USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 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 83 ASN : amide:sc= 0.778 K(o=1.7,f=-1.3) USER MOD Set 1.2: A 84 THR OG1 : rot 89:sc= 0.929 USER MOD Set 2.1: A 10 LYS NZ :NH3+ 165:sc= -2.8! (180deg=-2.47!) USER MOD Set 2.2: A 13 HIS : no HD1:sc= -0.249 X(o=-3,f=-3.2) USER MOD Single : A 1 ARG N :NH3+ 133:sc= 0.0596 (180deg=-0.0472) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -5.13! C(o=-8.6!,f=-5.1!) USER MOD Single : A 14 ASN : amide:sc= 0.0799 X(o=0.08,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -161:sc= -0.0463 (180deg=-0.367) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= 0.0315 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.204 F(o=-0.75,f=-0.2) USER MOD Single : A 31 ASN : amide:sc= -6.45! C(o=-6.4!,f=-8.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0745 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= -0.27 (180deg=-2.07) USER MOD Single : A 42 ASN : amide:sc= -0.0145 K(o=-0.015,f=-1.2) USER MOD Single : A 43 THR OG1 : rot 32:sc= -0.597 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.46) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-2.9!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0645) USER MOD Single : A 63 GLN : amide:sc= -0.246 K(o=-0.25,f=-0.94) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.00745 X(o=-0.0074,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -3.3! C(o=-3.3!,f=-8.1!) USER MOD Single : A 81 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 23:sc= 0.898 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 105.236 13.831 15.652 1.00 0.00 N ATOM 2 CA ARG A 1 104.147 13.827 16.613 1.00 0.00 C ATOM 3 C ARG A 1 103.108 12.768 16.234 1.00 0.00 C ATOM 4 O ARG A 1 102.904 12.488 15.054 1.00 0.00 O ATOM 5 CB ARG A 1 103.467 15.196 16.682 1.00 0.00 C ATOM 6 CG ARG A 1 102.893 15.592 15.320 1.00 0.00 C ATOM 7 CD ARG A 1 101.888 16.737 15.461 1.00 0.00 C ATOM 8 NE ARG A 1 101.320 17.078 14.137 1.00 0.00 N ATOM 9 CZ ARG A 1 102.002 17.718 13.163 1.00 0.00 C ATOM 10 NH1 ARG A 1 103.285 18.092 13.357 1.00 0.00 N ATOM 11 NH2 ARG A 1 101.396 17.972 12.018 1.00 0.00 N ATOM 0 H1 ARG A 1 105.444 14.809 15.367 1.00 0.00 H new ATOM 0 H2 ARG A 1 106.082 13.409 16.085 1.00 0.00 H new ATOM 0 H3 ARG A 1 104.962 13.278 14.815 1.00 0.00 H new ATOM 0 HA ARG A 1 104.569 13.594 17.591 1.00 0.00 H new ATOM 0 HB2 ARG A 1 102.669 15.173 17.424 1.00 0.00 H new ATOM 0 HB3 ARG A 1 104.186 15.947 17.010 1.00 0.00 H new ATOM 0 HG2 ARG A 1 103.702 15.893 14.654 1.00 0.00 H new ATOM 0 HG3 ARG A 1 102.407 14.731 14.862 1.00 0.00 H new ATOM 0 HD2 ARG A 1 101.090 16.449 16.145 1.00 0.00 H new ATOM 0 HD3 ARG A 1 102.377 17.610 15.892 1.00 0.00 H new ATOM 0 HE ARG A 1 100.353 16.813 13.949 1.00 0.00 H new ATOM 0 HH11 ARG A 1 103.746 17.891 14.244 1.00 0.00 H new ATOM 0 HH12 ARG A 1 103.793 18.575 12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 1 100.427 17.686 11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 1 101.897 18.455 11.272 1.00 0.00 H new ATOM 24 N LYS A 2 102.480 12.210 17.258 1.00 0.00 N ATOM 25 CA LYS A 2 101.468 11.188 17.047 1.00 0.00 C ATOM 26 C LYS A 2 100.134 11.859 16.714 1.00 0.00 C ATOM 27 O LYS A 2 99.995 13.074 16.848 1.00 0.00 O ATOM 28 CB LYS A 2 101.399 10.246 18.251 1.00 0.00 C ATOM 29 CG LYS A 2 101.615 8.793 17.823 1.00 0.00 C ATOM 30 CD LYS A 2 102.092 7.940 19.000 1.00 0.00 C ATOM 31 CE LYS A 2 103.318 7.110 18.613 1.00 0.00 C ATOM 32 NZ LYS A 2 103.296 5.801 19.305 1.00 0.00 N ATOM 0 H LYS A 2 102.652 12.446 18.235 1.00 0.00 H new ATOM 0 HA LYS A 2 101.731 10.561 16.195 1.00 0.00 H new ATOM 0 HB2 LYS A 2 102.155 10.530 18.983 1.00 0.00 H new ATOM 0 HB3 LYS A 2 100.430 10.345 18.740 1.00 0.00 H new ATOM 0 HG2 LYS A 2 100.685 8.385 17.427 1.00 0.00 H new ATOM 0 HG3 LYS A 2 102.349 8.752 17.019 1.00 0.00 H new ATOM 0 HD2 LYS A 2 102.336 8.584 19.845 1.00 0.00 H new ATOM 0 HD3 LYS A 2 101.288 7.279 19.324 1.00 0.00 H new ATOM 0 HE2 LYS A 2 103.336 6.958 17.534 1.00 0.00 H new ATOM 0 HE3 LYS A 2 104.228 7.651 18.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 104.135 5.250 19.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 103.301 5.952 20.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 102.437 5.280 19.036 1.00 0.00 H new ATOM 45 N LEU A 3 99.186 11.039 16.287 1.00 0.00 N ATOM 46 CA LEU A 3 97.867 11.537 15.933 1.00 0.00 C ATOM 47 C LEU A 3 96.853 11.071 16.979 1.00 0.00 C ATOM 48 O LEU A 3 97.166 10.232 17.822 1.00 0.00 O ATOM 49 CB LEU A 3 97.507 11.131 14.503 1.00 0.00 C ATOM 50 CG LEU A 3 98.324 11.792 13.391 1.00 0.00 C ATOM 51 CD1 LEU A 3 98.823 10.753 12.386 1.00 0.00 C ATOM 52 CD2 LEU A 3 97.527 12.908 12.714 1.00 0.00 C ATOM 0 H LEU A 3 99.305 10.032 16.178 1.00 0.00 H new ATOM 0 HA LEU A 3 97.856 12.627 15.942 1.00 0.00 H new ATOM 0 HB2 LEU A 3 97.618 10.050 14.415 1.00 0.00 H new ATOM 0 HB3 LEU A 3 96.454 11.358 14.337 1.00 0.00 H new ATOM 0 HG LEU A 3 99.203 12.253 13.841 1.00 0.00 H new ATOM 0 HD11 LEU A 3 99.401 11.249 11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 3 99.453 10.026 12.897 1.00 0.00 H new ATOM 0 HD13 LEU A 3 97.971 10.243 11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 3 98.131 13.361 11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 3 96.617 12.493 12.280 1.00 0.00 H new ATOM 0 HD23 LEU A 3 97.264 13.666 13.452 1.00 0.00 H new ATOM 64 N GLU A 4 95.658 11.636 16.891 1.00 0.00 N ATOM 65 CA GLU A 4 94.596 11.289 17.820 1.00 0.00 C ATOM 66 C GLU A 4 93.241 11.741 17.270 1.00 0.00 C ATOM 67 O GLU A 4 93.158 12.745 16.564 1.00 0.00 O ATOM 68 CB GLU A 4 94.856 11.893 19.201 1.00 0.00 C ATOM 69 CG GLU A 4 95.351 10.826 20.181 1.00 0.00 C ATOM 70 CD GLU A 4 95.198 11.299 21.628 1.00 0.00 C ATOM 71 OE1 GLU A 4 95.386 12.490 21.915 1.00 0.00 O ATOM 72 OE2 GLU A 4 94.870 10.378 22.470 1.00 0.00 O ATOM 0 H GLU A 4 95.402 12.332 16.191 1.00 0.00 H new ATOM 0 HA GLU A 4 94.578 10.205 17.932 1.00 0.00 H new ATOM 0 HB2 GLU A 4 95.596 12.689 19.120 1.00 0.00 H new ATOM 0 HB3 GLU A 4 93.941 12.346 19.582 1.00 0.00 H new ATOM 0 HG2 GLU A 4 94.789 9.904 20.035 1.00 0.00 H new ATOM 0 HG3 GLU A 4 96.397 10.597 19.978 1.00 0.00 H new ATOM 80 N LEU A 5 92.214 10.979 17.614 1.00 0.00 N ATOM 81 CA LEU A 5 90.868 11.288 17.165 1.00 0.00 C ATOM 82 C LEU A 5 90.842 11.327 15.635 1.00 0.00 C ATOM 83 O LEU A 5 91.891 11.377 14.994 1.00 0.00 O ATOM 84 CB LEU A 5 90.367 12.576 17.820 1.00 0.00 C ATOM 85 CG LEU A 5 88.853 12.799 17.793 1.00 0.00 C ATOM 86 CD1 LEU A 5 88.320 13.122 19.190 1.00 0.00 C ATOM 87 CD2 LEU A 5 88.475 13.874 16.772 1.00 0.00 C ATOM 0 H LEU A 5 92.287 10.147 18.199 1.00 0.00 H new ATOM 0 HA LEU A 5 90.174 10.508 17.477 1.00 0.00 H new ATOM 0 HB2 LEU A 5 90.697 12.584 18.859 1.00 0.00 H new ATOM 0 HB3 LEU A 5 90.847 13.421 17.327 1.00 0.00 H new ATOM 0 HG LEU A 5 88.377 11.871 17.475 1.00 0.00 H new ATOM 0 HD11 LEU A 5 87.242 13.276 19.142 1.00 0.00 H new ATOM 0 HD12 LEU A 5 88.538 12.293 19.863 1.00 0.00 H new ATOM 0 HD13 LEU A 5 88.799 14.028 19.562 1.00 0.00 H new ATOM 0 HD21 LEU A 5 87.394 14.013 16.773 1.00 0.00 H new ATOM 0 HD22 LEU A 5 88.962 14.813 17.035 1.00 0.00 H new ATOM 0 HD23 LEU A 5 88.800 13.563 15.779 1.00 0.00 H new ATOM 99 N THR A 6 89.632 11.302 15.095 1.00 0.00 N ATOM 100 CA THR A 6 89.456 11.334 13.653 1.00 0.00 C ATOM 101 C THR A 6 88.023 11.735 13.299 1.00 0.00 C ATOM 102 O THR A 6 87.149 10.879 13.171 1.00 0.00 O ATOM 103 CB THR A 6 89.859 9.966 13.097 1.00 0.00 C ATOM 104 OG1 THR A 6 89.616 10.075 11.697 1.00 0.00 O ATOM 105 CG2 THR A 6 88.919 8.849 13.554 1.00 0.00 C ATOM 0 H THR A 6 88.765 11.260 15.630 1.00 0.00 H new ATOM 0 HA THR A 6 90.094 12.089 13.194 1.00 0.00 H new ATOM 0 HB THR A 6 90.877 9.733 13.408 1.00 0.00 H new ATOM 0 HG1 THR A 6 89.852 9.232 11.257 1.00 0.00 H new ATOM 0 HG21 THR A 6 89.249 7.900 13.132 1.00 0.00 H new ATOM 0 HG22 THR A 6 88.931 8.786 14.642 1.00 0.00 H new ATOM 0 HG23 THR A 6 87.906 9.064 13.214 1.00 0.00 H new ATOM 113 N LYS A 7 87.826 13.037 13.152 1.00 0.00 N ATOM 114 CA LYS A 7 86.513 13.562 12.816 1.00 0.00 C ATOM 115 C LYS A 7 85.442 12.560 13.250 1.00 0.00 C ATOM 116 O LYS A 7 85.040 12.541 14.413 1.00 0.00 O ATOM 117 CB LYS A 7 86.447 13.928 11.332 1.00 0.00 C ATOM 118 CG LYS A 7 87.629 14.814 10.932 1.00 0.00 C ATOM 119 CD LYS A 7 87.158 16.223 10.566 1.00 0.00 C ATOM 120 CE LYS A 7 86.742 16.298 9.096 1.00 0.00 C ATOM 121 NZ LYS A 7 86.227 17.646 8.771 1.00 0.00 N ATOM 0 H LYS A 7 88.553 13.744 13.259 1.00 0.00 H new ATOM 0 HA LYS A 7 86.322 14.488 13.358 1.00 0.00 H new ATOM 0 HB2 LYS A 7 86.449 13.020 10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 7 85.512 14.447 11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.343 14.867 11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 7 88.151 14.370 10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 7 86.318 16.505 11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.957 16.939 10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.595 16.065 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.976 15.550 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.949 17.679 7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.400 17.855 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.969 18.353 8.948 1.00 0.00 H new ATOM 134 N ALA A 8 85.009 11.752 12.293 1.00 0.00 N ATOM 135 CA ALA A 8 83.992 10.750 12.563 1.00 0.00 C ATOM 136 C ALA A 8 84.625 9.574 13.310 1.00 0.00 C ATOM 137 O ALA A 8 85.612 9.002 12.851 1.00 0.00 O ATOM 138 CB ALA A 8 83.337 10.321 11.249 1.00 0.00 C ATOM 0 H ALA A 8 85.344 11.771 11.330 1.00 0.00 H new ATOM 0 HA ALA A 8 83.208 11.161 13.200 1.00 0.00 H new ATOM 0 HB1 ALA A 8 82.574 9.569 11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 8 82.876 11.186 10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 8 84.093 9.901 10.586 1.00 0.00 H new ATOM 144 N GLU A 9 84.031 9.249 14.449 1.00 0.00 N ATOM 145 CA GLU A 9 84.525 8.152 15.264 1.00 0.00 C ATOM 146 C GLU A 9 83.356 7.357 15.847 1.00 0.00 C ATOM 147 O GLU A 9 83.543 6.546 16.753 1.00 0.00 O ATOM 148 CB GLU A 9 85.447 8.664 16.372 1.00 0.00 C ATOM 149 CG GLU A 9 84.670 9.502 17.389 1.00 0.00 C ATOM 150 CD GLU A 9 85.413 10.800 17.712 1.00 0.00 C ATOM 151 OE1 GLU A 9 84.998 11.879 17.264 1.00 0.00 O ATOM 152 OE2 GLU A 9 86.455 10.660 18.458 1.00 0.00 O ATOM 0 H GLU A 9 83.212 9.726 14.827 1.00 0.00 H new ATOM 0 HA GLU A 9 85.110 7.487 14.629 1.00 0.00 H new ATOM 0 HB2 GLU A 9 85.919 7.821 16.876 1.00 0.00 H new ATOM 0 HB3 GLU A 9 86.246 9.263 15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 9 83.681 9.734 16.995 1.00 0.00 H new ATOM 0 HG3 GLU A 9 84.522 8.926 18.303 1.00 0.00 H new ATOM 160 N LYS A 10 82.175 7.616 15.304 1.00 0.00 N ATOM 161 CA LYS A 10 80.976 6.934 15.760 1.00 0.00 C ATOM 162 C LYS A 10 80.453 6.029 14.643 1.00 0.00 C ATOM 163 O LYS A 10 79.892 4.968 14.911 1.00 0.00 O ATOM 164 CB LYS A 10 79.944 7.945 16.265 1.00 0.00 C ATOM 165 CG LYS A 10 79.857 9.154 15.331 1.00 0.00 C ATOM 166 CD LYS A 10 78.808 10.153 15.822 1.00 0.00 C ATOM 167 CE LYS A 10 77.393 9.615 15.602 1.00 0.00 C ATOM 168 NZ LYS A 10 76.947 9.881 14.217 1.00 0.00 N ATOM 0 H LYS A 10 82.023 8.289 14.553 1.00 0.00 H new ATOM 0 HA LYS A 10 81.204 6.292 16.611 1.00 0.00 H new ATOM 0 HB2 LYS A 10 78.967 7.467 16.338 1.00 0.00 H new ATOM 0 HB3 LYS A 10 80.214 8.275 17.268 1.00 0.00 H new ATOM 0 HG2 LYS A 10 80.830 9.643 15.272 1.00 0.00 H new ATOM 0 HG3 LYS A 10 79.605 8.822 14.324 1.00 0.00 H new ATOM 0 HD2 LYS A 10 78.963 10.357 16.882 1.00 0.00 H new ATOM 0 HD3 LYS A 10 78.927 11.099 15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 10 77.371 8.543 15.798 1.00 0.00 H new ATOM 0 HE3 LYS A 10 76.706 10.082 16.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 76.110 9.301 14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 76.705 10.888 14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 77.712 9.641 13.554 1.00 0.00 H new ATOM 181 N HIS A 11 80.657 6.481 13.414 1.00 0.00 N ATOM 182 CA HIS A 11 80.213 5.725 12.256 1.00 0.00 C ATOM 183 C HIS A 11 78.691 5.581 12.289 1.00 0.00 C ATOM 184 O HIS A 11 78.125 5.165 13.299 1.00 0.00 O ATOM 185 CB HIS A 11 80.935 4.378 12.177 1.00 0.00 C ATOM 186 CG HIS A 11 80.274 3.280 12.976 1.00 0.00 C ATOM 187 ND1 HIS A 11 78.999 2.798 12.944 1.00 0.00 N flip ATOM 188 CD2 HIS A 11 80.944 2.549 13.942 1.00 0.00 C flip ATOM 189 CE1 HIS A 11 78.895 1.824 13.840 1.00 0.00 C flip ATOM 190 NE2 HIS A 11 80.100 1.669 14.460 1.00 0.00 N flip ATOM 0 H HIS A 11 81.124 7.361 13.196 1.00 0.00 H new ATOM 0 HA HIS A 11 80.472 6.264 11.345 1.00 0.00 H new ATOM 0 HB2 HIS A 11 80.993 4.069 11.133 1.00 0.00 H new ATOM 0 HB3 HIS A 11 81.959 4.505 12.530 1.00 0.00 H new ATOM 0 HD2 HIS A 11 81.979 2.675 14.225 1.00 0.00 H new ATOM 0 HE1 HIS A 11 78.004 1.249 14.044 1.00 0.00 H new ATOM 0 HE2 HIS A 11 80.314 0.994 15.194 1.00 0.00 H new ATOM 198 N VAL A 12 78.070 5.932 11.172 1.00 0.00 N ATOM 199 CA VAL A 12 76.624 5.847 11.060 1.00 0.00 C ATOM 200 C VAL A 12 75.983 6.845 12.026 1.00 0.00 C ATOM 201 O VAL A 12 76.353 6.906 13.198 1.00 0.00 O ATOM 202 CB VAL A 12 76.165 4.407 11.297 1.00 0.00 C ATOM 203 CG1 VAL A 12 74.643 4.292 11.191 1.00 0.00 C ATOM 204 CG2 VAL A 12 76.856 3.445 10.328 1.00 0.00 C ATOM 0 H VAL A 12 78.543 6.276 10.336 1.00 0.00 H new ATOM 0 HA VAL A 12 76.302 6.115 10.054 1.00 0.00 H new ATOM 0 HB VAL A 12 76.452 4.126 12.310 1.00 0.00 H new ATOM 0 HG11 VAL A 12 74.343 3.258 11.364 1.00 0.00 H new ATOM 0 HG12 VAL A 12 74.177 4.935 11.938 1.00 0.00 H new ATOM 0 HG13 VAL A 12 74.323 4.601 10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 12 76.512 2.428 10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 12 76.614 3.725 9.303 1.00 0.00 H new ATOM 0 HG23 VAL A 12 77.935 3.496 10.472 1.00 0.00 H new ATOM 214 N HIS A 13 75.033 7.603 11.499 1.00 0.00 N ATOM 215 CA HIS A 13 74.337 8.595 12.300 1.00 0.00 C ATOM 216 C HIS A 13 72.831 8.494 12.048 1.00 0.00 C ATOM 217 O HIS A 13 72.059 8.237 12.971 1.00 0.00 O ATOM 218 CB HIS A 13 74.889 9.996 12.030 1.00 0.00 C ATOM 219 CG HIS A 13 74.335 11.062 12.945 1.00 0.00 C ATOM 220 ND1 HIS A 13 74.549 12.414 12.738 1.00 0.00 N ATOM 221 CD2 HIS A 13 73.572 10.961 14.071 1.00 0.00 C ATOM 222 CE1 HIS A 13 73.939 13.086 13.703 1.00 0.00 C ATOM 223 NE2 HIS A 13 73.335 12.184 14.528 1.00 0.00 N ATOM 0 H HIS A 13 74.729 7.550 10.527 1.00 0.00 H new ATOM 0 HA HIS A 13 74.508 8.397 13.358 1.00 0.00 H new ATOM 0 HB2 HIS A 13 75.974 9.973 12.131 1.00 0.00 H new ATOM 0 HB3 HIS A 13 74.670 10.269 10.998 1.00 0.00 H new ATOM 0 HD2 HIS A 13 73.220 10.042 14.515 1.00 0.00 H new ATOM 0 HE1 HIS A 13 73.923 14.160 13.816 1.00 0.00 H new ATOM 0 HE2 HIS A 13 72.790 12.412 15.360 1.00 0.00 H new ATOM 231 N ASN A 14 72.458 8.701 10.793 1.00 0.00 N ATOM 232 CA ASN A 14 71.058 8.636 10.408 1.00 0.00 C ATOM 233 C ASN A 14 70.941 8.832 8.896 1.00 0.00 C ATOM 234 O ASN A 14 70.364 9.818 8.437 1.00 0.00 O ATOM 235 CB ASN A 14 70.247 9.737 11.093 1.00 0.00 C ATOM 236 CG ASN A 14 68.786 9.316 11.265 1.00 0.00 C ATOM 237 OD1 ASN A 14 68.399 8.715 12.254 1.00 0.00 O ATOM 238 ND2 ASN A 14 68.000 9.663 10.250 1.00 0.00 N ATOM 0 H ASN A 14 73.101 8.914 10.030 1.00 0.00 H new ATOM 0 HA ASN A 14 70.670 7.663 10.709 1.00 0.00 H new ATOM 0 HB2 ASN A 14 70.682 9.961 12.067 1.00 0.00 H new ATOM 0 HB3 ASN A 14 70.298 10.652 10.503 1.00 0.00 H new ATOM 0 HD21 ASN A 14 67.008 9.427 10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 14 68.389 10.165 9.452 1.00 0.00 H new ATOM 245 N PHE A 15 71.496 7.879 8.162 1.00 0.00 N ATOM 246 CA PHE A 15 71.460 7.935 6.710 1.00 0.00 C ATOM 247 C PHE A 15 70.019 7.934 6.197 1.00 0.00 C ATOM 248 O PHE A 15 69.086 8.195 6.955 1.00 0.00 O ATOM 249 CB PHE A 15 72.172 6.682 6.197 1.00 0.00 C ATOM 250 CG PHE A 15 72.968 6.902 4.909 1.00 0.00 C ATOM 251 CD1 PHE A 15 74.020 7.765 4.899 1.00 0.00 C ATOM 252 CD2 PHE A 15 72.625 6.236 3.775 1.00 0.00 C ATOM 253 CE1 PHE A 15 74.759 7.970 3.704 1.00 0.00 C ATOM 254 CE2 PHE A 15 73.364 6.441 2.579 1.00 0.00 C ATOM 255 CZ PHE A 15 74.415 7.303 2.569 1.00 0.00 C ATOM 0 H PHE A 15 71.973 7.063 8.545 1.00 0.00 H new ATOM 0 HA PHE A 15 71.941 8.849 6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 15 72.847 6.317 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 15 71.432 5.900 6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 15 74.293 8.294 5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 15 71.790 5.551 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 15 75.594 8.655 3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 15 73.091 5.912 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 15 74.977 7.458 1.660 1.00 0.00 H new ATOM 265 N MET A 16 69.882 7.638 4.913 1.00 0.00 N ATOM 266 CA MET A 16 68.570 7.601 4.289 1.00 0.00 C ATOM 267 C MET A 16 67.935 6.216 4.431 1.00 0.00 C ATOM 268 O MET A 16 68.021 5.394 3.520 1.00 0.00 O ATOM 269 CB MET A 16 68.699 7.954 2.806 1.00 0.00 C ATOM 270 CG MET A 16 69.109 9.417 2.625 1.00 0.00 C ATOM 271 SD MET A 16 68.062 10.197 1.408 1.00 0.00 S ATOM 272 CE MET A 16 68.882 9.673 -0.089 1.00 0.00 C ATOM 0 H MET A 16 70.658 7.421 4.287 1.00 0.00 H new ATOM 0 HA MET A 16 67.930 8.327 4.790 1.00 0.00 H new ATOM 0 HB2 MET A 16 69.438 7.305 2.337 1.00 0.00 H new ATOM 0 HB3 MET A 16 67.750 7.773 2.301 1.00 0.00 H new ATOM 0 HG2 MET A 16 69.032 9.945 3.575 1.00 0.00 H new ATOM 0 HG3 MET A 16 70.151 9.475 2.311 1.00 0.00 H new ATOM 0 HE1 MET A 16 68.354 10.075 -0.953 1.00 0.00 H new ATOM 0 HE2 MET A 16 69.909 10.039 -0.089 1.00 0.00 H new ATOM 0 HE3 MET A 16 68.885 8.584 -0.140 1.00 0.00 H new ATOM 282 N MET A 17 67.313 6.000 5.580 1.00 0.00 N ATOM 283 CA MET A 17 66.664 4.729 5.853 1.00 0.00 C ATOM 284 C MET A 17 65.195 4.933 6.231 1.00 0.00 C ATOM 285 O MET A 17 64.299 4.511 5.501 1.00 0.00 O ATOM 286 CB MET A 17 67.391 4.019 6.997 1.00 0.00 C ATOM 287 CG MET A 17 68.249 5.003 7.795 1.00 0.00 C ATOM 288 SD MET A 17 68.848 4.222 9.284 1.00 0.00 S ATOM 289 CE MET A 17 70.605 4.449 9.068 1.00 0.00 C ATOM 0 H MET A 17 67.244 6.684 6.333 1.00 0.00 H new ATOM 0 HA MET A 17 66.707 4.120 4.950 1.00 0.00 H new ATOM 0 HB2 MET A 17 66.664 3.547 7.657 1.00 0.00 H new ATOM 0 HB3 MET A 17 68.020 3.225 6.595 1.00 0.00 H new ATOM 0 HG2 MET A 17 69.089 5.341 7.188 1.00 0.00 H new ATOM 0 HG3 MET A 17 67.663 5.887 8.048 1.00 0.00 H new ATOM 0 HE1 MET A 17 71.144 3.749 9.707 1.00 0.00 H new ATOM 0 HE2 MET A 17 70.870 4.267 8.026 1.00 0.00 H new ATOM 0 HE3 MET A 17 70.876 5.469 9.339 1.00 0.00 H new ATOM 299 N ASP A 18 64.994 5.580 7.369 1.00 0.00 N ATOM 300 CA ASP A 18 63.650 5.845 7.852 1.00 0.00 C ATOM 301 C ASP A 18 62.931 4.517 8.102 1.00 0.00 C ATOM 302 O ASP A 18 62.300 3.970 7.199 1.00 0.00 O ATOM 303 CB ASP A 18 62.840 6.634 6.822 1.00 0.00 C ATOM 304 CG ASP A 18 62.719 8.133 7.105 1.00 0.00 C ATOM 305 OD1 ASP A 18 62.659 8.560 8.268 1.00 0.00 O ATOM 306 OD2 ASP A 18 62.688 8.885 6.058 1.00 0.00 O ATOM 0 H ASP A 18 65.740 5.929 7.971 1.00 0.00 H new ATOM 0 HA ASP A 18 63.731 6.427 8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 18 63.298 6.500 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 18 61.838 6.208 6.766 1.00 0.00 H new ATOM 312 N THR A 19 63.051 4.038 9.331 1.00 0.00 N ATOM 313 CA THR A 19 62.421 2.785 9.710 1.00 0.00 C ATOM 314 C THR A 19 61.543 2.982 10.948 1.00 0.00 C ATOM 315 O THR A 19 61.792 2.384 11.993 1.00 0.00 O ATOM 316 CB THR A 19 63.523 1.742 9.908 1.00 0.00 C ATOM 317 OG1 THR A 19 64.555 2.452 10.587 1.00 0.00 O ATOM 318 CG2 THR A 19 64.169 1.316 8.588 1.00 0.00 C ATOM 0 H THR A 19 63.575 4.495 10.077 1.00 0.00 H new ATOM 0 HA THR A 19 61.751 2.428 8.928 1.00 0.00 H new ATOM 0 HB THR A 19 63.109 0.867 10.409 1.00 0.00 H new ATOM 0 HG1 THR A 19 65.309 1.850 10.757 1.00 0.00 H new ATOM 0 HG21 THR A 19 64.944 0.575 8.785 1.00 0.00 H new ATOM 0 HG22 THR A 19 63.411 0.884 7.935 1.00 0.00 H new ATOM 0 HG23 THR A 19 64.613 2.185 8.103 1.00 0.00 H new ATOM 326 N GLN A 20 60.532 3.825 10.788 1.00 0.00 N ATOM 327 CA GLN A 20 59.616 4.109 11.879 1.00 0.00 C ATOM 328 C GLN A 20 58.416 4.911 11.370 1.00 0.00 C ATOM 329 O GLN A 20 57.269 4.523 11.585 1.00 0.00 O ATOM 330 CB GLN A 20 60.327 4.848 13.015 1.00 0.00 C ATOM 331 CG GLN A 20 60.095 4.147 14.355 1.00 0.00 C ATOM 332 CD GLN A 20 60.391 5.089 15.524 1.00 0.00 C ATOM 333 OE1 GLN A 20 61.528 5.424 15.813 1.00 0.00 O ATOM 334 NE2 GLN A 20 59.306 5.495 16.179 1.00 0.00 N ATOM 0 H GLN A 20 60.328 4.320 9.920 1.00 0.00 H new ATOM 0 HA GLN A 20 59.253 3.162 12.278 1.00 0.00 H new ATOM 0 HB2 GLN A 20 61.396 4.899 12.808 1.00 0.00 H new ATOM 0 HB3 GLN A 20 59.964 5.874 13.070 1.00 0.00 H new ATOM 0 HG2 GLN A 20 59.063 3.800 14.415 1.00 0.00 H new ATOM 0 HG3 GLN A 20 60.732 3.265 14.423 1.00 0.00 H new ATOM 0 HE21 GLN A 20 58.383 5.176 15.884 1.00 0.00 H new ATOM 0 HE22 GLN A 20 59.397 6.125 16.976 1.00 0.00 H new ATOM 343 N LEU A 21 58.723 6.015 10.705 1.00 0.00 N ATOM 344 CA LEU A 21 57.685 6.875 10.164 1.00 0.00 C ATOM 345 C LEU A 21 57.473 6.543 8.685 1.00 0.00 C ATOM 346 O LEU A 21 57.904 7.292 7.809 1.00 0.00 O ATOM 347 CB LEU A 21 58.019 8.346 10.422 1.00 0.00 C ATOM 348 CG LEU A 21 58.176 8.751 11.889 1.00 0.00 C ATOM 349 CD1 LEU A 21 59.016 10.023 12.020 1.00 0.00 C ATOM 350 CD2 LEU A 21 56.812 8.892 12.568 1.00 0.00 C ATOM 0 H LEU A 21 59.676 6.334 10.529 1.00 0.00 H new ATOM 0 HA LEU A 21 56.737 6.693 10.671 1.00 0.00 H new ATOM 0 HB2 LEU A 21 58.945 8.585 9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 21 57.235 8.959 9.978 1.00 0.00 H new ATOM 0 HG LEU A 21 58.713 7.956 12.407 1.00 0.00 H new ATOM 0 HD11 LEU A 21 59.112 10.289 13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 21 60.006 9.850 11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 21 58.529 10.837 11.483 1.00 0.00 H new ATOM 0 HD21 LEU A 21 56.952 9.180 13.610 1.00 0.00 H new ATOM 0 HD22 LEU A 21 56.228 9.656 12.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 56.283 7.940 12.523 1.00 0.00 H new ATOM 362 N THR A 22 56.810 5.420 8.453 1.00 0.00 N ATOM 363 CA THR A 22 56.536 4.979 7.096 1.00 0.00 C ATOM 364 C THR A 22 55.163 5.479 6.640 1.00 0.00 C ATOM 365 O THR A 22 55.059 6.198 5.648 1.00 0.00 O ATOM 366 CB THR A 22 56.673 3.456 7.056 1.00 0.00 C ATOM 367 OG1 THR A 22 58.078 3.236 6.977 1.00 0.00 O ATOM 368 CG2 THR A 22 56.127 2.853 5.761 1.00 0.00 C ATOM 0 H THR A 22 56.454 4.802 9.182 1.00 0.00 H new ATOM 0 HA THR A 22 57.252 5.402 6.391 1.00 0.00 H new ATOM 0 HB THR A 22 56.149 3.022 7.907 1.00 0.00 H new ATOM 0 HG1 THR A 22 58.257 2.273 6.949 1.00 0.00 H new ATOM 0 HG21 THR A 22 56.249 1.770 5.784 1.00 0.00 H new ATOM 0 HG22 THR A 22 55.069 3.097 5.664 1.00 0.00 H new ATOM 0 HG23 THR A 22 56.673 3.261 4.911 1.00 0.00 H new ATOM 376 N LYS A 23 54.145 5.076 7.386 1.00 0.00 N ATOM 377 CA LYS A 23 52.784 5.473 7.071 1.00 0.00 C ATOM 378 C LYS A 23 52.005 5.684 8.371 1.00 0.00 C ATOM 379 O LYS A 23 52.369 5.139 9.412 1.00 0.00 O ATOM 380 CB LYS A 23 52.136 4.462 6.123 1.00 0.00 C ATOM 381 CG LYS A 23 51.628 3.239 6.890 1.00 0.00 C ATOM 382 CD LYS A 23 52.212 1.948 6.312 1.00 0.00 C ATOM 383 CE LYS A 23 51.344 1.417 5.170 1.00 0.00 C ATOM 384 NZ LYS A 23 50.339 0.460 5.684 1.00 0.00 N ATOM 0 H LYS A 23 54.236 4.479 8.208 1.00 0.00 H new ATOM 0 HA LYS A 23 52.779 6.424 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 23 51.308 4.933 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 23 52.859 4.149 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 23 51.900 3.326 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 23 50.540 3.203 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 23 53.223 2.132 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 23 52.287 1.195 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 23 50.843 2.246 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 23 51.972 0.929 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 50.146 -0.262 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 50.704 0.001 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 49.460 0.968 5.910 1.00 0.00 H new ATOM 397 N ARG A 24 50.948 6.476 8.269 1.00 0.00 N ATOM 398 CA ARG A 24 50.114 6.765 9.423 1.00 0.00 C ATOM 399 C ARG A 24 48.645 6.486 9.101 1.00 0.00 C ATOM 400 O ARG A 24 48.245 6.514 7.938 1.00 0.00 O ATOM 401 CB ARG A 24 50.266 8.223 9.860 1.00 0.00 C ATOM 402 CG ARG A 24 49.629 9.170 8.841 1.00 0.00 C ATOM 403 CD ARG A 24 50.678 10.098 8.224 1.00 0.00 C ATOM 404 NE ARG A 24 50.458 10.213 6.765 1.00 0.00 N ATOM 405 CZ ARG A 24 49.404 10.846 6.206 1.00 0.00 C ATOM 406 NH1 ARG A 24 48.465 11.428 6.982 1.00 0.00 N ATOM 407 NH2 ARG A 24 49.307 10.887 4.891 1.00 0.00 N ATOM 0 H ARG A 24 50.650 6.927 7.404 1.00 0.00 H new ATOM 0 HA ARG A 24 50.439 6.117 10.237 1.00 0.00 H new ATOM 0 HB2 ARG A 24 49.799 8.365 10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 24 51.323 8.464 9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 24 49.143 8.591 8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 24 48.854 9.763 9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 24 50.621 11.083 8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 24 51.678 9.711 8.420 1.00 0.00 H new ATOM 0 HE ARG A 24 51.145 9.788 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 24 48.549 11.392 7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 24 47.672 11.904 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 24 50.022 10.445 4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 24 48.517 11.361 4.452 1.00 0.00 H new ATOM 420 N VAL A 25 47.881 6.223 10.151 1.00 0.00 N ATOM 421 CA VAL A 25 46.465 5.940 9.994 1.00 0.00 C ATOM 422 C VAL A 25 46.259 5.063 8.758 1.00 0.00 C ATOM 423 O VAL A 25 45.545 5.446 7.832 1.00 0.00 O ATOM 424 CB VAL A 25 45.672 7.247 9.938 1.00 0.00 C ATOM 425 CG1 VAL A 25 46.290 8.220 8.932 1.00 0.00 C ATOM 426 CG2 VAL A 25 44.201 6.983 9.614 1.00 0.00 C ATOM 0 H VAL A 25 48.216 6.200 11.114 1.00 0.00 H new ATOM 0 HA VAL A 25 46.090 5.385 10.854 1.00 0.00 H new ATOM 0 HB VAL A 25 45.719 7.710 10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 25 45.707 9.141 8.912 1.00 0.00 H new ATOM 0 HG12 VAL A 25 47.315 8.445 9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 25 46.289 7.768 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 25 43.660 7.929 9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 25 44.125 6.487 8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 25 43.768 6.345 10.384 1.00 0.00 H new ATOM 436 N LYS A 26 46.896 3.902 8.782 1.00 0.00 N ATOM 437 CA LYS A 26 46.792 2.967 7.675 1.00 0.00 C ATOM 438 C LYS A 26 47.483 3.560 6.445 1.00 0.00 C ATOM 439 O LYS A 26 48.514 3.054 6.004 1.00 0.00 O ATOM 440 CB LYS A 26 45.330 2.584 7.433 1.00 0.00 C ATOM 441 CG LYS A 26 44.868 1.526 8.437 1.00 0.00 C ATOM 442 CD LYS A 26 44.581 2.154 9.802 1.00 0.00 C ATOM 443 CE LYS A 26 44.191 1.086 10.826 1.00 0.00 C ATOM 444 NZ LYS A 26 45.400 0.464 11.411 1.00 0.00 N ATOM 0 H LYS A 26 47.487 3.587 9.552 1.00 0.00 H new ATOM 0 HA LYS A 26 47.307 2.036 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 26 44.700 3.469 7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 26 45.213 2.203 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.971 1.033 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.635 0.758 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 26 45.462 2.693 10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.777 2.884 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.587 1.534 11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.577 0.323 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 45.118 -0.259 12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 45.962 0.020 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 45.971 1.193 11.884 1.00 0.00 H new ATOM 457 N ASN A 27 46.888 4.625 5.927 1.00 0.00 N ATOM 458 CA ASN A 27 47.434 5.292 4.758 1.00 0.00 C ATOM 459 C ASN A 27 46.993 4.545 3.498 1.00 0.00 C ATOM 460 O ASN A 27 47.797 4.312 2.596 1.00 0.00 O ATOM 461 CB ASN A 27 48.964 5.300 4.792 1.00 0.00 C ATOM 462 CG ASN A 27 49.523 6.490 4.009 1.00 0.00 C ATOM 463 OD1 ASN A 27 50.510 7.129 4.630 1.00 0.00 O flip ATOM 464 ND2 ASN A 27 49.088 6.806 2.914 1.00 0.00 N flip ATOM 0 H ASN A 27 46.033 5.042 6.296 1.00 0.00 H new ATOM 0 HA ASN A 27 47.068 6.319 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.308 5.346 5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.346 4.370 4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 27 48.328 6.272 2.494 1.00 0.00 H new ATOM 0 HD22 ASN A 27 49.485 7.605 2.419 1.00 0.00 H new ATOM 471 N ALA A 28 45.716 4.191 3.475 1.00 0.00 N ATOM 472 CA ALA A 28 45.159 3.475 2.340 1.00 0.00 C ATOM 473 C ALA A 28 43.669 3.800 2.220 1.00 0.00 C ATOM 474 O ALA A 28 42.914 3.051 1.601 1.00 0.00 O ATOM 475 CB ALA A 28 45.417 1.976 2.504 1.00 0.00 C ATOM 0 H ALA A 28 45.052 4.387 4.224 1.00 0.00 H new ATOM 0 HA ALA A 28 45.641 3.789 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 28 44.999 1.440 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.491 1.795 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.946 1.624 3.422 1.00 0.00 H new ATOM 481 N ALA A 29 43.289 4.917 2.821 1.00 0.00 N ATOM 482 CA ALA A 29 41.902 5.351 2.790 1.00 0.00 C ATOM 483 C ALA A 29 41.149 4.721 3.963 1.00 0.00 C ATOM 484 O ALA A 29 39.964 4.411 3.850 1.00 0.00 O ATOM 485 CB ALA A 29 41.285 4.987 1.438 1.00 0.00 C ATOM 0 H ALA A 29 43.918 5.536 3.333 1.00 0.00 H new ATOM 0 HA ALA A 29 41.835 6.433 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.245 5.312 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.839 5.482 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 29 41.331 3.907 1.296 1.00 0.00 H new ATOM 491 N ALA A 30 41.867 4.551 5.063 1.00 0.00 N ATOM 492 CA ALA A 30 41.281 3.965 6.256 1.00 0.00 C ATOM 493 C ALA A 30 39.926 4.619 6.529 1.00 0.00 C ATOM 494 O ALA A 30 39.863 5.734 7.046 1.00 0.00 O ATOM 495 CB ALA A 30 42.250 4.120 7.431 1.00 0.00 C ATOM 0 H ALA A 30 42.850 4.809 5.153 1.00 0.00 H new ATOM 0 HA ALA A 30 41.109 2.898 6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.810 3.680 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 30 43.186 3.612 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.445 5.178 7.605 1.00 0.00 H new ATOM 501 N ASN A 31 38.874 3.899 6.168 1.00 0.00 N ATOM 502 CA ASN A 31 37.523 4.396 6.367 1.00 0.00 C ATOM 503 C ASN A 31 37.388 5.772 5.711 1.00 0.00 C ATOM 504 O ASN A 31 36.474 6.529 6.031 1.00 0.00 O ATOM 505 CB ASN A 31 37.206 4.549 7.856 1.00 0.00 C ATOM 506 CG ASN A 31 36.093 3.589 8.282 1.00 0.00 C ATOM 507 OD1 ASN A 31 35.910 2.523 7.718 1.00 0.00 O ATOM 508 ND2 ASN A 31 35.364 4.025 9.305 1.00 0.00 N ATOM 0 H ASN A 31 38.930 2.975 5.739 1.00 0.00 H new ATOM 0 HA ASN A 31 36.832 3.680 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.103 4.355 8.444 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.905 5.576 8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 31 34.597 3.456 9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 31 35.572 4.928 9.731 1.00 0.00 H new ATOM 515 N VAL A 32 38.313 6.053 4.805 1.00 0.00 N ATOM 516 CA VAL A 32 38.310 7.324 4.101 1.00 0.00 C ATOM 517 C VAL A 32 38.088 8.457 5.105 1.00 0.00 C ATOM 518 O VAL A 32 37.673 9.552 4.729 1.00 0.00 O ATOM 519 CB VAL A 32 37.263 7.301 2.985 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.281 5.962 2.244 1.00 0.00 C ATOM 521 CG2 VAL A 32 35.868 7.605 3.535 1.00 0.00 C ATOM 0 H VAL A 32 39.070 5.422 4.542 1.00 0.00 H new ATOM 0 HA VAL A 32 39.273 7.498 3.622 1.00 0.00 H new ATOM 0 HB VAL A 32 37.518 8.083 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.528 5.972 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 32 38.265 5.803 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 32 37.063 5.156 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.143 7.582 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.600 6.857 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 32 35.866 8.593 3.995 1.00 0.00 H new ATOM 531 N LEU A 33 38.375 8.155 6.363 1.00 0.00 N ATOM 532 CA LEU A 33 38.213 9.135 7.423 1.00 0.00 C ATOM 533 C LEU A 33 36.723 9.413 7.630 1.00 0.00 C ATOM 534 O LEU A 33 36.196 9.212 8.724 1.00 0.00 O ATOM 535 CB LEU A 33 39.037 10.389 7.126 1.00 0.00 C ATOM 536 CG LEU A 33 39.267 11.336 8.305 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.759 11.608 8.508 1.00 0.00 C ATOM 538 CD2 LEU A 33 38.467 12.629 8.133 1.00 0.00 C ATOM 0 H LEU A 33 38.719 7.246 6.672 1.00 0.00 H new ATOM 0 HA LEU A 33 38.600 8.745 8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.008 10.078 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.541 10.945 6.330 1.00 0.00 H new ATOM 0 HG LEU A 33 38.903 10.849 9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 33 40.894 12.284 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.276 10.670 8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.171 12.065 7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.648 13.285 8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.778 13.130 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 33 37.404 12.394 8.075 1.00 0.00 H new ATOM 550 N ARG A 34 36.085 9.872 6.563 1.00 0.00 N ATOM 551 CA ARG A 34 34.666 10.181 6.614 1.00 0.00 C ATOM 552 C ARG A 34 33.861 8.923 6.948 1.00 0.00 C ATOM 553 O ARG A 34 32.874 8.989 7.678 1.00 0.00 O ATOM 554 CB ARG A 34 34.179 10.752 5.281 1.00 0.00 C ATOM 555 CG ARG A 34 32.938 11.625 5.480 1.00 0.00 C ATOM 556 CD ARG A 34 33.292 13.111 5.384 1.00 0.00 C ATOM 557 NE ARG A 34 32.092 13.935 5.645 1.00 0.00 N ATOM 558 CZ ARG A 34 31.683 14.308 6.876 1.00 0.00 C ATOM 559 NH1 ARG A 34 32.376 13.933 7.972 1.00 0.00 N ATOM 560 NH2 ARG A 34 30.594 15.046 6.993 1.00 0.00 N ATOM 0 H ARG A 34 36.525 10.037 5.658 1.00 0.00 H new ATOM 0 HA ARG A 34 34.517 10.929 7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.973 11.341 4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.949 9.937 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.190 11.376 4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 34 32.494 11.415 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 34 34.074 13.354 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 34 33.689 13.335 4.394 1.00 0.00 H new ATOM 0 HE ARG A 34 31.539 14.241 4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 34 33.216 13.363 7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 34 32.059 14.220 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 34 30.076 15.326 6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 34 30.271 15.336 7.916 1.00 0.00 H new ATOM 573 N GLU A 35 34.314 7.806 6.396 1.00 0.00 N ATOM 574 CA GLU A 35 33.648 6.535 6.625 1.00 0.00 C ATOM 575 C GLU A 35 32.142 6.676 6.394 1.00 0.00 C ATOM 576 O GLU A 35 31.342 6.064 7.101 1.00 0.00 O ATOM 577 CB GLU A 35 33.940 6.010 8.032 1.00 0.00 C ATOM 578 CG GLU A 35 33.247 6.867 9.093 1.00 0.00 C ATOM 579 CD GLU A 35 33.110 6.104 10.412 1.00 0.00 C ATOM 580 OE1 GLU A 35 31.988 5.918 10.906 1.00 0.00 O ATOM 581 OE2 GLU A 35 34.221 5.697 10.924 1.00 0.00 O ATOM 0 H GLU A 35 35.134 7.755 5.791 1.00 0.00 H new ATOM 0 HA GLU A 35 34.038 5.808 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.602 4.977 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 35 35.016 6.008 8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.817 7.782 9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.261 7.165 8.737 1.00 0.00 H new ATOM 589 N THR A 36 31.801 7.485 5.402 1.00 0.00 N ATOM 590 CA THR A 36 30.405 7.713 5.069 1.00 0.00 C ATOM 591 C THR A 36 29.765 6.427 4.542 1.00 0.00 C ATOM 592 O THR A 36 28.544 6.282 4.566 1.00 0.00 O ATOM 593 CB THR A 36 30.340 8.875 4.075 1.00 0.00 C ATOM 594 OG1 THR A 36 30.121 10.020 4.894 1.00 0.00 O ATOM 595 CG2 THR A 36 29.099 8.813 3.182 1.00 0.00 C ATOM 0 H THR A 36 32.467 7.991 4.818 1.00 0.00 H new ATOM 0 HA THR A 36 29.828 7.988 5.952 1.00 0.00 H new ATOM 0 HB THR A 36 31.235 8.871 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 36 30.068 10.820 4.330 1.00 0.00 H new ATOM 0 HG21 THR A 36 29.102 9.660 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 36 29.107 7.884 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 36 28.203 8.851 3.801 1.00 0.00 H new ATOM 603 N TRP A 37 30.619 5.526 4.079 1.00 0.00 N ATOM 604 CA TRP A 37 30.152 4.257 3.547 1.00 0.00 C ATOM 605 C TRP A 37 30.005 3.280 4.716 1.00 0.00 C ATOM 606 O TRP A 37 29.473 2.184 4.550 1.00 0.00 O ATOM 607 CB TRP A 37 31.090 3.743 2.453 1.00 0.00 C ATOM 608 CG TRP A 37 32.107 4.777 1.968 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.409 4.860 2.272 1.00 0.00 C ATOM 610 CD2 TRP A 37 31.851 5.881 1.073 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.009 5.932 1.643 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.031 6.572 0.890 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.661 6.281 0.440 1.00 0.00 C ATOM 614 CZ2 TRP A 37 33.137 7.705 0.075 1.00 0.00 C ATOM 615 CZ3 TRP A 37 30.784 7.416 -0.371 1.00 0.00 C ATOM 616 CH2 TRP A 37 31.964 8.123 -0.566 1.00 0.00 C ATOM 0 H TRP A 37 31.631 5.650 4.061 1.00 0.00 H new ATOM 0 HA TRP A 37 29.181 4.374 3.066 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.625 2.871 2.828 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.493 3.410 1.604 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.925 4.174 2.927 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.989 6.204 1.717 1.00 0.00 H new ATOM 0 HE3 TRP A 37 29.727 5.755 0.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.073 8.229 -0.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 29.899 7.767 -0.881 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.977 8.991 -1.209 1.00 0.00 H new ATOM 627 N LEU A 38 30.485 3.714 5.872 1.00 0.00 N ATOM 628 CA LEU A 38 30.413 2.892 7.068 1.00 0.00 C ATOM 629 C LEU A 38 29.151 3.252 7.854 1.00 0.00 C ATOM 630 O LEU A 38 28.704 2.483 8.703 1.00 0.00 O ATOM 631 CB LEU A 38 31.702 3.018 7.883 1.00 0.00 C ATOM 632 CG LEU A 38 32.977 2.514 7.204 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.745 1.155 6.542 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.516 3.549 6.214 1.00 0.00 C ATOM 0 H LEU A 38 30.925 4.624 6.006 1.00 0.00 H new ATOM 0 HA LEU A 38 30.333 1.838 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.843 4.067 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.572 2.473 8.818 1.00 0.00 H new ATOM 0 HG LEU A 38 33.739 2.373 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.667 0.820 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.441 0.430 7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.961 1.246 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.422 3.166 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.766 3.745 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.744 4.474 6.743 1.00 0.00 H new ATOM 646 N ILE A 39 28.612 4.421 7.543 1.00 0.00 N ATOM 647 CA ILE A 39 27.410 4.893 8.209 1.00 0.00 C ATOM 648 C ILE A 39 26.210 4.710 7.277 1.00 0.00 C ATOM 649 O ILE A 39 25.156 4.239 7.701 1.00 0.00 O ATOM 650 CB ILE A 39 27.596 6.330 8.697 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.451 7.136 7.717 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.171 6.358 10.115 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.185 8.636 7.861 1.00 0.00 C ATOM 0 H ILE A 39 28.986 5.056 6.838 1.00 0.00 H new ATOM 0 HA ILE A 39 27.213 4.301 9.103 1.00 0.00 H new ATOM 0 HB ILE A 39 26.616 6.806 8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.506 6.932 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.235 6.821 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.293 7.392 10.438 1.00 0.00 H new ATOM 0 HG22 ILE A 39 27.490 5.844 10.794 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.139 5.858 10.125 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.806 9.185 7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.134 8.840 7.657 1.00 0.00 H new ATOM 0 HD13 ILE A 39 28.426 8.952 8.876 1.00 0.00 H new ATOM 665 N TYR A 40 26.411 5.093 6.025 1.00 0.00 N ATOM 666 CA TYR A 40 25.359 4.978 5.029 1.00 0.00 C ATOM 667 C TYR A 40 23.987 5.260 5.646 1.00 0.00 C ATOM 668 O TYR A 40 23.330 4.350 6.149 1.00 0.00 O ATOM 669 CB TYR A 40 25.397 3.528 4.541 1.00 0.00 C ATOM 670 CG TYR A 40 25.422 2.493 5.667 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.623 2.126 6.241 1.00 0.00 C ATOM 672 CD2 TYR A 40 24.244 1.926 6.109 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.646 1.152 7.301 1.00 0.00 C ATOM 674 CE2 TYR A 40 24.268 0.951 7.170 1.00 0.00 C ATOM 675 CZ TYR A 40 25.468 0.613 7.713 1.00 0.00 C ATOM 676 OH TYR A 40 25.490 -0.308 8.714 1.00 0.00 O ATOM 0 H TYR A 40 27.287 5.483 5.677 1.00 0.00 H new ATOM 0 HA TYR A 40 25.514 5.695 4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 40 24.526 3.344 3.912 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.278 3.389 3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.545 2.569 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 40 23.305 2.213 5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.578 0.856 7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 40 23.354 0.499 7.526 1.00 0.00 H new ATOM 0 HH TYR A 40 24.576 -0.606 8.905 1.00 0.00 H new ATOM 686 N LYS A 41 23.596 6.524 5.586 1.00 0.00 N ATOM 687 CA LYS A 41 22.315 6.938 6.132 1.00 0.00 C ATOM 688 C LYS A 41 21.373 7.311 4.986 1.00 0.00 C ATOM 689 O LYS A 41 21.202 8.490 4.677 1.00 0.00 O ATOM 690 CB LYS A 41 22.506 8.055 7.160 1.00 0.00 C ATOM 691 CG LYS A 41 22.510 7.495 8.584 1.00 0.00 C ATOM 692 CD LYS A 41 23.939 7.275 9.083 1.00 0.00 C ATOM 693 CE LYS A 41 24.283 8.252 10.209 1.00 0.00 C ATOM 694 NZ LYS A 41 25.517 7.826 10.907 1.00 0.00 N ATOM 0 H LYS A 41 24.144 7.276 5.167 1.00 0.00 H new ATOM 0 HA LYS A 41 21.848 6.115 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.444 8.575 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.707 8.790 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.990 8.183 9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.963 6.552 8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.050 6.251 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.640 7.404 8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.417 9.254 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 41 23.457 8.304 10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 25.462 8.101 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.617 6.793 10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.340 8.284 10.467 1.00 0.00 H new ATOM 707 N ASN A 42 20.787 6.286 4.385 1.00 0.00 N ATOM 708 CA ASN A 42 19.867 6.492 3.279 1.00 0.00 C ATOM 709 C ASN A 42 19.127 5.186 2.988 1.00 0.00 C ATOM 710 O ASN A 42 17.898 5.142 3.028 1.00 0.00 O ATOM 711 CB ASN A 42 20.616 6.905 2.010 1.00 0.00 C ATOM 712 CG ASN A 42 19.643 7.394 0.935 1.00 0.00 C ATOM 713 OD1 ASN A 42 18.550 7.858 1.215 1.00 0.00 O ATOM 714 ND2 ASN A 42 20.101 7.266 -0.307 1.00 0.00 N ATOM 0 H ASN A 42 20.931 5.310 4.643 1.00 0.00 H new ATOM 0 HA ASN A 42 19.172 7.283 3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.330 7.694 2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 42 21.189 6.059 1.630 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.527 7.565 -1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 42 21.026 6.869 -0.471 1.00 0.00 H new ATOM 721 N THR A 43 19.905 4.153 2.700 1.00 0.00 N ATOM 722 CA THR A 43 19.338 2.848 2.402 1.00 0.00 C ATOM 723 C THR A 43 18.171 2.986 1.423 1.00 0.00 C ATOM 724 O THR A 43 17.985 4.040 0.817 1.00 0.00 O ATOM 725 CB THR A 43 18.947 2.189 3.726 1.00 0.00 C ATOM 726 OG1 THR A 43 18.009 3.095 4.301 1.00 0.00 O ATOM 727 CG2 THR A 43 20.101 2.160 4.730 1.00 0.00 C ATOM 0 H THR A 43 20.924 4.193 2.667 1.00 0.00 H new ATOM 0 HA THR A 43 20.064 2.205 1.905 1.00 0.00 H new ATOM 0 HB THR A 43 18.605 1.171 3.537 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.507 3.542 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 43 19.769 1.682 5.652 1.00 0.00 H new ATOM 0 HG22 THR A 43 20.935 1.598 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 43 20.422 3.179 4.945 1.00 0.00 H new ATOM 735 N LYS A 44 17.415 1.905 1.298 1.00 0.00 N ATOM 736 CA LYS A 44 16.271 1.891 0.402 1.00 0.00 C ATOM 737 C LYS A 44 14.990 1.719 1.221 1.00 0.00 C ATOM 738 O LYS A 44 15.038 1.649 2.448 1.00 0.00 O ATOM 739 CB LYS A 44 16.453 0.830 -0.684 1.00 0.00 C ATOM 740 CG LYS A 44 16.293 -0.578 -0.108 1.00 0.00 C ATOM 741 CD LYS A 44 17.318 -1.539 -0.715 1.00 0.00 C ATOM 742 CE LYS A 44 17.879 -2.486 0.349 1.00 0.00 C ATOM 743 NZ LYS A 44 19.140 -3.103 -0.120 1.00 0.00 N ATOM 0 H LYS A 44 17.572 1.032 1.802 1.00 0.00 H new ATOM 0 HA LYS A 44 16.189 2.842 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.722 0.987 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.440 0.932 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.414 -0.548 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.285 -0.943 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.852 -2.118 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.131 -0.971 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.057 -1.938 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.149 -3.263 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.507 -3.742 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.960 -3.642 -0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.840 -2.358 -0.312 1.00 0.00 H new ATOM 756 N LEU A 45 13.874 1.657 0.509 1.00 0.00 N ATOM 757 CA LEU A 45 12.583 1.494 1.154 1.00 0.00 C ATOM 758 C LEU A 45 12.412 2.575 2.223 1.00 0.00 C ATOM 759 O LEU A 45 12.391 2.276 3.416 1.00 0.00 O ATOM 760 CB LEU A 45 12.427 0.070 1.690 1.00 0.00 C ATOM 761 CG LEU A 45 12.678 -1.056 0.685 1.00 0.00 C ATOM 762 CD1 LEU A 45 13.487 -2.189 1.321 1.00 0.00 C ATOM 763 CD2 LEU A 45 11.363 -1.558 0.085 1.00 0.00 C ATOM 0 H LEU A 45 13.838 1.717 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 45 11.777 1.628 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.112 -0.059 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.417 -0.040 2.084 1.00 0.00 H new ATOM 0 HG LEU A 45 13.274 -0.655 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.651 -2.976 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.448 -1.803 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.938 -2.595 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.569 -2.358 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.721 -1.936 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.860 -0.738 -0.428 1.00 0.00 H new ATOM 775 N VAL A 46 12.293 3.810 1.756 1.00 0.00 N ATOM 776 CA VAL A 46 12.125 4.937 2.657 1.00 0.00 C ATOM 777 C VAL A 46 10.696 5.471 2.538 1.00 0.00 C ATOM 778 O VAL A 46 9.973 5.547 3.530 1.00 0.00 O ATOM 779 CB VAL A 46 13.186 6.001 2.369 1.00 0.00 C ATOM 780 CG1 VAL A 46 12.922 7.273 3.177 1.00 0.00 C ATOM 781 CG2 VAL A 46 14.592 5.461 2.640 1.00 0.00 C ATOM 0 H VAL A 46 12.310 4.054 0.766 1.00 0.00 H new ATOM 0 HA VAL A 46 12.271 4.624 3.691 1.00 0.00 H new ATOM 0 HB VAL A 46 13.124 6.258 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.691 8.012 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.944 7.675 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.943 7.039 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.327 6.237 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 46 14.672 5.162 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 46 14.780 4.598 2.001 1.00 0.00 H new ATOM 791 N LYS A 47 10.331 5.827 1.315 1.00 0.00 N ATOM 792 CA LYS A 47 9.002 6.351 1.053 1.00 0.00 C ATOM 793 C LYS A 47 8.015 5.188 0.930 1.00 0.00 C ATOM 794 O LYS A 47 7.328 5.057 -0.082 1.00 0.00 O ATOM 795 CB LYS A 47 9.020 7.273 -0.167 1.00 0.00 C ATOM 796 CG LYS A 47 7.601 7.682 -0.568 1.00 0.00 C ATOM 797 CD LYS A 47 7.304 7.285 -2.015 1.00 0.00 C ATOM 798 CE LYS A 47 5.918 7.771 -2.444 1.00 0.00 C ATOM 799 NZ LYS A 47 5.917 8.135 -3.878 1.00 0.00 N ATOM 0 H LYS A 47 10.933 5.763 0.494 1.00 0.00 H new ATOM 0 HA LYS A 47 8.666 6.969 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.610 8.163 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.506 6.768 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.880 7.208 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.483 8.759 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.062 7.708 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.361 6.201 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.180 6.990 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.627 8.633 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.969 8.463 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.607 8.895 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.174 7.304 -4.447 1.00 0.00 H new ATOM 812 N LYS A 48 7.976 4.374 1.974 1.00 0.00 N ATOM 813 CA LYS A 48 7.085 3.226 1.996 1.00 0.00 C ATOM 814 C LYS A 48 5.638 3.707 1.869 1.00 0.00 C ATOM 815 O LYS A 48 5.189 4.547 2.647 1.00 0.00 O ATOM 816 CB LYS A 48 7.342 2.371 3.238 1.00 0.00 C ATOM 817 CG LYS A 48 7.331 3.228 4.505 1.00 0.00 C ATOM 818 CD LYS A 48 6.105 2.919 5.366 1.00 0.00 C ATOM 819 CE LYS A 48 6.366 1.722 6.283 1.00 0.00 C ATOM 820 NZ LYS A 48 5.109 0.988 6.548 1.00 0.00 N ATOM 0 H LYS A 48 8.547 4.486 2.812 1.00 0.00 H new ATOM 0 HA LYS A 48 7.281 2.575 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.581 1.594 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.304 1.867 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.239 3.045 5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.333 4.284 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.848 3.792 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.249 2.710 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.093 1.054 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.799 2.064 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.304 0.179 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.426 1.623 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.711 0.645 5.650 1.00 0.00 H new ATOM 833 N ILE A 49 4.949 3.155 0.881 1.00 0.00 N ATOM 834 CA ILE A 49 3.562 3.517 0.642 1.00 0.00 C ATOM 835 C ILE A 49 2.757 3.312 1.928 1.00 0.00 C ATOM 836 O ILE A 49 3.291 2.838 2.929 1.00 0.00 O ATOM 837 CB ILE A 49 3.007 2.750 -0.559 1.00 0.00 C ATOM 838 CG1 ILE A 49 3.026 1.241 -0.303 1.00 0.00 C ATOM 839 CG2 ILE A 49 3.754 3.123 -1.841 1.00 0.00 C ATOM 840 CD1 ILE A 49 1.627 0.642 -0.451 1.00 0.00 C ATOM 0 H ILE A 49 5.325 2.460 0.237 1.00 0.00 H new ATOM 0 HA ILE A 49 3.484 4.572 0.381 1.00 0.00 H new ATOM 0 HB ILE A 49 1.965 3.040 -0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.708 0.758 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.406 1.043 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.339 2.563 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.645 4.191 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.811 2.880 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.669 -0.431 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.953 1.109 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.260 0.820 -1.462 1.00 0.00 H new ATOM 852 N ASP A 50 1.486 3.680 1.857 1.00 0.00 N ATOM 853 CA ASP A 50 0.603 3.542 3.002 1.00 0.00 C ATOM 854 C ASP A 50 -0.178 2.232 2.884 1.00 0.00 C ATOM 855 O ASP A 50 -0.369 1.527 3.874 1.00 0.00 O ATOM 856 CB ASP A 50 -0.407 4.691 3.060 1.00 0.00 C ATOM 857 CG ASP A 50 -0.863 5.080 4.468 1.00 0.00 C ATOM 858 OD1 ASP A 50 -0.360 4.553 5.471 1.00 0.00 O ATOM 859 OD2 ASP A 50 -1.790 5.976 4.512 1.00 0.00 O ATOM 0 H ASP A 50 1.047 4.073 1.025 1.00 0.00 H new ATOM 0 HA ASP A 50 1.216 3.554 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.033 5.566 2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.283 4.415 2.474 1.00 0.00 H new ATOM 865 N HIS A 51 -0.609 1.945 1.665 1.00 0.00 N ATOM 866 CA HIS A 51 -1.365 0.732 1.405 1.00 0.00 C ATOM 867 C HIS A 51 -1.752 0.676 -0.074 1.00 0.00 C ATOM 868 O HIS A 51 -1.112 -0.020 -0.862 1.00 0.00 O ATOM 869 CB HIS A 51 -2.574 0.634 2.338 1.00 0.00 C ATOM 870 CG HIS A 51 -3.552 -0.454 1.964 1.00 0.00 C ATOM 871 ND1 HIS A 51 -4.752 -0.195 1.324 1.00 0.00 N ATOM 872 CD2 HIS A 51 -3.496 -1.805 2.145 1.00 0.00 C ATOM 873 CE1 HIS A 51 -5.381 -1.346 1.134 1.00 0.00 C ATOM 874 NE2 HIS A 51 -4.601 -2.342 1.645 1.00 0.00 N ATOM 0 H HIS A 51 -0.449 2.532 0.846 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.745 -0.139 1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.222 0.458 3.355 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.095 1.591 2.342 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.688 -2.346 2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.342 -1.473 0.658 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.830 -3.336 1.643 1.00 0.00 H new ATOM 882 N ALA A 52 -2.799 1.417 -0.408 1.00 0.00 N ATOM 883 CA ALA A 52 -3.279 1.460 -1.778 1.00 0.00 C ATOM 884 C ALA A 52 -4.337 2.558 -1.909 1.00 0.00 C ATOM 885 O ALA A 52 -4.678 3.217 -0.927 1.00 0.00 O ATOM 886 CB ALA A 52 -3.816 0.084 -2.175 1.00 0.00 C ATOM 0 H ALA A 52 -3.328 1.992 0.247 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.465 1.702 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.176 0.117 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.019 -0.655 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.636 -0.192 -1.512 1.00 0.00 H new ATOM 892 N LYS A 53 -4.826 2.722 -3.129 1.00 0.00 N ATOM 893 CA LYS A 53 -5.838 3.729 -3.401 1.00 0.00 C ATOM 894 C LYS A 53 -7.210 3.189 -2.994 1.00 0.00 C ATOM 895 O LYS A 53 -8.068 3.945 -2.538 1.00 0.00 O ATOM 896 CB LYS A 53 -5.764 4.183 -4.860 1.00 0.00 C ATOM 897 CG LYS A 53 -5.927 2.996 -5.812 1.00 0.00 C ATOM 898 CD LYS A 53 -4.758 2.918 -6.797 1.00 0.00 C ATOM 899 CE LYS A 53 -5.062 3.709 -8.071 1.00 0.00 C ATOM 900 NZ LYS A 53 -4.513 5.080 -7.973 1.00 0.00 N ATOM 0 H LYS A 53 -4.540 2.174 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.656 4.623 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.543 4.920 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.808 4.673 -5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.986 2.071 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.864 3.091 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.856 3.310 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.559 1.876 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.632 3.200 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.139 3.753 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.728 5.603 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.942 5.569 -7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.482 5.033 -7.843 1.00 0.00 H new ATOM 913 N VAL A 54 -7.376 1.887 -3.173 1.00 0.00 N ATOM 914 CA VAL A 54 -8.629 1.238 -2.829 1.00 0.00 C ATOM 915 C VAL A 54 -9.795 2.135 -3.249 1.00 0.00 C ATOM 916 O VAL A 54 -10.295 2.925 -2.449 1.00 0.00 O ATOM 917 CB VAL A 54 -8.648 0.891 -1.339 1.00 0.00 C ATOM 918 CG1 VAL A 54 -7.924 1.961 -0.518 1.00 0.00 C ATOM 919 CG2 VAL A 54 -10.081 0.694 -0.840 1.00 0.00 C ATOM 0 H VAL A 54 -6.663 1.264 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.732 0.297 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.115 -0.051 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.952 1.690 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.887 2.033 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.417 2.923 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.066 0.448 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.649 1.612 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.551 -0.119 -1.394 1.00 0.00 H new ATOM 929 N ARG A 55 -10.194 1.984 -4.503 1.00 0.00 N ATOM 930 CA ARG A 55 -11.292 2.771 -5.039 1.00 0.00 C ATOM 931 C ARG A 55 -12.167 1.910 -5.952 1.00 0.00 C ATOM 932 O ARG A 55 -11.777 1.597 -7.077 1.00 0.00 O ATOM 933 CB ARG A 55 -10.773 3.975 -5.829 1.00 0.00 C ATOM 934 CG ARG A 55 -9.726 3.545 -6.859 1.00 0.00 C ATOM 935 CD ARG A 55 -8.907 4.744 -7.341 1.00 0.00 C ATOM 936 NE ARG A 55 -8.762 4.698 -8.813 1.00 0.00 N ATOM 937 CZ ARG A 55 -9.777 4.899 -9.681 1.00 0.00 C ATOM 938 NH1 ARG A 55 -11.022 5.162 -9.229 1.00 0.00 N ATOM 939 NH2 ARG A 55 -9.534 4.835 -10.976 1.00 0.00 N ATOM 0 H ARG A 55 -9.777 1.328 -5.164 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.883 3.131 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.603 4.469 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.338 4.703 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.063 2.800 -6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.219 3.072 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.396 5.672 -7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.924 4.737 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.837 4.502 -9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.201 5.210 -8.226 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.784 5.313 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.590 4.636 -11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.290 4.984 -11.645 1.00 0.00 H new ATOM 952 N LYS A 56 -13.332 1.550 -5.435 1.00 0.00 N ATOM 953 CA LYS A 56 -14.265 0.731 -6.190 1.00 0.00 C ATOM 954 C LYS A 56 -15.687 1.254 -5.974 1.00 0.00 C ATOM 955 O LYS A 56 -15.988 1.829 -4.929 1.00 0.00 O ATOM 956 CB LYS A 56 -14.092 -0.746 -5.832 1.00 0.00 C ATOM 957 CG LYS A 56 -14.416 -0.995 -4.357 1.00 0.00 C ATOM 958 CD LYS A 56 -15.449 -2.113 -4.203 1.00 0.00 C ATOM 959 CE LYS A 56 -14.781 -3.488 -4.268 1.00 0.00 C ATOM 960 NZ LYS A 56 -15.347 -4.287 -5.378 1.00 0.00 N ATOM 0 H LYS A 56 -13.652 1.810 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.057 0.803 -7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.744 -1.354 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.068 -1.057 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.505 -1.261 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.796 -0.079 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.971 -2.003 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.199 -2.031 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.706 -3.371 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.924 -4.014 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.883 -5.217 -5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.368 -4.414 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.188 -3.792 -6.279 1.00 0.00 H new ATOM 973 N HIS A 57 -16.522 1.036 -6.979 1.00 0.00 N ATOM 974 CA HIS A 57 -17.905 1.478 -6.912 1.00 0.00 C ATOM 975 C HIS A 57 -18.758 0.641 -7.867 1.00 0.00 C ATOM 976 O HIS A 57 -19.447 1.185 -8.728 1.00 0.00 O ATOM 977 CB HIS A 57 -18.009 2.979 -7.185 1.00 0.00 C ATOM 978 CG HIS A 57 -17.183 3.832 -6.252 1.00 0.00 C ATOM 979 ND1 HIS A 57 -15.952 4.356 -6.606 1.00 0.00 N ATOM 980 CD2 HIS A 57 -17.425 4.247 -4.975 1.00 0.00 C ATOM 981 CE1 HIS A 57 -15.483 5.052 -5.582 1.00 0.00 C ATOM 982 NE2 HIS A 57 -16.397 4.983 -4.571 1.00 0.00 N ATOM 0 H HIS A 57 -16.268 0.559 -7.844 1.00 0.00 H new ATOM 0 HA HIS A 57 -18.292 1.323 -5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -17.697 3.174 -8.211 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -19.054 3.280 -7.107 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -18.304 4.016 -4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.542 5.581 -5.552 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -16.305 5.424 -3.656 1.00 0.00 H new ATOM 990 N GLN A 58 -18.683 -0.669 -7.682 1.00 0.00 N ATOM 991 CA GLN A 58 -19.440 -1.587 -8.517 1.00 0.00 C ATOM 992 C GLN A 58 -19.446 -1.102 -9.968 1.00 0.00 C ATOM 993 O GLN A 58 -20.374 -0.416 -10.393 1.00 0.00 O ATOM 994 CB GLN A 58 -20.867 -1.758 -7.990 1.00 0.00 C ATOM 995 CG GLN A 58 -21.507 -0.401 -7.691 1.00 0.00 C ATOM 996 CD GLN A 58 -22.955 -0.569 -7.225 1.00 0.00 C ATOM 997 OE1 GLN A 58 -23.279 -1.422 -6.415 1.00 0.00 O ATOM 998 NE2 GLN A 58 -23.805 0.291 -7.780 1.00 0.00 N ATOM 0 H GLN A 58 -18.110 -1.117 -6.967 1.00 0.00 H new ATOM 0 HA GLN A 58 -18.956 -2.563 -8.482 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -21.468 -2.294 -8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -20.854 -2.365 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -20.931 0.115 -6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -21.479 0.223 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -23.467 0.980 -8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -24.794 0.261 -7.534 1.00 0.00 H new ATOM 1007 N ARG A 59 -18.400 -1.479 -10.688 1.00 0.00 N ATOM 1008 CA ARG A 59 -18.273 -1.092 -12.083 1.00 0.00 C ATOM 1009 C ARG A 59 -18.292 -2.330 -12.982 1.00 0.00 C ATOM 1010 O ARG A 59 -17.340 -2.582 -13.718 1.00 0.00 O ATOM 1011 CB ARG A 59 -16.977 -0.316 -12.323 1.00 0.00 C ATOM 1012 CG ARG A 59 -15.754 -1.174 -11.992 1.00 0.00 C ATOM 1013 CD ARG A 59 -14.815 -0.443 -11.031 1.00 0.00 C ATOM 1014 NE ARG A 59 -13.473 -1.066 -11.064 1.00 0.00 N ATOM 1015 CZ ARG A 59 -12.504 -0.730 -11.943 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -12.721 0.227 -12.870 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -11.341 -1.352 -11.881 1.00 0.00 N ATOM 0 H ARG A 59 -17.632 -2.048 -10.332 1.00 0.00 H new ATOM 0 HA ARG A 59 -19.119 -0.449 -12.327 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.929 0.006 -13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.970 0.585 -11.710 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.076 -2.115 -11.546 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.220 -1.422 -12.909 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.744 0.609 -11.308 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.217 -0.479 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.267 -1.794 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.622 0.703 -12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.984 0.474 -13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.185 -2.074 -11.177 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.598 -1.111 -12.537 1.00 0.00 H new ATOM 1030 N LYS A 60 -19.387 -3.071 -12.892 1.00 0.00 N ATOM 1031 CA LYS A 60 -19.543 -4.276 -13.687 1.00 0.00 C ATOM 1032 C LYS A 60 -21.015 -4.692 -13.693 1.00 0.00 C ATOM 1033 O LYS A 60 -21.331 -5.872 -13.549 1.00 0.00 O ATOM 1034 CB LYS A 60 -18.596 -5.371 -13.192 1.00 0.00 C ATOM 1035 CG LYS A 60 -18.873 -5.713 -11.726 1.00 0.00 C ATOM 1036 CD LYS A 60 -18.191 -4.713 -10.791 1.00 0.00 C ATOM 1037 CE LYS A 60 -17.329 -5.433 -9.753 1.00 0.00 C ATOM 1038 NZ LYS A 60 -17.994 -5.423 -8.431 1.00 0.00 N ATOM 0 H LYS A 60 -20.175 -2.859 -12.280 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.261 -4.088 -14.723 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -18.714 -6.264 -13.806 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.563 -5.041 -13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.948 -5.710 -11.545 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.516 -6.720 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.572 -4.030 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -18.945 -4.109 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.151 -6.461 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.355 -4.948 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.484 -6.055 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.990 -4.456 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.976 -5.751 -8.534 1.00 0.00 H new ATOM 1051 N PHE A 61 -21.877 -3.700 -13.859 1.00 0.00 N ATOM 1052 CA PHE A 61 -23.309 -3.948 -13.884 1.00 0.00 C ATOM 1053 C PHE A 61 -23.792 -4.224 -15.309 1.00 0.00 C ATOM 1054 O PHE A 61 -23.153 -3.812 -16.276 1.00 0.00 O ATOM 1055 CB PHE A 61 -23.991 -2.682 -13.363 1.00 0.00 C ATOM 1056 CG PHE A 61 -24.956 -2.928 -12.202 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -24.499 -3.470 -11.041 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -26.271 -2.605 -12.329 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -25.394 -3.699 -9.963 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -27.166 -2.834 -11.251 1.00 0.00 C ATOM 1061 CZ PHE A 61 -26.709 -3.376 -10.091 1.00 0.00 C ATOM 0 H PHE A 61 -21.612 -2.722 -13.978 1.00 0.00 H new ATOM 0 HA PHE A 61 -23.547 -4.819 -13.273 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -23.226 -1.975 -13.042 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -24.536 -2.212 -14.182 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -23.455 -3.726 -10.939 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -26.635 -2.174 -13.250 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.031 -4.130 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -28.210 -2.578 -11.352 1.00 0.00 H new ATOM 0 HZ PHE A 61 -27.390 -3.550 -9.271 1.00 0.00 H new ATOM 1071 N LEU A 62 -24.916 -4.919 -15.395 1.00 0.00 N ATOM 1072 CA LEU A 62 -25.492 -5.255 -16.686 1.00 0.00 C ATOM 1073 C LEU A 62 -26.978 -4.890 -16.686 1.00 0.00 C ATOM 1074 O LEU A 62 -27.612 -4.850 -15.633 1.00 0.00 O ATOM 1075 CB LEU A 62 -25.219 -6.721 -17.029 1.00 0.00 C ATOM 1076 CG LEU A 62 -26.170 -7.745 -16.406 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -26.570 -8.813 -17.425 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -25.564 -8.357 -15.142 1.00 0.00 C ATOM 0 H LEU A 62 -25.444 -5.259 -14.591 1.00 0.00 H new ATOM 0 HA LEU A 62 -25.020 -4.673 -17.478 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -25.256 -6.833 -18.113 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -24.203 -6.963 -16.718 1.00 0.00 H new ATOM 0 HG LEU A 62 -27.082 -7.227 -16.108 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -27.246 -9.528 -16.956 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -27.071 -8.340 -18.270 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -25.679 -9.333 -17.776 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -26.260 -9.081 -14.719 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.628 -8.856 -15.392 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -25.372 -7.570 -14.413 1.00 0.00 H new ATOM 1090 N GLN A 63 -27.491 -4.633 -17.881 1.00 0.00 N ATOM 1091 CA GLN A 63 -28.890 -4.273 -18.033 1.00 0.00 C ATOM 1092 C GLN A 63 -29.581 -5.225 -19.011 1.00 0.00 C ATOM 1093 O GLN A 63 -30.680 -5.707 -18.743 1.00 0.00 O ATOM 1094 CB GLN A 63 -29.036 -2.819 -18.488 1.00 0.00 C ATOM 1095 CG GLN A 63 -29.174 -1.881 -17.288 1.00 0.00 C ATOM 1096 CD GLN A 63 -30.561 -2.002 -16.653 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -30.817 -2.853 -15.817 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -31.439 -1.107 -17.096 1.00 0.00 N ATOM 0 H GLN A 63 -26.962 -4.667 -18.753 1.00 0.00 H new ATOM 0 HA GLN A 63 -29.376 -4.366 -17.062 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -28.168 -2.531 -19.081 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -29.910 -2.722 -19.133 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -28.410 -2.117 -16.548 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.004 -0.852 -17.605 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -31.159 -0.422 -17.797 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -32.393 -1.106 -16.734 1.00 0.00 H new ATOM 1107 N ALA A 64 -28.906 -5.469 -20.125 1.00 0.00 N ATOM 1108 CA ALA A 64 -29.441 -6.356 -21.145 1.00 0.00 C ATOM 1109 C ALA A 64 -28.285 -7.045 -21.872 1.00 0.00 C ATOM 1110 O ALA A 64 -27.612 -7.903 -21.303 1.00 0.00 O ATOM 1111 CB ALA A 64 -30.336 -5.559 -22.096 1.00 0.00 C ATOM 0 H ALA A 64 -27.994 -5.068 -20.344 1.00 0.00 H new ATOM 0 HA ALA A 64 -30.057 -7.134 -20.693 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -30.737 -6.224 -22.861 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -31.158 -5.114 -21.535 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -29.752 -4.771 -22.571 1.00 0.00 H new ATOM 1117 N ILE A 65 -28.090 -6.643 -23.120 1.00 0.00 N ATOM 1118 CA ILE A 65 -27.027 -7.212 -23.931 1.00 0.00 C ATOM 1119 C ILE A 65 -26.250 -6.082 -24.611 1.00 0.00 C ATOM 1120 O ILE A 65 -25.537 -5.329 -23.950 1.00 0.00 O ATOM 1121 CB ILE A 65 -27.592 -8.244 -24.909 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -28.352 -9.344 -24.166 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -26.489 -8.813 -25.804 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -29.018 -10.310 -25.148 1.00 0.00 C ATOM 0 H ILE A 65 -28.650 -5.931 -23.589 1.00 0.00 H new ATOM 0 HA ILE A 65 -26.319 -7.755 -23.304 1.00 0.00 H new ATOM 0 HB ILE A 65 -28.307 -7.742 -25.560 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -27.666 -9.892 -23.520 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -29.108 -8.896 -23.521 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -26.918 -9.544 -26.490 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -26.031 -8.005 -26.375 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -25.732 -9.296 -25.186 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -29.551 -11.082 -24.594 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -29.721 -9.763 -25.776 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -28.257 -10.774 -25.775 1.00 0.00 H new ATOM 1136 N HIS A 66 -26.415 -6.000 -25.923 1.00 0.00 N ATOM 1137 CA HIS A 66 -25.738 -4.974 -26.699 1.00 0.00 C ATOM 1138 C HIS A 66 -26.558 -3.683 -26.669 1.00 0.00 C ATOM 1139 O HIS A 66 -26.824 -3.088 -27.712 1.00 0.00 O ATOM 1140 CB HIS A 66 -25.458 -5.466 -28.121 1.00 0.00 C ATOM 1141 CG HIS A 66 -24.002 -5.402 -28.517 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -23.039 -6.231 -27.970 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -23.357 -4.600 -29.412 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -21.870 -5.933 -28.517 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -22.069 -4.921 -29.410 1.00 0.00 N ATOM 0 H HIS A 66 -27.007 -6.627 -26.468 1.00 0.00 H new ATOM 0 HA HIS A 66 -24.767 -4.757 -26.254 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -25.804 -6.495 -28.213 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -26.041 -4.870 -28.822 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -23.816 -3.834 -30.019 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -20.926 -6.408 -28.295 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -21.347 -4.483 -29.982 1.00 0.00 H new ATOM 1153 N GLN A 67 -26.936 -3.288 -25.462 1.00 0.00 N ATOM 1154 CA GLN A 67 -27.721 -2.078 -25.282 1.00 0.00 C ATOM 1155 C GLN A 67 -28.965 -2.115 -26.172 1.00 0.00 C ATOM 1156 O GLN A 67 -29.129 -3.029 -26.979 1.00 0.00 O ATOM 1157 CB GLN A 67 -26.880 -0.832 -25.568 1.00 0.00 C ATOM 1158 CG GLN A 67 -27.077 0.224 -24.479 1.00 0.00 C ATOM 1159 CD GLN A 67 -26.418 1.547 -24.872 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -25.274 1.599 -25.294 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -27.200 2.611 -24.711 1.00 0.00 N ATOM 0 H GLN A 67 -26.713 -3.784 -24.599 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.043 -2.029 -24.242 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -25.827 -1.106 -25.628 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.157 -0.416 -26.537 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -28.142 0.381 -24.308 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -26.653 -0.133 -23.541 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -28.148 2.497 -24.353 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -26.851 3.540 -24.946 1.00 0.00 H new ATOM 1170 N LEU A 68 -29.810 -1.110 -25.994 1.00 0.00 N ATOM 1171 CA LEU A 68 -31.035 -1.016 -26.771 1.00 0.00 C ATOM 1172 C LEU A 68 -31.772 -2.356 -26.717 1.00 0.00 C ATOM 1173 O LEU A 68 -31.382 -3.253 -25.971 1.00 0.00 O ATOM 1174 CB LEU A 68 -30.733 -0.538 -28.192 1.00 0.00 C ATOM 1175 CG LEU A 68 -30.239 0.905 -28.324 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -28.857 0.954 -28.978 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -31.259 1.767 -29.072 1.00 0.00 C ATOM 0 H LEU A 68 -29.671 -0.354 -25.324 1.00 0.00 H new ATOM 0 HA LEU A 68 -31.701 -0.267 -26.342 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -29.982 -1.199 -28.625 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -31.637 -0.648 -28.791 1.00 0.00 H new ATOM 0 HG LEU A 68 -30.136 1.324 -27.323 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -28.530 1.990 -29.060 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -28.146 0.396 -28.369 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -28.909 0.511 -29.972 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -30.884 2.787 -29.152 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -31.418 1.359 -30.070 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -32.203 1.769 -28.527 1.00 0.00 H new ATOM 1189 N ARG A 69 -32.824 -2.449 -27.517 1.00 0.00 N ATOM 1190 CA ARG A 69 -33.619 -3.664 -27.569 1.00 0.00 C ATOM 1191 C ARG A 69 -34.654 -3.572 -28.692 1.00 0.00 C ATOM 1192 O ARG A 69 -35.565 -2.747 -28.636 1.00 0.00 O ATOM 1193 CB ARG A 69 -34.337 -3.910 -26.241 1.00 0.00 C ATOM 1194 CG ARG A 69 -35.333 -2.788 -25.940 1.00 0.00 C ATOM 1195 CD ARG A 69 -35.707 -2.769 -24.456 1.00 0.00 C ATOM 1196 NE ARG A 69 -36.530 -1.577 -24.157 1.00 0.00 N ATOM 1197 CZ ARG A 69 -36.615 -1.003 -22.938 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -35.927 -1.508 -21.892 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -37.382 0.060 -22.783 1.00 0.00 N ATOM 0 H ARG A 69 -33.144 -1.703 -28.134 1.00 0.00 H new ATOM 0 HA ARG A 69 -32.942 -4.496 -27.761 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -34.860 -4.865 -26.278 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -33.606 -3.978 -25.435 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -34.901 -1.828 -26.222 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -36.231 -2.923 -26.543 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -36.257 -3.674 -24.199 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -34.804 -2.760 -23.845 1.00 0.00 H new ATOM 0 HE ARG A 69 -37.067 -1.163 -24.919 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -35.337 -2.330 -22.019 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -35.997 -1.067 -20.975 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -37.899 0.436 -23.578 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -37.457 0.506 -21.869 1.00 0.00 H new ATOM 1212 N SER A 70 -34.481 -4.432 -29.685 1.00 0.00 N ATOM 1213 CA SER A 70 -35.389 -4.459 -30.819 1.00 0.00 C ATOM 1214 C SER A 70 -35.267 -3.159 -31.618 1.00 0.00 C ATOM 1215 O SER A 70 -35.483 -2.074 -31.081 1.00 0.00 O ATOM 1216 CB SER A 70 -36.834 -4.668 -30.363 1.00 0.00 C ATOM 1217 OG SER A 70 -36.949 -5.736 -29.427 1.00 0.00 O ATOM 0 H SER A 70 -33.725 -5.116 -29.728 1.00 0.00 H new ATOM 0 HA SER A 70 -35.113 -5.298 -31.458 1.00 0.00 H new ATOM 0 HB2 SER A 70 -37.208 -3.749 -29.912 1.00 0.00 H new ATOM 0 HB3 SER A 70 -37.461 -4.876 -31.230 1.00 0.00 H new ATOM 0 HG SER A 70 -37.886 -5.837 -29.159 1.00 0.00 H new ATOM 1223 N VAL A 71 -34.921 -3.313 -32.888 1.00 0.00 N ATOM 1224 CA VAL A 71 -34.768 -2.166 -33.766 1.00 0.00 C ATOM 1225 C VAL A 71 -35.936 -2.124 -34.752 1.00 0.00 C ATOM 1226 O VAL A 71 -35.739 -2.254 -35.959 1.00 0.00 O ATOM 1227 CB VAL A 71 -33.403 -2.214 -34.456 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -33.173 -0.960 -35.303 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -32.279 -2.401 -33.436 1.00 0.00 C ATOM 0 H VAL A 71 -34.742 -4.215 -33.330 1.00 0.00 H new ATOM 0 HA VAL A 71 -34.795 -1.240 -33.192 1.00 0.00 H new ATOM 0 HB VAL A 71 -33.395 -3.076 -35.124 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -32.196 -1.019 -35.783 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -33.948 -0.889 -36.066 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -33.211 -0.078 -34.664 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -31.320 -2.432 -33.953 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -32.285 -1.569 -32.731 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -32.430 -3.335 -32.895 1.00 0.00 H new ATOM 1239 N LYS A 72 -37.128 -1.942 -34.202 1.00 0.00 N ATOM 1240 CA LYS A 72 -38.328 -1.882 -35.018 1.00 0.00 C ATOM 1241 C LYS A 72 -39.523 -1.515 -34.135 1.00 0.00 C ATOM 1242 O LYS A 72 -40.461 -2.298 -33.998 1.00 0.00 O ATOM 1243 CB LYS A 72 -38.514 -3.187 -35.794 1.00 0.00 C ATOM 1244 CG LYS A 72 -38.834 -4.346 -34.848 1.00 0.00 C ATOM 1245 CD LYS A 72 -38.383 -5.681 -35.445 1.00 0.00 C ATOM 1246 CE LYS A 72 -39.116 -6.851 -34.786 1.00 0.00 C ATOM 1247 NZ LYS A 72 -39.233 -7.987 -35.729 1.00 0.00 N ATOM 0 H LYS A 72 -37.288 -1.834 -33.200 1.00 0.00 H new ATOM 0 HA LYS A 72 -38.237 -1.100 -35.772 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -39.320 -3.072 -36.519 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -37.608 -3.412 -36.357 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -38.339 -4.186 -33.890 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -39.906 -4.375 -34.652 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -38.573 -5.686 -36.518 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -37.308 -5.799 -35.311 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -38.579 -7.167 -33.892 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -40.108 -6.533 -34.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -39.733 -8.773 -35.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -39.765 -7.686 -36.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -38.283 -8.301 -36.014 1.00 0.00 H new ATOM 1260 N MET A 73 -39.448 -0.325 -33.559 1.00 0.00 N ATOM 1261 CA MET A 73 -40.512 0.155 -32.693 1.00 0.00 C ATOM 1262 C MET A 73 -41.085 1.477 -33.209 1.00 0.00 C ATOM 1263 O MET A 73 -40.454 2.159 -34.014 1.00 0.00 O ATOM 1264 CB MET A 73 -39.967 0.353 -31.277 1.00 0.00 C ATOM 1265 CG MET A 73 -38.924 1.472 -31.242 1.00 0.00 C ATOM 1266 SD MET A 73 -39.330 2.645 -29.960 1.00 0.00 S ATOM 1267 CE MET A 73 -37.749 3.451 -29.765 1.00 0.00 C ATOM 0 H MET A 73 -38.667 0.321 -33.675 1.00 0.00 H new ATOM 0 HA MET A 73 -41.311 -0.587 -32.685 1.00 0.00 H new ATOM 0 HB2 MET A 73 -40.786 0.593 -30.599 1.00 0.00 H new ATOM 0 HB3 MET A 73 -39.521 -0.576 -30.922 1.00 0.00 H new ATOM 0 HG2 MET A 73 -37.934 1.052 -31.062 1.00 0.00 H new ATOM 0 HG3 MET A 73 -38.886 1.975 -32.208 1.00 0.00 H new ATOM 0 HE1 MET A 73 -37.825 4.219 -28.995 1.00 0.00 H new ATOM 0 HE2 MET A 73 -37.000 2.716 -29.471 1.00 0.00 H new ATOM 0 HE3 MET A 73 -37.456 3.911 -30.709 1.00 0.00 H new ATOM 1277 N GLU A 74 -42.275 1.798 -32.723 1.00 0.00 N ATOM 1278 CA GLU A 74 -42.941 3.026 -33.125 1.00 0.00 C ATOM 1279 C GLU A 74 -43.353 2.948 -34.596 1.00 0.00 C ATOM 1280 O GLU A 74 -42.656 2.344 -35.410 1.00 0.00 O ATOM 1281 CB GLU A 74 -42.049 4.242 -32.869 1.00 0.00 C ATOM 1282 CG GLU A 74 -42.706 5.206 -31.879 1.00 0.00 C ATOM 1283 CD GLU A 74 -43.681 6.145 -32.593 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -43.385 7.338 -32.757 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -44.780 5.595 -32.986 1.00 0.00 O ATOM 0 H GLU A 74 -42.795 1.229 -32.055 1.00 0.00 H new ATOM 0 HA GLU A 74 -43.841 3.144 -32.521 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.085 3.915 -32.478 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.853 4.758 -33.809 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -43.236 4.641 -31.112 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -41.939 5.790 -31.371 1.00 0.00 H new ATOM 1293 N GLN A 75 -44.486 3.569 -34.894 1.00 0.00 N ATOM 1294 CA GLN A 75 -45.000 3.578 -36.253 1.00 0.00 C ATOM 1295 C GLN A 75 -45.610 4.942 -36.580 1.00 0.00 C ATOM 1296 O GLN A 75 -45.754 5.789 -35.700 1.00 0.00 O ATOM 1297 CB GLN A 75 -46.019 2.456 -36.461 1.00 0.00 C ATOM 1298 CG GLN A 75 -45.438 1.342 -37.333 1.00 0.00 C ATOM 1299 CD GLN A 75 -46.508 0.308 -37.687 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -46.487 -0.825 -37.235 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -47.443 0.759 -38.519 1.00 0.00 N ATOM 0 H GLN A 75 -45.062 4.069 -34.217 1.00 0.00 H new ATOM 0 HA GLN A 75 -44.170 3.400 -36.937 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -46.318 2.048 -35.495 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -46.917 2.858 -36.929 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -45.024 1.769 -38.246 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -44.616 0.855 -36.808 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -47.402 1.719 -38.860 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -48.201 0.145 -38.815 1.00 0.00 H new ATOM 1310 N ARG A 76 -45.954 5.112 -37.849 1.00 0.00 N ATOM 1311 CA ARG A 76 -46.546 6.358 -38.303 1.00 0.00 C ATOM 1312 C ARG A 76 -47.001 6.230 -39.758 1.00 0.00 C ATOM 1313 O ARG A 76 -46.629 5.282 -40.447 1.00 0.00 O ATOM 1314 CB ARG A 76 -45.551 7.515 -38.187 1.00 0.00 C ATOM 1315 CG ARG A 76 -44.338 7.288 -39.091 1.00 0.00 C ATOM 1316 CD ARG A 76 -43.509 8.567 -39.228 1.00 0.00 C ATOM 1317 NE ARG A 76 -42.363 8.332 -40.134 1.00 0.00 N ATOM 1318 CZ ARG A 76 -41.164 7.860 -39.731 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -40.945 7.567 -38.431 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -40.209 7.689 -40.626 1.00 0.00 N ATOM 0 H ARG A 76 -45.834 4.407 -38.576 1.00 0.00 H new ATOM 0 HA ARG A 76 -47.406 6.568 -37.667 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -46.042 8.450 -38.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.224 7.616 -37.152 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -43.718 6.491 -38.680 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -44.670 6.959 -40.075 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -44.131 9.374 -39.616 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -43.150 8.884 -38.249 1.00 0.00 H new ATOM 0 HE ARG A 76 -42.487 8.540 -41.125 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -41.688 7.702 -37.746 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -40.036 7.211 -38.135 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -40.382 7.913 -41.606 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -39.298 7.333 -40.338 1.00 0.00 H new ATOM 1333 N LYS A 77 -47.800 7.199 -40.182 1.00 0.00 N ATOM 1334 CA LYS A 77 -48.309 7.206 -41.543 1.00 0.00 C ATOM 1335 C LYS A 77 -48.339 8.644 -42.064 1.00 0.00 C ATOM 1336 O LYS A 77 -48.066 9.584 -41.319 1.00 0.00 O ATOM 1337 CB LYS A 77 -49.665 6.500 -41.611 1.00 0.00 C ATOM 1338 CG LYS A 77 -50.746 7.318 -40.902 1.00 0.00 C ATOM 1339 CD LYS A 77 -51.211 6.620 -39.623 1.00 0.00 C ATOM 1340 CE LYS A 77 -52.627 6.063 -39.785 1.00 0.00 C ATOM 1341 NZ LYS A 77 -53.572 6.784 -38.903 1.00 0.00 N ATOM 0 H LYS A 77 -48.107 7.984 -39.607 1.00 0.00 H new ATOM 0 HA LYS A 77 -47.647 6.642 -42.200 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -49.946 6.345 -42.653 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -49.589 5.515 -41.151 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -50.358 8.308 -40.660 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -51.595 7.463 -41.571 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -50.524 5.810 -39.376 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -51.186 7.324 -38.791 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -52.945 6.158 -40.823 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -52.636 5.000 -39.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -54.528 6.393 -39.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -53.277 6.672 -37.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -53.576 7.794 -39.151 1.00 0.00 H new ATOM 1354 N LEU A 78 -48.672 8.771 -43.340 1.00 0.00 N ATOM 1355 CA LEU A 78 -48.741 10.079 -43.970 1.00 0.00 C ATOM 1356 C LEU A 78 -49.175 9.916 -45.428 1.00 0.00 C ATOM 1357 O LEU A 78 -49.986 10.694 -45.928 1.00 0.00 O ATOM 1358 CB LEU A 78 -47.415 10.824 -43.803 1.00 0.00 C ATOM 1359 CG LEU A 78 -46.148 9.976 -43.929 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -45.476 10.193 -45.287 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -45.190 10.243 -42.767 1.00 0.00 C ATOM 0 H LEU A 78 -48.897 7.989 -43.955 1.00 0.00 H new ATOM 0 HA LEU A 78 -49.493 10.698 -43.481 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -47.372 11.619 -44.548 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.411 11.303 -42.824 1.00 0.00 H new ATOM 0 HG LEU A 78 -46.434 8.926 -43.875 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -44.578 9.579 -45.351 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -46.165 9.912 -46.083 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -45.206 11.243 -45.395 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -44.298 9.627 -42.882 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -44.906 11.295 -42.764 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -45.682 9.997 -41.826 1.00 0.00 H new ATOM 1373 N ASN A 79 -48.615 8.900 -46.069 1.00 0.00 N ATOM 1374 CA ASN A 79 -48.935 8.625 -47.459 1.00 0.00 C ATOM 1375 C ASN A 79 -50.248 7.843 -47.532 1.00 0.00 C ATOM 1376 O ASN A 79 -50.304 6.773 -48.135 1.00 0.00 O ATOM 1377 CB ASN A 79 -47.844 7.779 -48.118 1.00 0.00 C ATOM 1378 CG ASN A 79 -46.718 8.662 -48.661 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -46.150 9.487 -47.964 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -46.428 8.443 -49.940 1.00 0.00 N ATOM 0 H ASN A 79 -47.942 8.258 -45.651 1.00 0.00 H new ATOM 0 HA ASN A 79 -49.017 9.579 -47.980 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -47.439 7.072 -47.393 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -48.274 7.192 -48.930 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -45.691 8.981 -50.395 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -46.943 7.737 -50.466 1.00 0.00 H new ATOM 1387 N ASP A 80 -51.271 8.408 -46.908 1.00 0.00 N ATOM 1388 CA ASP A 80 -52.580 7.777 -46.894 1.00 0.00 C ATOM 1389 C ASP A 80 -53.660 8.849 -47.048 1.00 0.00 C ATOM 1390 O ASP A 80 -54.131 9.408 -46.059 1.00 0.00 O ATOM 1391 CB ASP A 80 -52.825 7.046 -45.572 1.00 0.00 C ATOM 1392 CG ASP A 80 -54.205 6.400 -45.437 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -54.868 6.522 -44.395 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -54.603 5.740 -46.471 1.00 0.00 O ATOM 0 H ASP A 80 -51.220 9.296 -46.408 1.00 0.00 H new ATOM 0 HA ASP A 80 -52.618 7.061 -47.715 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -52.066 6.273 -45.455 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -52.689 7.752 -44.753 1.00 0.00 H new ATOM 1400 N GLN A 81 -54.021 9.105 -48.297 1.00 0.00 N ATOM 1401 CA GLN A 81 -55.037 10.100 -48.594 1.00 0.00 C ATOM 1402 C GLN A 81 -56.389 9.425 -48.829 1.00 0.00 C ATOM 1403 O GLN A 81 -56.465 8.202 -48.943 1.00 0.00 O ATOM 1404 CB GLN A 81 -54.633 10.953 -49.798 1.00 0.00 C ATOM 1405 CG GLN A 81 -54.592 10.113 -51.076 1.00 0.00 C ATOM 1406 CD GLN A 81 -53.265 10.303 -51.815 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -53.166 11.032 -52.788 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -52.255 9.607 -51.299 1.00 0.00 N ATOM 0 H GLN A 81 -53.628 8.640 -49.115 1.00 0.00 H new ATOM 0 HA GLN A 81 -55.130 10.764 -47.735 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -55.340 11.774 -49.920 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -53.654 11.399 -49.620 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -54.727 9.060 -50.828 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -55.419 10.395 -51.728 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -52.408 9.015 -50.482 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -51.328 9.665 -51.720 1.00 0.00 H new ATOM 1417 N ALA A 82 -57.423 10.250 -48.895 1.00 0.00 N ATOM 1418 CA ALA A 82 -58.769 9.748 -49.114 1.00 0.00 C ATOM 1419 C ALA A 82 -58.912 9.304 -50.571 1.00 0.00 C ATOM 1420 O ALA A 82 -59.770 8.484 -50.893 1.00 0.00 O ATOM 1421 CB ALA A 82 -59.785 10.826 -48.730 1.00 0.00 C ATOM 0 H ALA A 82 -57.356 11.263 -48.801 1.00 0.00 H new ATOM 0 HA ALA A 82 -58.962 8.879 -48.484 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -60.795 10.449 -48.894 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -59.661 11.085 -47.678 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -59.624 11.713 -49.343 1.00 0.00 H new ATOM 1427 N ASN A 83 -58.058 9.867 -51.414 1.00 0.00 N ATOM 1428 CA ASN A 83 -58.078 9.539 -52.830 1.00 0.00 C ATOM 1429 C ASN A 83 -59.428 9.947 -53.424 1.00 0.00 C ATOM 1430 O ASN A 83 -60.463 9.813 -52.773 1.00 0.00 O ATOM 1431 CB ASN A 83 -57.900 8.036 -53.050 1.00 0.00 C ATOM 1432 CG ASN A 83 -57.611 7.727 -54.520 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -58.407 7.125 -55.223 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -56.432 8.172 -54.944 1.00 0.00 N ATOM 0 H ASN A 83 -57.348 10.548 -51.144 1.00 0.00 H new ATOM 0 HA ASN A 83 -57.259 10.073 -53.312 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -57.082 7.669 -52.430 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -58.801 7.510 -52.734 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -56.146 8.017 -55.911 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -55.814 8.669 -54.303 1.00 0.00 H new ATOM 1441 N THR A 84 -59.373 10.438 -54.654 1.00 0.00 N ATOM 1442 CA THR A 84 -60.578 10.867 -55.343 1.00 0.00 C ATOM 1443 C THR A 84 -61.535 11.553 -54.367 1.00 0.00 C ATOM 1444 O THR A 84 -62.405 10.905 -53.786 1.00 0.00 O ATOM 1445 CB THR A 84 -61.187 9.645 -56.034 1.00 0.00 C ATOM 1446 OG1 THR A 84 -60.057 8.878 -56.442 1.00 0.00 O ATOM 1447 CG2 THR A 84 -61.887 10.004 -57.346 1.00 0.00 C ATOM 0 H THR A 84 -58.513 10.548 -55.191 1.00 0.00 H new ATOM 0 HA THR A 84 -60.354 11.612 -56.106 1.00 0.00 H new ATOM 0 HB THR A 84 -61.898 9.165 -55.362 1.00 0.00 H new ATOM 0 HG1 THR A 84 -59.797 8.269 -55.720 1.00 0.00 H new ATOM 0 HG21 THR A 84 -62.302 9.102 -57.796 1.00 0.00 H new ATOM 0 HG22 THR A 84 -62.691 10.713 -57.147 1.00 0.00 H new ATOM 0 HG23 THR A 84 -61.168 10.453 -58.031 1.00 0.00 H new ATOM 1455 N LEU A 85 -61.343 12.855 -54.216 1.00 0.00 N ATOM 1456 CA LEU A 85 -62.178 13.636 -53.320 1.00 0.00 C ATOM 1457 C LEU A 85 -63.075 14.562 -54.144 1.00 0.00 C ATOM 1458 O LEU A 85 -64.003 15.169 -53.611 1.00 0.00 O ATOM 1459 CB LEU A 85 -61.319 14.370 -52.289 1.00 0.00 C ATOM 1460 CG LEU A 85 -60.344 15.409 -52.846 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -60.651 16.802 -52.293 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -58.894 14.996 -52.586 1.00 0.00 C ATOM 0 H LEU A 85 -60.621 13.389 -54.700 1.00 0.00 H new ATOM 0 HA LEU A 85 -62.835 12.983 -52.746 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -61.982 14.866 -51.580 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -60.749 13.630 -51.728 1.00 0.00 H new ATOM 0 HG LEU A 85 -60.476 15.456 -53.927 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -59.943 17.521 -52.705 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -61.665 17.089 -52.573 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -60.564 16.789 -51.207 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -58.222 15.752 -52.992 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -58.729 14.903 -51.513 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -58.696 14.038 -53.068 1.00 0.00 H new ATOM 1474 N VAL A 86 -62.767 14.642 -55.430 1.00 0.00 N ATOM 1475 CA VAL A 86 -63.534 15.483 -56.332 1.00 0.00 C ATOM 1476 C VAL A 86 -64.076 14.631 -57.482 1.00 0.00 C ATOM 1477 O VAL A 86 -65.026 13.871 -57.301 1.00 0.00 O ATOM 1478 CB VAL A 86 -62.675 16.656 -56.811 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -63.405 17.469 -57.882 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -62.257 17.544 -55.638 1.00 0.00 C ATOM 0 H VAL A 86 -61.996 14.138 -55.869 1.00 0.00 H new ATOM 0 HA VAL A 86 -64.391 15.914 -55.815 1.00 0.00 H new ATOM 0 HB VAL A 86 -61.770 16.247 -57.260 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -62.773 18.296 -58.205 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -63.629 16.829 -58.735 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -64.334 17.862 -57.470 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -61.648 18.370 -56.006 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -63.146 17.940 -55.146 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -61.679 16.956 -54.925 1.00 0.00 H new ATOM 1490 N ASP A 87 -63.448 14.786 -58.638 1.00 0.00 N ATOM 1491 CA ASP A 87 -63.855 14.040 -59.816 1.00 0.00 C ATOM 1492 C ASP A 87 -65.329 14.324 -60.111 1.00 0.00 C ATOM 1493 O ASP A 87 -65.990 15.037 -59.358 1.00 0.00 O ATOM 1494 CB ASP A 87 -63.699 12.534 -59.596 1.00 0.00 C ATOM 1495 CG ASP A 87 -63.255 11.742 -60.828 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -62.852 12.321 -61.848 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -63.335 10.460 -60.710 1.00 0.00 O ATOM 0 H ASP A 87 -62.660 15.417 -58.784 1.00 0.00 H new ATOM 0 HA ASP A 87 -63.221 14.351 -60.647 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -62.974 12.372 -58.798 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -64.651 12.132 -59.248 1.00 0.00 H new ATOM 1503 N LEU A 88 -65.802 13.751 -61.208 1.00 0.00 N ATOM 1504 CA LEU A 88 -67.185 13.934 -61.611 1.00 0.00 C ATOM 1505 C LEU A 88 -67.614 15.371 -61.309 1.00 0.00 C ATOM 1506 O LEU A 88 -68.781 15.626 -61.014 1.00 0.00 O ATOM 1507 CB LEU A 88 -68.078 12.876 -60.959 1.00 0.00 C ATOM 1508 CG LEU A 88 -68.336 13.047 -59.461 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -69.823 13.273 -59.183 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -67.778 11.862 -58.669 1.00 0.00 C ATOM 0 H LEU A 88 -65.251 13.159 -61.830 1.00 0.00 H new ATOM 0 HA LEU A 88 -67.291 13.788 -62.686 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -69.038 12.872 -61.475 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -67.625 11.898 -61.120 1.00 0.00 H new ATOM 0 HG LEU A 88 -67.806 13.938 -59.123 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -69.979 13.391 -58.111 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -70.157 14.173 -59.700 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -70.394 12.416 -59.540 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -67.975 12.009 -57.607 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -68.258 10.942 -59.003 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -66.703 11.789 -58.832 1.00 0.00 H new ATOM 1522 N ALA A 89 -66.648 16.273 -61.394 1.00 0.00 N ATOM 1523 CA ALA A 89 -66.911 17.678 -61.133 1.00 0.00 C ATOM 1524 C ALA A 89 -65.843 18.529 -61.824 1.00 0.00 C ATOM 1525 O ALA A 89 -66.162 19.384 -62.649 1.00 0.00 O ATOM 1526 CB ALA A 89 -66.960 17.917 -59.623 1.00 0.00 C ATOM 0 H ALA A 89 -65.682 16.058 -61.640 1.00 0.00 H new ATOM 0 HA ALA A 89 -67.879 17.969 -61.540 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -67.157 18.971 -59.428 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -67.754 17.312 -59.184 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -66.004 17.639 -59.179 1.00 0.00 H new ATOM 1532 N LYS A 90 -64.596 18.266 -61.461 1.00 0.00 N ATOM 1533 CA LYS A 90 -63.479 18.997 -62.035 1.00 0.00 C ATOM 1534 C LYS A 90 -63.852 20.475 -62.158 1.00 0.00 C ATOM 1535 O LYS A 90 -63.936 21.009 -63.263 1.00 0.00 O ATOM 1536 CB LYS A 90 -63.045 18.360 -63.358 1.00 0.00 C ATOM 1537 CG LYS A 90 -61.732 18.968 -63.854 1.00 0.00 C ATOM 1538 CD LYS A 90 -60.636 17.906 -63.945 1.00 0.00 C ATOM 1539 CE LYS A 90 -59.395 18.457 -64.650 1.00 0.00 C ATOM 1540 NZ LYS A 90 -58.627 19.334 -63.737 1.00 0.00 N ATOM 0 H LYS A 90 -64.335 17.557 -60.776 1.00 0.00 H new ATOM 0 HA LYS A 90 -62.610 18.941 -61.380 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -62.925 17.285 -63.226 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -63.823 18.504 -64.108 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -61.885 19.423 -64.833 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -61.417 19.763 -63.178 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -60.369 17.567 -62.944 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -61.011 17.037 -64.487 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -58.766 17.634 -64.988 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -59.692 19.016 -65.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -57.788 19.700 -64.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -59.225 20.129 -63.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -58.328 18.790 -62.903 1.00 0.00 H new ATOM 1553 N THR A 91 -64.065 21.096 -61.007 1.00 0.00 N ATOM 1554 CA THR A 91 -64.427 22.503 -60.971 1.00 0.00 C ATOM 1555 C THR A 91 -65.403 22.831 -62.103 1.00 0.00 C ATOM 1556 O THR A 91 -65.007 23.384 -63.128 1.00 0.00 O ATOM 1557 CB THR A 91 -63.137 23.324 -61.023 1.00 0.00 C ATOM 1558 OG1 THR A 91 -62.538 22.951 -62.261 1.00 0.00 O ATOM 1559 CG2 THR A 91 -62.120 22.884 -59.969 1.00 0.00 C ATOM 0 H THR A 91 -63.994 20.651 -60.092 1.00 0.00 H new ATOM 0 HA THR A 91 -64.952 22.754 -60.049 1.00 0.00 H new ATOM 0 HB THR A 91 -63.372 24.379 -60.882 1.00 0.00 H new ATOM 0 HG1 THR A 91 -63.227 22.610 -62.869 1.00 0.00 H new ATOM 0 HG21 THR A 91 -61.223 23.499 -60.050 1.00 0.00 H new ATOM 0 HG22 THR A 91 -62.552 23.001 -58.975 1.00 0.00 H new ATOM 0 HG23 THR A 91 -61.859 21.838 -60.130 1.00 0.00 H new ATOM 1567 N GLN A 92 -66.660 22.478 -61.878 1.00 0.00 N ATOM 1568 CA GLN A 92 -67.695 22.728 -62.866 1.00 0.00 C ATOM 1569 C GLN A 92 -68.116 24.199 -62.833 1.00 0.00 C ATOM 1570 O GLN A 92 -68.279 24.825 -63.879 1.00 0.00 O ATOM 1571 CB GLN A 92 -68.898 21.809 -62.645 1.00 0.00 C ATOM 1572 CG GLN A 92 -69.832 21.826 -63.857 1.00 0.00 C ATOM 1573 CD GLN A 92 -70.599 20.508 -63.976 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -70.100 19.512 -64.476 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -71.837 20.556 -63.492 1.00 0.00 N ATOM 0 H GLN A 92 -66.985 22.021 -61.026 1.00 0.00 H new ATOM 0 HA GLN A 92 -67.288 22.508 -63.853 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -68.554 20.791 -62.461 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -69.444 22.126 -61.756 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -70.536 22.654 -63.767 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -69.253 21.997 -64.765 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -72.193 21.422 -63.087 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -72.430 19.727 -63.526 1.00 0.00 H new TER 1584 GLN A 92