1225 CA GLY A 75 33.751 36.122 35.845 1.00 0.00 C ATOM 1226 C GLY A 75 32.484 36.888 36.220 1.00 0.00 C ATOM 1227 O GLY A 75 31.658 36.415 36.974 1.00 0.00 O ATOM 0 H GLY A 75 32.558 35.379 34.247 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.008 35.413 36.632 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.591 36.810 35.749 1.00 0.00 H new ATOM 1231 N GLY A 76 32.323 38.069 35.694 1.00 0.00 N ATOM 1232 CA GLY A 76 31.111 38.871 36.019 1.00 0.00 C ATOM 1233 C GLY A 76 31.338 40.324 35.602 1.00 0.00 C ATOM 1234 O GLY A 76 32.305 40.908 36.065 1.00 0.00 O ATOM 1235 OXT GLY A 76 30.547 40.828 34.823 1.00 0.00 O ATOM 0 H GLY A 76 32.979 38.514 35.052 1.00 0.00 H new ATOM 0 HA2 GLY A 76 30.242 38.464 35.502 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.900 38.816 37.087 1.00 0.00 H new TER 1239 GLY A 76