USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 716 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: B 12 HIS : no HE2:sc= -4.23! K(o=-10!,f=-8.2) USER MOD Set 1.2: B 13 HIS : no HD1:sc= -5.82! C(o=-10!,f=-9.9!) USER MOD Set 2.1: B 5 HIS : no HD1:sc= -1.25 K(o=-8.6,f=-7.3) USER MOD Set 2.2: B 6 HIS : no HE2:sc= -7.38! K(o=-8.6!,f=-7.3) USER MOD Set 3.1: A 21 GLN : amide:sc= -2.59! K(o=-5.1!,f=-0.51) USER MOD Set 3.2: B 21 GLN : amide:sc= -2.52! K(o=-5.1!,f=-0.51) USER MOD Set 4.1: A 12 HIS : no HE2:sc= -4.21! K(o=-9.9!,f=-8.2) USER MOD Set 4.2: A 13 HIS : no HE2:sc= -5.69! C(o=-9.9!,f=-9.8!) USER MOD Set 5.1: A 5 HIS : no HD1:sc= -1.12 K(o=-8.5,f=-7.2) USER MOD Set 5.2: A 6 HIS : no HE2:sc= -7.43! K(o=-8.5!,f=-7.2) USER MOD Single : A 1 ALA N :NH3+ 143:sc= 0.018 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -4.08! C(o=-4.1!,f=-4.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -3.52 K(o=-3.5,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.000235 X(o=-0.00023,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.1 USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= -0.0163 (180deg=-0.176) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.147 K(o=-0.15,f=-2!) USER MOD Single : A 37 SER OG : rot 75:sc= 0.0241 USER MOD Single : B 1 ALA N :NH3+ 142:sc= 0.0229 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -3.97! C(o=-4!,f=-4.9!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-3.2!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0.0812 USER MOD Single : B 32 LYS NZ :NH3+ 157:sc=-0.00428 (180deg=-0.164) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : B 37 SER OG : rot 75:sc= 0.0268 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.533 14.904 2.343 1.00 0.00 N ATOM 2 CA ALA A 1 -23.383 13.451 2.068 1.00 0.00 C ATOM 3 C ALA A 1 -23.063 12.682 3.345 1.00 0.00 C ATOM 4 O ALA A 1 -22.354 13.181 4.220 1.00 0.00 O ATOM 5 CB ALA A 1 -22.296 13.221 1.028 1.00 0.00 C ATOM 0 H1 ALA A 1 -23.137 15.450 1.551 1.00 0.00 H new ATOM 0 H2 ALA A 1 -24.541 15.134 2.452 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.026 15.146 3.218 1.00 0.00 H new ATOM 0 HA ALA A 1 -24.331 13.080 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -22.196 12.153 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -22.563 13.733 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.349 13.613 1.399 1.00 0.00 H new ATOM 13 N LEU A 2 -23.589 11.467 3.446 1.00 0.00 N ATOM 14 CA LEU A 2 -23.359 10.629 4.617 1.00 0.00 C ATOM 15 C LEU A 2 -23.516 9.153 4.268 1.00 0.00 C ATOM 16 O LEU A 2 -22.531 8.441 4.077 1.00 0.00 O ATOM 17 CB LEU A 2 -24.328 11.005 5.738 1.00 0.00 C ATOM 18 CG LEU A 2 -23.766 11.972 6.783 1.00 0.00 C ATOM 19 CD1 LEU A 2 -24.276 13.383 6.532 1.00 0.00 C ATOM 20 CD2 LEU A 2 -24.134 11.513 8.185 1.00 0.00 C ATOM 0 H LEU A 2 -24.178 11.040 2.731 1.00 0.00 H new ATOM 0 HA LEU A 2 -22.337 10.797 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -25.218 11.451 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -24.647 10.093 6.243 1.00 0.00 H new ATOM 0 HG LEU A 2 -22.679 11.979 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -23.866 14.057 7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -23.963 13.712 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -25.364 13.392 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -23.726 12.212 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -25.219 11.477 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -23.721 10.520 8.363 1.00 0.00 H new ATOM 32 N LYS A 3 -24.763 8.699 4.185 1.00 0.00 N ATOM 33 CA LYS A 3 -25.050 7.307 3.858 1.00 0.00 C ATOM 34 C LYS A 3 -24.507 6.372 4.934 1.00 0.00 C ATOM 35 O LYS A 3 -23.444 6.618 5.505 1.00 0.00 O ATOM 36 CB LYS A 3 -24.446 6.946 2.499 1.00 0.00 C ATOM 37 CG LYS A 3 -25.390 7.186 1.332 1.00 0.00 C ATOM 38 CD LYS A 3 -25.064 8.483 0.609 1.00 0.00 C ATOM 39 CE LYS A 3 -26.310 9.321 0.377 1.00 0.00 C ATOM 40 NZ LYS A 3 -26.315 9.948 -0.974 1.00 0.00 N ATOM 0 H LYS A 3 -25.590 9.275 4.340 1.00 0.00 H new ATOM 0 HA LYS A 3 -26.132 7.186 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -23.538 7.530 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -24.152 5.896 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -25.325 6.352 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.417 7.219 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -24.343 9.055 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -24.592 8.259 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -27.195 8.694 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -26.371 10.099 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.181 10.511 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -25.484 10.566 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.283 9.205 -1.701 1.00 0.00 H new ATOM 54 N LYS A 4 -25.242 5.300 5.206 1.00 0.00 N ATOM 55 CA LYS A 4 -24.836 4.327 6.213 1.00 0.00 C ATOM 56 C LYS A 4 -24.462 2.999 5.566 1.00 0.00 C ATOM 57 O LYS A 4 -23.406 2.434 5.851 1.00 0.00 O ATOM 58 CB LYS A 4 -25.956 4.114 7.234 1.00 0.00 C ATOM 59 CG LYS A 4 -27.352 4.221 6.641 1.00 0.00 C ATOM 60 CD LYS A 4 -28.424 4.054 7.705 1.00 0.00 C ATOM 61 CE LYS A 4 -29.319 5.280 7.791 1.00 0.00 C ATOM 62 NZ LYS A 4 -29.992 5.383 9.115 1.00 0.00 N ATOM 0 H LYS A 4 -26.124 5.082 4.742 1.00 0.00 H new ATOM 0 HA LYS A 4 -23.959 4.721 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -25.839 3.131 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -25.853 4.849 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -27.468 5.190 6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.481 3.460 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -29.029 3.176 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -27.954 3.877 8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -28.725 6.177 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -30.071 5.236 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -30.593 6.232 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -30.579 4.539 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -29.274 5.450 9.865 1.00 0.00 H new ATOM 76 N HIS A 5 -25.333 2.507 4.692 1.00 0.00 N ATOM 77 CA HIS A 5 -25.091 1.244 4.002 1.00 0.00 C ATOM 78 C HIS A 5 -23.724 1.255 3.326 1.00 0.00 C ATOM 79 O HIS A 5 -22.962 0.290 3.421 1.00 0.00 O ATOM 80 CB HIS A 5 -26.186 0.987 2.965 1.00 0.00 C ATOM 81 CG HIS A 5 -26.647 2.223 2.257 1.00 0.00 C ATOM 82 ND1 HIS A 5 -27.826 2.872 2.563 1.00 0.00 N ATOM 83 CD2 HIS A 5 -26.079 2.935 1.253 1.00 0.00 C ATOM 84 CE1 HIS A 5 -27.964 3.926 1.779 1.00 0.00 C ATOM 85 NE2 HIS A 5 -26.918 3.985 0.976 1.00 0.00 N ATOM 0 H HIS A 5 -26.212 2.962 4.444 1.00 0.00 H new ATOM 0 HA HIS A 5 -25.108 0.442 4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -25.816 0.274 2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -27.039 0.522 3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -25.142 2.717 0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -28.791 4.621 1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -26.759 4.697 0.263 1.00 0.00 H new ATOM 94 N HIS A 6 -23.418 2.356 2.648 1.00 0.00 N ATOM 95 CA HIS A 6 -22.142 2.495 1.961 1.00 0.00 C ATOM 96 C HIS A 6 -20.992 2.491 2.958 1.00 0.00 C ATOM 97 O HIS A 6 -20.047 1.725 2.813 1.00 0.00 O ATOM 98 CB HIS A 6 -22.115 3.782 1.132 1.00 0.00 C ATOM 99 CG HIS A 6 -22.378 3.561 -0.325 1.00 0.00 C ATOM 100 ND1 HIS A 6 -23.201 2.562 -0.800 1.00 0.00 N ATOM 101 CD2 HIS A 6 -21.922 4.221 -1.416 1.00 0.00 C ATOM 102 CE1 HIS A 6 -23.240 2.616 -2.120 1.00 0.00 C ATOM 103 NE2 HIS A 6 -22.474 3.613 -2.517 1.00 0.00 N ATOM 0 H HIS A 6 -24.036 3.163 2.560 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.024 1.644 1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.859 4.474 1.526 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.142 4.259 1.249 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -23.702 1.886 -0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -21.250 5.067 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -23.803 1.956 -2.763 1.00 0.00 H new ATOM 112 N GLU A 7 -21.084 3.345 3.971 1.00 0.00 N ATOM 113 CA GLU A 7 -20.052 3.424 4.996 1.00 0.00 C ATOM 114 C GLU A 7 -19.832 2.061 5.652 1.00 0.00 C ATOM 115 O GLU A 7 -18.785 1.815 6.248 1.00 0.00 O ATOM 116 CB GLU A 7 -20.435 4.459 6.056 1.00 0.00 C ATOM 117 CG GLU A 7 -19.469 5.629 6.141 1.00 0.00 C ATOM 118 CD GLU A 7 -19.631 6.426 7.421 1.00 0.00 C ATOM 119 OE1 GLU A 7 -20.618 7.184 7.528 1.00 0.00 O ATOM 120 OE2 GLU A 7 -18.772 6.292 8.317 1.00 0.00 O ATOM 0 H GLU A 7 -21.862 3.991 4.104 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.122 3.732 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.433 4.838 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -20.486 3.969 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.447 5.257 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.624 6.287 5.286 1.00 0.00 H new ATOM 127 N ASN A 8 -20.825 1.179 5.536 1.00 0.00 N ATOM 128 CA ASN A 8 -20.729 -0.157 6.115 1.00 0.00 C ATOM 129 C ASN A 8 -19.768 -1.020 5.305 1.00 0.00 C ATOM 130 O ASN A 8 -18.748 -1.482 5.822 1.00 0.00 O ATOM 131 CB ASN A 8 -22.108 -0.816 6.169 1.00 0.00 C ATOM 132 CG ASN A 8 -23.114 0.010 6.947 1.00 0.00 C ATOM 133 OD1 ASN A 8 -22.745 0.918 7.692 1.00 0.00 O ATOM 134 ND2 ASN A 8 -24.393 -0.303 6.777 1.00 0.00 N ATOM 0 H ASN A 8 -21.701 1.366 5.048 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.345 -0.064 7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.475 -0.968 5.154 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -22.019 -1.801 6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -25.116 0.217 7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -24.653 -1.064 6.149 1.00 0.00 H new ATOM 141 N GLU A 9 -20.085 -1.218 4.028 1.00 0.00 N ATOM 142 CA GLU A 9 -19.228 -2.011 3.151 1.00 0.00 C ATOM 143 C GLU A 9 -17.937 -1.253 2.824 1.00 0.00 C ATOM 144 O GLU A 9 -17.009 -1.810 2.235 1.00 0.00 O ATOM 145 CB GLU A 9 -19.969 -2.360 1.859 1.00 0.00 C ATOM 146 CG GLU A 9 -21.391 -2.848 2.086 1.00 0.00 C ATOM 147 CD GLU A 9 -22.088 -3.231 0.795 1.00 0.00 C ATOM 148 OE1 GLU A 9 -21.981 -2.467 -0.187 1.00 0.00 O ATOM 149 OE2 GLU A 9 -22.742 -4.295 0.766 1.00 0.00 O ATOM 0 H GLU A 9 -20.922 -0.844 3.580 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.968 -2.933 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.994 -1.481 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.410 -3.129 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -21.374 -3.709 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -21.964 -2.067 2.586 1.00 0.00 H new ATOM 156 N ILE A 10 -17.886 0.018 3.220 1.00 0.00 N ATOM 157 CA ILE A 10 -16.729 0.862 2.985 1.00 0.00 C ATOM 158 C ILE A 10 -15.778 0.784 4.175 1.00 0.00 C ATOM 159 O ILE A 10 -14.563 0.913 4.025 1.00 0.00 O ATOM 160 CB ILE A 10 -17.179 2.326 2.738 1.00 0.00 C ATOM 161 CG1 ILE A 10 -17.868 2.439 1.378 1.00 0.00 C ATOM 162 CG2 ILE A 10 -16.017 3.306 2.821 1.00 0.00 C ATOM 163 CD1 ILE A 10 -18.681 3.705 1.217 1.00 0.00 C ATOM 0 H ILE A 10 -18.648 0.486 3.712 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.203 0.510 2.098 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.883 2.590 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.113 2.399 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.520 1.577 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -16.381 4.318 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.566 3.253 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.271 3.050 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.141 3.719 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.459 3.738 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.029 4.572 1.326 1.00 0.00 H new ATOM 175 N SER A 11 -16.343 0.553 5.354 1.00 0.00 N ATOM 176 CA SER A 11 -15.550 0.435 6.566 1.00 0.00 C ATOM 177 C SER A 11 -14.908 -0.943 6.625 1.00 0.00 C ATOM 178 O SER A 11 -13.823 -1.114 7.180 1.00 0.00 O ATOM 179 CB SER A 11 -16.419 0.668 7.804 1.00 0.00 C ATOM 180 OG SER A 11 -16.248 1.982 8.306 1.00 0.00 O ATOM 0 H SER A 11 -17.347 0.444 5.494 1.00 0.00 H new ATOM 0 HA SER A 11 -14.769 1.195 6.551 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.467 0.505 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.160 -0.056 8.576 1.00 0.00 H new ATOM 0 HG SER A 11 -16.815 2.107 9.096 1.00 0.00 H new ATOM 186 N HIS A 12 -15.584 -1.921 6.028 1.00 0.00 N ATOM 187 CA HIS A 12 -15.077 -3.281 5.991 1.00 0.00 C ATOM 188 C HIS A 12 -13.994 -3.391 4.915 1.00 0.00 C ATOM 189 O HIS A 12 -12.881 -3.845 5.188 1.00 0.00 O ATOM 190 CB HIS A 12 -16.248 -4.264 5.763 1.00 0.00 C ATOM 191 CG HIS A 12 -15.969 -5.401 4.823 1.00 0.00 C ATOM 192 ND1 HIS A 12 -15.516 -6.635 5.239 1.00 0.00 N ATOM 193 CD2 HIS A 12 -16.089 -5.478 3.479 1.00 0.00 C ATOM 194 CE1 HIS A 12 -15.367 -7.423 4.188 1.00 0.00 C ATOM 195 NE2 HIS A 12 -15.709 -6.744 3.108 1.00 0.00 N ATOM 0 H HIS A 12 -16.484 -1.793 5.565 1.00 0.00 H new ATOM 0 HA HIS A 12 -14.616 -3.545 6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -16.544 -4.678 6.727 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -17.101 -3.702 5.382 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -15.326 -6.899 6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.422 -4.690 2.820 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.024 -8.447 4.209 1.00 0.00 H new ATOM 204 N HIS A 13 -14.313 -2.950 3.698 1.00 0.00 N ATOM 205 CA HIS A 13 -13.338 -2.990 2.618 1.00 0.00 C ATOM 206 C HIS A 13 -12.164 -2.082 2.948 1.00 0.00 C ATOM 207 O HIS A 13 -11.042 -2.315 2.502 1.00 0.00 O ATOM 208 CB HIS A 13 -13.957 -2.552 1.292 1.00 0.00 C ATOM 209 CG HIS A 13 -15.041 -3.447 0.790 1.00 0.00 C ATOM 210 ND1 HIS A 13 -15.059 -4.810 0.993 1.00 0.00 N ATOM 211 CD2 HIS A 13 -16.147 -3.159 0.070 1.00 0.00 C ATOM 212 CE1 HIS A 13 -16.132 -5.323 0.417 1.00 0.00 C ATOM 213 NE2 HIS A 13 -16.809 -4.341 -0.148 1.00 0.00 N ATOM 0 H HIS A 13 -15.223 -2.568 3.442 1.00 0.00 H new ATOM 0 HA HIS A 13 -12.996 -4.020 2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.359 -1.545 1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.171 -2.497 0.539 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -14.355 -5.340 1.507 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.453 -2.181 -0.271 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.408 -6.367 0.410 1.00 0.00 H new ATOM 222 N ALA A 14 -12.430 -1.044 3.739 1.00 0.00 N ATOM 223 CA ALA A 14 -11.394 -0.101 4.136 1.00 0.00 C ATOM 224 C ALA A 14 -10.353 -0.790 5.006 1.00 0.00 C ATOM 225 O ALA A 14 -9.153 -0.697 4.749 1.00 0.00 O ATOM 226 CB ALA A 14 -12.006 1.080 4.875 1.00 0.00 C ATOM 0 H ALA A 14 -13.355 -0.837 4.116 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.902 0.270 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.218 1.776 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.717 1.588 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.522 0.724 5.767 1.00 0.00 H new ATOM 232 N LYS A 15 -10.822 -1.497 6.030 1.00 0.00 N ATOM 233 CA LYS A 15 -9.927 -2.214 6.927 1.00 0.00 C ATOM 234 C LYS A 15 -9.086 -3.209 6.140 1.00 0.00 C ATOM 235 O LYS A 15 -7.938 -3.485 6.488 1.00 0.00 O ATOM 236 CB LYS A 15 -10.727 -2.941 8.008 1.00 0.00 C ATOM 237 CG LYS A 15 -10.663 -2.267 9.369 1.00 0.00 C ATOM 238 CD LYS A 15 -11.555 -2.968 10.381 1.00 0.00 C ATOM 239 CE LYS A 15 -10.737 -3.677 11.448 1.00 0.00 C ATOM 240 NZ LYS A 15 -10.186 -4.971 10.958 1.00 0.00 N ATOM 0 H LYS A 15 -11.812 -1.588 6.257 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.265 -1.494 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.769 -3.008 7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.355 -3.961 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.634 -2.267 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.968 -1.225 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.215 -2.240 10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.191 -3.690 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.919 -3.031 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.361 -3.856 12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.635 -5.423 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.968 -5.597 10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.570 -4.798 10.138 1.00 0.00 H new ATOM 254 N GLU A 16 -9.669 -3.744 5.071 1.00 0.00 N ATOM 255 CA GLU A 16 -8.977 -4.708 4.224 1.00 0.00 C ATOM 256 C GLU A 16 -7.784 -4.063 3.526 1.00 0.00 C ATOM 257 O GLU A 16 -6.670 -4.584 3.577 1.00 0.00 O ATOM 258 CB GLU A 16 -9.939 -5.287 3.185 1.00 0.00 C ATOM 259 CG GLU A 16 -10.438 -6.681 3.529 1.00 0.00 C ATOM 260 CD GLU A 16 -11.944 -6.807 3.404 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.662 -6.016 4.051 1.00 0.00 O ATOM 262 OE2 GLU A 16 -12.405 -7.697 2.660 1.00 0.00 O ATOM 0 H GLU A 16 -10.619 -3.526 4.771 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.610 -5.514 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.794 -4.619 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.440 -5.317 2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.960 -7.407 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.139 -6.929 4.548 1.00 0.00 H new ATOM 269 N ILE A 17 -8.021 -2.928 2.873 1.00 0.00 N ATOM 270 CA ILE A 17 -6.959 -2.218 2.166 1.00 0.00 C ATOM 271 C ILE A 17 -5.868 -1.760 3.137 1.00 0.00 C ATOM 272 O ILE A 17 -4.729 -1.525 2.737 1.00 0.00 O ATOM 273 CB ILE A 17 -7.521 -1.007 1.366 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.654 0.250 2.239 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.872 -1.358 0.763 1.00 0.00 C ATOM 276 CD1 ILE A 17 -6.525 1.240 2.052 1.00 0.00 C ATOM 0 H ILE A 17 -8.936 -2.481 2.819 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.516 -2.914 1.454 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.809 -0.786 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.599 0.742 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.695 -0.048 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.255 -0.503 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.760 -2.209 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.570 -1.614 1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.686 2.102 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.578 0.765 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.497 1.568 1.013 1.00 0.00 H new ATOM 288 N GLU A 18 -6.229 -1.639 4.412 1.00 0.00 N ATOM 289 CA GLU A 18 -5.282 -1.215 5.434 1.00 0.00 C ATOM 290 C GLU A 18 -4.341 -2.359 5.795 1.00 0.00 C ATOM 291 O GLU A 18 -3.153 -2.146 6.036 1.00 0.00 O ATOM 292 CB GLU A 18 -6.023 -0.731 6.682 1.00 0.00 C ATOM 293 CG GLU A 18 -5.102 -0.361 7.832 1.00 0.00 C ATOM 294 CD GLU A 18 -4.025 0.625 7.424 1.00 0.00 C ATOM 295 OE1 GLU A 18 -3.245 0.306 6.502 1.00 0.00 O ATOM 296 OE2 GLU A 18 -3.961 1.717 8.026 1.00 0.00 O ATOM 0 H GLU A 18 -7.169 -1.829 4.759 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.693 -0.389 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.630 0.136 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.708 -1.512 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.693 0.067 8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.633 -1.264 8.222 1.00 0.00 H new ATOM 303 N ARG A 19 -4.881 -3.573 5.821 1.00 0.00 N ATOM 304 CA ARG A 19 -4.086 -4.752 6.140 1.00 0.00 C ATOM 305 C ARG A 19 -3.036 -4.985 5.063 1.00 0.00 C ATOM 306 O ARG A 19 -1.842 -5.122 5.355 1.00 0.00 O ATOM 307 CB ARG A 19 -4.986 -5.983 6.271 1.00 0.00 C ATOM 308 CG ARG A 19 -4.226 -7.260 6.590 1.00 0.00 C ATOM 309 CD ARG A 19 -5.029 -8.495 6.212 1.00 0.00 C ATOM 310 NE ARG A 19 -4.383 -9.263 5.151 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.641 -10.544 4.908 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.526 -11.196 5.651 1.00 0.00 N ATOM 313 NH2 ARG A 19 -4.014 -11.174 3.924 1.00 0.00 N ATOM 0 H ARG A 19 -5.863 -3.765 5.625 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.583 -4.584 7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.722 -5.803 7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.537 -6.121 5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.277 -7.264 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.991 -7.289 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.157 -9.127 7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.025 -8.195 5.887 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.696 -8.790 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.009 -10.714 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.723 -12.179 5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.332 -10.676 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.213 -12.157 3.739 1.00 0.00 H new ATOM 327 N LEU A 20 -3.479 -5.008 3.809 1.00 0.00 N ATOM 328 CA LEU A 20 -2.568 -5.205 2.697 1.00 0.00 C ATOM 329 C LEU A 20 -1.532 -4.092 2.685 1.00 0.00 C ATOM 330 O LEU A 20 -0.341 -4.339 2.500 1.00 0.00 O ATOM 331 CB LEU A 20 -3.332 -5.233 1.372 1.00 0.00 C ATOM 332 CG LEU A 20 -4.694 -5.928 1.424 1.00 0.00 C ATOM 333 CD1 LEU A 20 -5.238 -6.142 0.020 1.00 0.00 C ATOM 334 CD2 LEU A 20 -4.588 -7.253 2.164 1.00 0.00 C ATOM 0 H LEU A 20 -4.457 -4.893 3.543 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.064 -6.164 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.477 -4.208 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.715 -5.732 0.625 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.388 -5.286 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.207 -6.637 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.352 -5.179 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.546 -6.764 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.566 -7.734 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.879 -7.902 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.243 -7.074 3.182 1.00 0.00 H new ATOM 346 N GLN A 21 -1.997 -2.864 2.899 1.00 0.00 N ATOM 347 CA GLN A 21 -1.120 -1.701 2.927 1.00 0.00 C ATOM 348 C GLN A 21 -0.082 -1.847 4.031 1.00 0.00 C ATOM 349 O GLN A 21 1.030 -1.331 3.925 1.00 0.00 O ATOM 350 CB GLN A 21 -1.934 -0.424 3.138 1.00 0.00 C ATOM 351 CG GLN A 21 -1.079 0.822 3.303 1.00 0.00 C ATOM 352 CD GLN A 21 -1.308 1.835 2.199 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.862 2.910 2.431 1.00 0.00 O ATOM 354 NE2 GLN A 21 -0.880 1.498 0.987 1.00 0.00 N ATOM 0 H GLN A 21 -2.982 -2.650 3.056 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.606 -1.634 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.603 -0.285 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.561 -0.544 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.298 1.284 4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.027 0.537 3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.426 0.597 0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.006 2.141 0.205 1.00 0.00 H new ATOM 363 N LYS A 22 -0.453 -2.563 5.088 1.00 0.00 N ATOM 364 CA LYS A 22 0.449 -2.789 6.209 1.00 0.00 C ATOM 365 C LYS A 22 1.668 -3.576 5.746 1.00 0.00 C ATOM 366 O LYS A 22 2.806 -3.208 6.037 1.00 0.00 O ATOM 367 CB LYS A 22 -0.270 -3.543 7.328 1.00 0.00 C ATOM 368 CG LYS A 22 0.514 -3.595 8.629 1.00 0.00 C ATOM 369 CD LYS A 22 0.684 -5.023 9.120 1.00 0.00 C ATOM 370 CE LYS A 22 1.566 -5.833 8.184 1.00 0.00 C ATOM 371 NZ LYS A 22 1.753 -7.230 8.665 1.00 0.00 N ATOM 0 H LYS A 22 -1.371 -2.996 5.190 1.00 0.00 H new ATOM 0 HA LYS A 22 0.776 -1.823 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.234 -3.069 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.474 -4.561 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.494 -3.140 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.000 -3.007 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.121 -5.016 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.293 -5.499 9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.121 -5.848 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.538 -5.348 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.360 -7.748 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.201 -7.217 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.828 -7.702 8.729 1.00 0.00 H new ATOM 385 N GLU A 23 1.418 -4.657 5.015 1.00 0.00 N ATOM 386 CA GLU A 23 2.497 -5.494 4.499 1.00 0.00 C ATOM 387 C GLU A 23 3.427 -4.681 3.600 1.00 0.00 C ATOM 388 O GLU A 23 4.652 -4.710 3.759 1.00 0.00 O ATOM 389 CB GLU A 23 1.924 -6.680 3.723 1.00 0.00 C ATOM 390 CG GLU A 23 2.472 -8.024 4.174 1.00 0.00 C ATOM 391 CD GLU A 23 1.793 -9.190 3.484 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.594 -9.069 3.154 1.00 0.00 O ATOM 393 OE2 GLU A 23 2.460 -10.226 3.274 1.00 0.00 O ATOM 0 H GLU A 23 0.481 -4.974 4.767 1.00 0.00 H new ATOM 0 HA GLU A 23 3.073 -5.870 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.839 -6.684 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.138 -6.547 2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.543 -8.061 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.346 -8.121 5.252 1.00 0.00 H new ATOM 400 N ILE A 24 2.839 -3.948 2.657 1.00 0.00 N ATOM 401 CA ILE A 24 3.628 -3.126 1.745 1.00 0.00 C ATOM 402 C ILE A 24 4.426 -2.089 2.536 1.00 0.00 C ATOM 403 O ILE A 24 5.483 -1.638 2.101 1.00 0.00 O ATOM 404 CB ILE A 24 2.759 -2.440 0.636 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.351 -1.006 1.008 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.518 -3.263 0.328 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.344 0.034 0.534 1.00 0.00 C ATOM 0 H ILE A 24 1.831 -3.907 2.506 1.00 0.00 H new ATOM 0 HA ILE A 24 4.317 -3.790 1.223 1.00 0.00 H new ATOM 0 HB ILE A 24 3.386 -2.386 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.373 -0.789 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.246 -0.933 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.933 -2.764 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.815 -4.251 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.915 -3.364 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.000 1.026 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.317 -0.160 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.431 -0.014 -0.551 1.00 0.00 H new ATOM 419 N GLU A 25 3.903 -1.724 3.707 1.00 0.00 N ATOM 420 CA GLU A 25 4.561 -0.753 4.569 1.00 0.00 C ATOM 421 C GLU A 25 5.840 -1.346 5.140 1.00 0.00 C ATOM 422 O GLU A 25 6.839 -0.650 5.306 1.00 0.00 O ATOM 423 CB GLU A 25 3.627 -0.327 5.704 1.00 0.00 C ATOM 424 CG GLU A 25 3.120 1.100 5.569 1.00 0.00 C ATOM 425 CD GLU A 25 1.933 1.385 6.467 1.00 0.00 C ATOM 426 OE1 GLU A 25 2.149 1.813 7.621 1.00 0.00 O ATOM 427 OE2 GLU A 25 0.786 1.178 6.019 1.00 0.00 O ATOM 0 H GLU A 25 3.025 -2.089 4.077 1.00 0.00 H new ATOM 0 HA GLU A 25 4.811 0.127 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.775 -1.005 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.152 -0.429 6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.927 1.792 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.839 1.285 4.532 1.00 0.00 H new ATOM 434 N ARG A 26 5.801 -2.646 5.424 1.00 0.00 N ATOM 435 CA ARG A 26 6.964 -3.341 5.957 1.00 0.00 C ATOM 436 C ARG A 26 8.105 -3.283 4.953 1.00 0.00 C ATOM 437 O ARG A 26 9.237 -2.926 5.295 1.00 0.00 O ATOM 438 CB ARG A 26 6.618 -4.795 6.280 1.00 0.00 C ATOM 439 CG ARG A 26 7.767 -5.569 6.906 1.00 0.00 C ATOM 440 CD ARG A 26 7.699 -7.047 6.558 1.00 0.00 C ATOM 441 NE ARG A 26 8.313 -7.880 7.588 1.00 0.00 N ATOM 442 CZ ARG A 26 8.647 -9.153 7.403 1.00 0.00 C ATOM 443 NH1 ARG A 26 8.426 -9.735 6.233 1.00 0.00 N ATOM 444 NH2 ARG A 26 9.203 -9.845 8.388 1.00 0.00 N ATOM 0 H ARG A 26 4.979 -3.235 5.294 1.00 0.00 H new ATOM 0 HA ARG A 26 7.275 -2.849 6.878 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.765 -4.815 6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.308 -5.298 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.715 -5.156 6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.741 -5.448 7.989 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.658 -7.341 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.201 -7.219 5.606 1.00 0.00 H new ATOM 0 HE ARG A 26 8.496 -7.462 8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.999 -9.206 5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.683 -10.712 6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.375 -9.400 9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.459 -10.822 8.244 1.00 0.00 H new ATOM 458 N HIS A 27 7.798 -3.612 3.699 1.00 0.00 N ATOM 459 CA HIS A 27 8.799 -3.570 2.648 1.00 0.00 C ATOM 460 C HIS A 27 9.235 -2.130 2.413 1.00 0.00 C ATOM 461 O HIS A 27 10.367 -1.867 2.007 1.00 0.00 O ATOM 462 CB HIS A 27 8.243 -4.170 1.356 1.00 0.00 C ATOM 463 CG HIS A 27 9.073 -5.291 0.814 1.00 0.00 C ATOM 464 ND1 HIS A 27 10.157 -5.094 -0.015 1.00 0.00 N ATOM 465 CD2 HIS A 27 8.973 -6.629 0.989 1.00 0.00 C ATOM 466 CE1 HIS A 27 10.688 -6.264 -0.328 1.00 0.00 C ATOM 467 NE2 HIS A 27 9.988 -7.210 0.269 1.00 0.00 N ATOM 0 H HIS A 27 6.871 -3.907 3.393 1.00 0.00 H new ATOM 0 HA HIS A 27 9.662 -4.160 2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.231 -4.533 1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.169 -3.386 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.233 -7.144 1.584 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.547 -6.419 -0.963 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.171 -8.211 0.206 1.00 0.00 H new ATOM 476 N LYS A 28 8.322 -1.201 2.683 1.00 0.00 N ATOM 477 CA LYS A 28 8.593 0.220 2.516 1.00 0.00 C ATOM 478 C LYS A 28 9.454 0.746 3.660 1.00 0.00 C ATOM 479 O LYS A 28 10.087 1.794 3.538 1.00 0.00 O ATOM 480 CB LYS A 28 7.282 1.005 2.447 1.00 0.00 C ATOM 481 CG LYS A 28 7.479 2.506 2.309 1.00 0.00 C ATOM 482 CD LYS A 28 6.825 3.261 3.455 1.00 0.00 C ATOM 483 CE LYS A 28 5.356 2.895 3.597 1.00 0.00 C ATOM 484 NZ LYS A 28 4.543 4.040 4.091 1.00 0.00 N ATOM 0 H LYS A 28 7.383 -1.411 3.020 1.00 0.00 H new ATOM 0 HA LYS A 28 9.139 0.354 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.696 0.644 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.700 0.804 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.545 2.733 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.058 2.844 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.348 3.038 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.919 4.334 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.969 2.565 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.256 2.055 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.548 3.749 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.895 4.339 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.617 4.833 3.422 1.00 0.00 H new ATOM 498 N GLN A 29 9.477 0.014 4.771 1.00 0.00 N ATOM 499 CA GLN A 29 10.264 0.410 5.930 1.00 0.00 C ATOM 500 C GLN A 29 11.734 0.075 5.716 1.00 0.00 C ATOM 501 O GLN A 29 12.616 0.866 6.047 1.00 0.00 O ATOM 502 CB GLN A 29 9.744 -0.284 7.190 1.00 0.00 C ATOM 503 CG GLN A 29 10.536 0.055 8.442 1.00 0.00 C ATOM 504 CD GLN A 29 9.722 -0.118 9.710 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.647 0.786 10.543 1.00 0.00 O ATOM 506 NE2 GLN A 29 9.108 -1.285 9.864 1.00 0.00 N ATOM 0 H GLN A 29 8.959 -0.856 4.891 1.00 0.00 H new ATOM 0 HA GLN A 29 10.167 1.488 6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.701 -0.006 7.344 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.767 -1.363 7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.420 -0.581 8.492 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.888 1.085 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.197 -2.006 9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.547 -1.460 10.698 1.00 0.00 H new ATOM 515 N SER A 30 11.989 -1.103 5.157 1.00 0.00 N ATOM 516 CA SER A 30 13.357 -1.537 4.897 1.00 0.00 C ATOM 517 C SER A 30 13.978 -0.726 3.762 1.00 0.00 C ATOM 518 O SER A 30 15.153 -0.356 3.818 1.00 0.00 O ATOM 519 CB SER A 30 13.388 -3.027 4.551 1.00 0.00 C ATOM 520 OG SER A 30 12.158 -3.447 3.987 1.00 0.00 O ATOM 0 H SER A 30 11.271 -1.771 4.877 1.00 0.00 H new ATOM 0 HA SER A 30 13.941 -1.371 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.199 -3.223 3.850 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.596 -3.608 5.450 1.00 0.00 H new ATOM 0 HG SER A 30 12.205 -4.402 3.774 1.00 0.00 H new ATOM 526 N ILE A 31 13.183 -0.456 2.731 1.00 0.00 N ATOM 527 CA ILE A 31 13.654 0.306 1.580 1.00 0.00 C ATOM 528 C ILE A 31 13.790 1.787 1.914 1.00 0.00 C ATOM 529 O ILE A 31 14.680 2.467 1.400 1.00 0.00 O ATOM 530 CB ILE A 31 12.706 0.136 0.379 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.342 0.731 -0.899 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.343 0.739 0.699 1.00 0.00 C ATOM 533 CD1 ILE A 31 12.745 2.045 -1.382 1.00 0.00 C ATOM 0 H ILE A 31 12.209 -0.754 2.669 1.00 0.00 H new ATOM 0 HA ILE A 31 14.636 -0.086 1.316 1.00 0.00 H new ATOM 0 HB ILE A 31 12.548 -0.925 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.406 0.882 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.256 -0.002 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.680 0.614 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.916 0.234 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.457 1.801 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.265 2.371 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.687 1.904 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 31 12.855 2.802 -0.605 1.00 0.00 H new ATOM 545 N LYS A 32 12.915 2.285 2.783 1.00 0.00 N ATOM 546 CA LYS A 32 12.962 3.686 3.182 1.00 0.00 C ATOM 547 C LYS A 32 14.070 3.908 4.206 1.00 0.00 C ATOM 548 O LYS A 32 14.589 5.017 4.342 1.00 0.00 O ATOM 549 CB LYS A 32 11.614 4.131 3.754 1.00 0.00 C ATOM 550 CG LYS A 32 11.329 3.589 5.143 1.00 0.00 C ATOM 551 CD LYS A 32 9.888 3.843 5.554 1.00 0.00 C ATOM 552 CE LYS A 32 9.704 3.701 7.057 1.00 0.00 C ATOM 553 NZ LYS A 32 8.433 3.006 7.398 1.00 0.00 N ATOM 0 H LYS A 32 12.170 1.743 3.221 1.00 0.00 H new ATOM 0 HA LYS A 32 13.176 4.287 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.585 5.220 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.820 3.811 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.532 2.518 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.002 4.056 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.591 4.845 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.232 3.141 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.544 3.146 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.713 4.688 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.505 2.600 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.647 3.686 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.258 2.245 6.711 1.00 0.00 H new ATOM 567 N LYS A 33 14.433 2.845 4.920 1.00 0.00 N ATOM 568 CA LYS A 33 15.486 2.922 5.922 1.00 0.00 C ATOM 569 C LYS A 33 16.851 3.018 5.251 1.00 0.00 C ATOM 570 O LYS A 33 17.718 3.775 5.689 1.00 0.00 O ATOM 571 CB LYS A 33 15.439 1.698 6.839 1.00 0.00 C ATOM 572 CG LYS A 33 14.760 1.961 8.172 1.00 0.00 C ATOM 573 CD LYS A 33 14.948 0.797 9.132 1.00 0.00 C ATOM 574 CE LYS A 33 16.418 0.455 9.311 1.00 0.00 C ATOM 575 NZ LYS A 33 16.707 -0.048 10.683 1.00 0.00 N ATOM 0 H LYS A 33 14.012 1.921 4.821 1.00 0.00 H new ATOM 0 HA LYS A 33 15.326 3.818 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.915 0.891 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.456 1.352 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.167 2.870 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.696 2.134 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.511 1.047 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.413 -0.076 8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.707 -0.299 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.023 1.340 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.720 -0.270 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.455 0.681 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.149 -0.907 10.863 1.00 0.00 H new ATOM 589 N LEU A 34 17.034 2.249 4.181 1.00 0.00 N ATOM 590 CA LEU A 34 18.292 2.254 3.447 1.00 0.00 C ATOM 591 C LEU A 34 18.492 3.585 2.730 1.00 0.00 C ATOM 592 O LEU A 34 19.575 4.169 2.776 1.00 0.00 O ATOM 593 CB LEU A 34 18.323 1.104 2.437 1.00 0.00 C ATOM 594 CG LEU A 34 19.707 0.502 2.185 1.00 0.00 C ATOM 595 CD1 LEU A 34 19.586 -0.963 1.793 1.00 0.00 C ATOM 596 CD2 LEU A 34 20.441 1.285 1.107 1.00 0.00 C ATOM 0 H LEU A 34 16.328 1.616 3.805 1.00 0.00 H new ATOM 0 HA LEU A 34 19.105 2.119 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.658 0.314 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.921 1.462 1.489 1.00 0.00 H new ATOM 0 HG LEU A 34 20.284 0.565 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 34 20.579 -1.376 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.100 -1.516 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.992 -1.048 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.423 0.843 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.868 1.254 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.559 2.321 1.426 1.00 0.00 H new ATOM 608 N LYS A 35 17.440 4.062 2.073 1.00 0.00 N ATOM 609 CA LYS A 35 17.501 5.328 1.353 1.00 0.00 C ATOM 610 C LYS A 35 17.571 6.497 2.328 1.00 0.00 C ATOM 611 O LYS A 35 18.091 7.563 2.000 1.00 0.00 O ATOM 612 CB LYS A 35 16.284 5.481 0.438 1.00 0.00 C ATOM 613 CG LYS A 35 16.399 6.643 -0.536 1.00 0.00 C ATOM 614 CD LYS A 35 15.138 7.493 -0.538 1.00 0.00 C ATOM 615 CE LYS A 35 13.924 6.689 -0.974 1.00 0.00 C ATOM 616 NZ LYS A 35 12.678 7.503 -0.939 1.00 0.00 N ATOM 0 H LYS A 35 16.536 3.592 2.024 1.00 0.00 H new ATOM 0 HA LYS A 35 18.404 5.330 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.144 4.558 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.393 5.618 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.256 7.261 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.584 6.261 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.969 7.897 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.272 8.343 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.082 6.311 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.810 5.822 -0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.873 6.919 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.513 7.843 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.777 8.317 -1.579 1.00 0.00 H new ATOM 630 N GLN A 36 17.047 6.287 3.531 1.00 0.00 N ATOM 631 CA GLN A 36 17.055 7.321 4.558 1.00 0.00 C ATOM 632 C GLN A 36 18.462 7.514 5.113 1.00 0.00 C ATOM 633 O GLN A 36 18.843 8.619 5.497 1.00 0.00 O ATOM 634 CB GLN A 36 16.091 6.959 5.688 1.00 0.00 C ATOM 635 CG GLN A 36 16.126 7.935 6.853 1.00 0.00 C ATOM 636 CD GLN A 36 14.820 7.971 7.623 1.00 0.00 C ATOM 637 OE1 GLN A 36 13.854 7.297 7.263 1.00 0.00 O ATOM 638 NE2 GLN A 36 14.784 8.762 8.689 1.00 0.00 N ATOM 0 H GLN A 36 16.612 5.410 3.818 1.00 0.00 H new ATOM 0 HA GLN A 36 16.728 8.256 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.077 6.917 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.331 5.961 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.935 7.659 7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.351 8.934 6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.608 9.303 8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.932 8.829 9.246 1.00 0.00 H new ATOM 647 N SER A 37 19.231 6.429 5.147 1.00 0.00 N ATOM 648 CA SER A 37 20.597 6.481 5.650 1.00 0.00 C ATOM 649 C SER A 37 21.464 7.371 4.767 1.00 0.00 C ATOM 650 O SER A 37 22.456 7.939 5.224 1.00 0.00 O ATOM 651 CB SER A 37 21.192 5.073 5.720 1.00 0.00 C ATOM 652 OG SER A 37 20.709 4.369 6.851 1.00 0.00 O ATOM 0 H SER A 37 18.931 5.506 4.833 1.00 0.00 H new ATOM 0 HA SER A 37 20.574 6.906 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.942 4.524 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.279 5.136 5.765 1.00 0.00 H new ATOM 0 HG SER A 37 19.787 4.080 6.687 1.00 0.00 H new ATOM 658 N GLU A 38 21.082 7.487 3.499 1.00 0.00 N ATOM 659 CA GLU A 38 21.823 8.310 2.551 1.00 0.00 C ATOM 660 C GLU A 38 21.404 9.773 2.657 1.00 0.00 C ATOM 661 O GLU A 38 22.173 10.675 2.325 1.00 0.00 O ATOM 662 CB GLU A 38 21.601 7.806 1.123 1.00 0.00 C ATOM 663 CG GLU A 38 22.216 8.700 0.059 1.00 0.00 C ATOM 664 CD GLU A 38 21.196 9.612 -0.596 1.00 0.00 C ATOM 665 OE1 GLU A 38 20.211 9.980 0.078 1.00 0.00 O ATOM 666 OE2 GLU A 38 21.384 9.959 -1.780 1.00 0.00 O ATOM 0 H GLU A 38 20.264 7.022 3.105 1.00 0.00 H new ATOM 0 HA GLU A 38 22.883 8.236 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.021 6.804 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.530 7.721 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.003 9.305 0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 38 22.687 8.080 -0.704 1.00 0.00 H new ATOM 673 N ASP A 39 20.180 10.000 3.121 1.00 0.00 N ATOM 674 CA ASP A 39 19.656 11.353 3.272 1.00 0.00 C ATOM 675 C ASP A 39 20.117 11.975 4.586 1.00 0.00 C ATOM 676 O ASP A 39 20.166 13.198 4.720 1.00 0.00 O ATOM 677 CB ASP A 39 18.127 11.340 3.211 1.00 0.00 C ATOM 678 CG ASP A 39 17.538 12.736 3.193 1.00 0.00 C ATOM 679 OD1 ASP A 39 17.639 13.411 2.148 1.00 0.00 O ATOM 680 OD2 ASP A 39 16.972 13.154 4.226 1.00 0.00 O ATOM 0 H ASP A 39 19.531 9.264 3.399 1.00 0.00 H new ATOM 0 HA ASP A 39 20.042 11.957 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.806 10.802 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 39 17.736 10.795 4.070 1.00 0.00 H new ATOM 685 N ASP A 40 20.456 11.128 5.554 1.00 0.00 N ATOM 686 CA ASP A 40 20.914 11.597 6.858 1.00 0.00 C ATOM 687 C ASP A 40 22.001 12.657 6.707 1.00 0.00 C ATOM 688 O ASP A 40 23.186 12.336 6.614 1.00 0.00 O ATOM 689 CB ASP A 40 21.439 10.425 7.689 1.00 0.00 C ATOM 690 CG ASP A 40 20.347 9.757 8.501 1.00 0.00 C ATOM 691 OD1 ASP A 40 19.509 10.481 9.078 1.00 0.00 O ATOM 692 OD2 ASP A 40 20.331 8.509 8.562 1.00 0.00 O ATOM 0 H ASP A 40 20.422 10.113 5.460 1.00 0.00 H new ATOM 0 HA ASP A 40 20.065 12.047 7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.897 9.690 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.221 10.780 8.360 1.00 0.00 H new ATOM 697 N ASP A 41 21.589 13.921 6.685 1.00 0.00 N ATOM 698 CA ASP A 41 22.528 15.029 6.546 1.00 0.00 C ATOM 699 C ASP A 41 22.646 15.810 7.850 1.00 0.00 C ATOM 700 O ASP A 41 23.509 16.709 7.924 1.00 0.00 O ATOM 701 CB ASP A 41 22.084 15.962 5.418 1.00 0.00 C ATOM 702 CG ASP A 41 20.588 16.211 5.430 1.00 0.00 C ATOM 703 OD1 ASP A 41 20.004 16.262 6.533 1.00 0.00 O ATOM 704 OD2 ASP A 41 20.001 16.357 4.337 1.00 0.00 O ATOM 705 OXT ASP A 41 21.874 15.516 8.786 1.00 0.00 O ATOM 0 H ASP A 41 20.612 14.203 6.762 1.00 0.00 H new ATOM 0 HA ASP A 41 23.506 14.615 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.609 16.913 5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.370 15.530 4.459 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 23.533 14.912 -2.344 1.00 0.00 N ATOM 712 CA ALA B 1 23.383 13.459 -2.070 1.00 0.00 C ATOM 713 C ALA B 1 23.063 12.691 -3.347 1.00 0.00 C ATOM 714 O ALA B 1 22.355 13.189 -4.223 1.00 0.00 O ATOM 715 CB ALA B 1 22.296 13.230 -1.030 1.00 0.00 C ATOM 0 H1 ALA B 1 23.122 15.457 -1.560 1.00 0.00 H new ATOM 0 H2 ALA B 1 24.542 15.145 -2.437 1.00 0.00 H new ATOM 0 H3 ALA B 1 23.040 15.151 -3.228 1.00 0.00 H new ATOM 0 HA ALA B 1 24.330 13.087 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA B 1 22.196 12.162 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA B 1 22.564 13.741 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA B 1 21.349 13.623 -1.401 1.00 0.00 H new ATOM 723 N LEU B 2 23.588 11.475 -3.448 1.00 0.00 N ATOM 724 CA LEU B 2 23.358 10.636 -4.618 1.00 0.00 C ATOM 725 C LEU B 2 23.516 9.159 -4.269 1.00 0.00 C ATOM 726 O LEU B 2 22.530 8.448 -4.072 1.00 0.00 O ATOM 727 CB LEU B 2 24.328 11.013 -5.740 1.00 0.00 C ATOM 728 CG LEU B 2 23.767 11.978 -6.785 1.00 0.00 C ATOM 729 CD1 LEU B 2 24.276 13.389 -6.536 1.00 0.00 C ATOM 730 CD2 LEU B 2 24.134 11.516 -8.187 1.00 0.00 C ATOM 0 H LEU B 2 24.176 11.048 -2.733 1.00 0.00 H new ATOM 0 HA LEU B 2 22.336 10.803 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU B 2 25.217 11.460 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU B 2 24.648 10.101 -6.245 1.00 0.00 H new ATOM 0 HG LEU B 2 22.680 11.986 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU B 2 23.866 14.062 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU B 2 23.963 13.719 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU B 2 25.364 13.399 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU B 2 23.727 12.214 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU B 2 25.219 11.479 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU B 2 23.720 10.523 -8.363 1.00 0.00 H new ATOM 742 N LYS B 3 24.763 8.704 -4.191 1.00 0.00 N ATOM 743 CA LYS B 3 25.051 7.312 -3.864 1.00 0.00 C ATOM 744 C LYS B 3 24.510 6.377 -4.940 1.00 0.00 C ATOM 745 O LYS B 3 23.450 6.624 -5.515 1.00 0.00 O ATOM 746 CB LYS B 3 24.445 6.950 -2.505 1.00 0.00 C ATOM 747 CG LYS B 3 25.388 7.186 -1.338 1.00 0.00 C ATOM 748 CD LYS B 3 25.064 8.482 -0.613 1.00 0.00 C ATOM 749 CE LYS B 3 26.312 9.320 -0.380 1.00 0.00 C ATOM 750 NZ LYS B 3 26.314 9.949 0.969 1.00 0.00 N ATOM 0 H LYS B 3 25.590 9.279 -4.350 1.00 0.00 H new ATOM 0 HA LYS B 3 26.133 7.192 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS B 3 23.538 7.536 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS B 3 24.149 5.901 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS B 3 25.321 6.351 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS B 3 26.416 7.217 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS B 3 24.344 9.056 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS B 3 24.593 8.257 0.344 1.00 0.00 H new ATOM 0 HE2 LYS B 3 27.196 8.692 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS B 3 26.376 10.096 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 27.181 10.511 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 25.484 10.568 1.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 26.279 9.208 1.698 1.00 0.00 H new ATOM 764 N LYS B 4 25.245 5.303 -5.206 1.00 0.00 N ATOM 765 CA LYS B 4 24.840 4.329 -6.215 1.00 0.00 C ATOM 766 C LYS B 4 24.466 3.000 -5.567 1.00 0.00 C ATOM 767 O LYS B 4 23.410 2.435 -5.850 1.00 0.00 O ATOM 768 CB LYS B 4 25.961 4.114 -7.233 1.00 0.00 C ATOM 769 CG LYS B 4 27.357 4.224 -6.640 1.00 0.00 C ATOM 770 CD LYS B 4 28.429 4.054 -7.703 1.00 0.00 C ATOM 771 CE LYS B 4 29.324 5.280 -7.792 1.00 0.00 C ATOM 772 NZ LYS B 4 29.994 5.384 -9.118 1.00 0.00 N ATOM 0 H LYS B 4 26.124 5.084 -4.738 1.00 0.00 H new ATOM 0 HA LYS B 4 23.964 4.723 -6.731 1.00 0.00 H new ATOM 0 HB2 LYS B 4 25.845 3.129 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS B 4 25.858 4.846 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS B 4 27.473 5.194 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.486 3.466 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS B 4 29.034 3.176 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS B 4 27.959 3.874 -8.670 1.00 0.00 H new ATOM 0 HE2 LYS B 4 28.730 6.177 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS B 4 30.078 5.236 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 30.595 6.233 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 30.581 4.540 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 29.275 5.452 -9.866 1.00 0.00 H new ATOM 786 N HIS B 5 25.337 2.507 -4.692 1.00 0.00 N ATOM 787 CA HIS B 5 25.096 1.246 -4.001 1.00 0.00 C ATOM 788 C HIS B 5 23.728 1.257 -3.326 1.00 0.00 C ATOM 789 O HIS B 5 22.966 0.292 -3.421 1.00 0.00 O ATOM 790 CB HIS B 5 26.189 0.990 -2.961 1.00 0.00 C ATOM 791 CG HIS B 5 26.647 2.230 -2.255 1.00 0.00 C ATOM 792 ND1 HIS B 5 27.824 2.880 -2.563 1.00 0.00 N ATOM 793 CD2 HIS B 5 26.079 2.940 -1.252 1.00 0.00 C ATOM 794 CE1 HIS B 5 27.961 3.936 -1.779 1.00 0.00 C ATOM 795 NE2 HIS B 5 26.915 3.994 -0.976 1.00 0.00 N ATOM 0 H HIS B 5 26.216 2.962 -4.445 1.00 0.00 H new ATOM 0 HA HIS B 5 25.116 0.444 -4.739 1.00 0.00 H new ATOM 0 HB2 HIS B 5 25.818 0.278 -2.224 1.00 0.00 H new ATOM 0 HB3 HIS B 5 27.044 0.524 -3.451 1.00 0.00 H new ATOM 0 HD2 HIS B 5 25.143 2.719 -0.761 1.00 0.00 H new ATOM 0 HE1 HIS B 5 28.787 4.632 -1.793 1.00 0.00 H new ATOM 0 HE2 HIS B 5 26.754 4.707 -0.265 1.00 0.00 H new ATOM 804 N HIS B 6 23.423 2.358 -2.650 1.00 0.00 N ATOM 805 CA HIS B 6 22.147 2.498 -1.962 1.00 0.00 C ATOM 806 C HIS B 6 20.999 2.496 -2.959 1.00 0.00 C ATOM 807 O HIS B 6 20.054 1.731 -2.815 1.00 0.00 O ATOM 808 CB HIS B 6 22.123 3.782 -1.131 1.00 0.00 C ATOM 809 CG HIS B 6 22.379 3.558 0.326 1.00 0.00 C ATOM 810 ND1 HIS B 6 23.199 2.556 0.801 1.00 0.00 N ATOM 811 CD2 HIS B 6 21.918 4.214 1.418 1.00 0.00 C ATOM 812 CE1 HIS B 6 23.231 2.604 2.121 1.00 0.00 C ATOM 813 NE2 HIS B 6 22.463 3.601 2.519 1.00 0.00 N ATOM 0 H HIS B 6 24.041 3.165 -2.564 1.00 0.00 H new ATOM 0 HA HIS B 6 22.026 1.647 -1.291 1.00 0.00 H new ATOM 0 HB2 HIS B 6 22.872 4.471 -1.521 1.00 0.00 H new ATOM 0 HB3 HIS B 6 21.153 4.264 -1.251 1.00 0.00 H new ATOM 0 HD1 HIS B 6 23.702 1.883 0.223 1.00 0.00 H new ATOM 0 HD2 HIS B 6 21.247 5.061 1.422 1.00 0.00 H new ATOM 0 HE1 HIS B 6 23.790 1.941 2.764 1.00 0.00 H new ATOM 822 N GLU B 7 21.092 3.350 -3.972 1.00 0.00 N ATOM 823 CA GLU B 7 20.060 3.430 -4.998 1.00 0.00 C ATOM 824 C GLU B 7 19.838 2.067 -5.651 1.00 0.00 C ATOM 825 O GLU B 7 18.790 1.820 -6.247 1.00 0.00 O ATOM 826 CB GLU B 7 20.443 4.462 -6.060 1.00 0.00 C ATOM 827 CG GLU B 7 19.478 5.633 -6.146 1.00 0.00 C ATOM 828 CD GLU B 7 19.639 6.428 -7.426 1.00 0.00 C ATOM 829 OE1 GLU B 7 20.625 7.186 -7.534 1.00 0.00 O ATOM 830 OE2 GLU B 7 18.779 6.293 -8.321 1.00 0.00 O ATOM 0 H GLU B 7 21.870 3.996 -4.104 1.00 0.00 H new ATOM 0 HA GLU B 7 19.131 3.741 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU B 7 21.442 4.840 -5.843 1.00 0.00 H new ATOM 0 HB3 GLU B 7 20.492 3.970 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.455 5.262 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU B 7 19.634 6.291 -5.292 1.00 0.00 H new ATOM 837 N ASN B 8 20.829 1.182 -5.534 1.00 0.00 N ATOM 838 CA ASN B 8 20.732 -0.155 -6.110 1.00 0.00 C ATOM 839 C ASN B 8 19.770 -1.017 -5.300 1.00 0.00 C ATOM 840 O ASN B 8 18.748 -1.474 -5.813 1.00 0.00 O ATOM 841 CB ASN B 8 22.111 -0.816 -6.164 1.00 0.00 C ATOM 842 CG ASN B 8 23.118 0.008 -6.941 1.00 0.00 C ATOM 843 OD1 ASN B 8 22.752 0.921 -7.682 1.00 0.00 O ATOM 844 ND2 ASN B 8 24.396 -0.310 -6.776 1.00 0.00 N ATOM 0 H ASN B 8 21.705 1.369 -5.046 1.00 0.00 H new ATOM 0 HA ASN B 8 20.348 -0.063 -7.126 1.00 0.00 H new ATOM 0 HB2 ASN B 8 22.477 -0.969 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN B 8 22.021 -1.801 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN B 8 25.119 0.210 -7.273 1.00 0.00 H new ATOM 0 HD22 ASN B 8 24.655 -1.074 -6.152 1.00 0.00 H new ATOM 851 N GLU B 9 20.090 -1.219 -4.023 1.00 0.00 N ATOM 852 CA GLU B 9 19.232 -2.010 -3.146 1.00 0.00 C ATOM 853 C GLU B 9 17.941 -1.252 -2.820 1.00 0.00 C ATOM 854 O GLU B 9 17.012 -1.808 -2.232 1.00 0.00 O ATOM 855 CB GLU B 9 19.973 -2.360 -1.853 1.00 0.00 C ATOM 856 CG GLU B 9 21.395 -2.844 -2.079 1.00 0.00 C ATOM 857 CD GLU B 9 22.094 -3.224 -0.789 1.00 0.00 C ATOM 858 OE1 GLU B 9 21.987 -2.457 0.191 1.00 0.00 O ATOM 859 OE2 GLU B 9 22.749 -4.287 -0.758 1.00 0.00 O ATOM 0 H GLU B 9 20.929 -0.849 -3.577 1.00 0.00 H new ATOM 0 HA GLU B 9 18.971 -2.931 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.995 -1.482 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU B 9 19.416 -3.132 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU B 9 21.380 -3.705 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU B 9 21.966 -2.062 -2.580 1.00 0.00 H new ATOM 866 N ILE B 10 17.893 0.021 -3.214 1.00 0.00 N ATOM 867 CA ILE B 10 16.737 0.867 -2.979 1.00 0.00 C ATOM 868 C ILE B 10 15.784 0.790 -4.167 1.00 0.00 C ATOM 869 O ILE B 10 14.570 0.915 -4.014 1.00 0.00 O ATOM 870 CB ILE B 10 17.191 2.330 -2.735 1.00 0.00 C ATOM 871 CG1 ILE B 10 17.879 2.445 -1.374 1.00 0.00 C ATOM 872 CG2 ILE B 10 16.032 3.316 -2.818 1.00 0.00 C ATOM 873 CD1 ILE B 10 18.685 3.714 -1.210 1.00 0.00 C ATOM 0 H ILE B 10 18.656 0.488 -3.704 1.00 0.00 H new ATOM 0 HA ILE B 10 16.211 0.516 -2.091 1.00 0.00 H new ATOM 0 HB ILE B 10 17.895 2.588 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE B 10 17.124 2.400 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.536 1.586 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE B 10 16.400 4.326 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE B 10 15.580 3.264 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE B 10 15.285 3.064 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE B 10 19.145 3.728 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE B 10 19.463 3.752 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE B 10 18.029 4.578 -1.317 1.00 0.00 H new ATOM 885 N SER B 11 16.347 0.563 -5.348 1.00 0.00 N ATOM 886 CA SER B 11 15.548 0.446 -6.557 1.00 0.00 C ATOM 887 C SER B 11 14.907 -0.931 -6.618 1.00 0.00 C ATOM 888 O SER B 11 13.822 -1.102 -7.174 1.00 0.00 O ATOM 889 CB SER B 11 16.412 0.683 -7.798 1.00 0.00 C ATOM 890 OG SER B 11 16.238 1.998 -8.297 1.00 0.00 O ATOM 0 H SER B 11 17.351 0.457 -5.492 1.00 0.00 H new ATOM 0 HA SER B 11 14.765 1.204 -6.535 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.461 0.520 -7.551 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.150 -0.040 -8.571 1.00 0.00 H new ATOM 0 HG SER B 11 16.802 2.125 -9.088 1.00 0.00 H new ATOM 896 N HIS B 12 15.582 -1.910 -6.022 1.00 0.00 N ATOM 897 CA HIS B 12 15.076 -3.269 -5.987 1.00 0.00 C ATOM 898 C HIS B 12 13.994 -3.382 -4.909 1.00 0.00 C ATOM 899 O HIS B 12 12.882 -3.842 -5.180 1.00 0.00 O ATOM 900 CB HIS B 12 16.246 -4.254 -5.764 1.00 0.00 C ATOM 901 CG HIS B 12 15.970 -5.392 -4.825 1.00 0.00 C ATOM 902 ND1 HIS B 12 15.511 -6.624 -5.241 1.00 0.00 N ATOM 903 CD2 HIS B 12 16.096 -5.472 -3.483 1.00 0.00 C ATOM 904 CE1 HIS B 12 15.366 -7.413 -4.192 1.00 0.00 C ATOM 905 NE2 HIS B 12 15.715 -6.737 -3.113 1.00 0.00 N ATOM 0 H HIS B 12 16.481 -1.782 -5.558 1.00 0.00 H new ATOM 0 HA HIS B 12 14.614 -3.530 -6.939 1.00 0.00 H new ATOM 0 HB2 HIS B 12 16.538 -4.667 -6.730 1.00 0.00 H new ATOM 0 HB3 HIS B 12 17.101 -3.694 -5.385 1.00 0.00 H new ATOM 0 HD1 HIS B 12 15.314 -6.885 -6.207 1.00 0.00 H new ATOM 0 HD2 HIS B 12 16.434 -4.686 -2.824 1.00 0.00 H new ATOM 0 HE1 HIS B 12 15.021 -8.436 -4.213 1.00 0.00 H new ATOM 914 N HIS B 13 14.311 -2.940 -3.692 1.00 0.00 N ATOM 915 CA HIS B 13 13.338 -2.984 -2.611 1.00 0.00 C ATOM 916 C HIS B 13 12.161 -2.078 -2.940 1.00 0.00 C ATOM 917 O HIS B 13 11.040 -2.317 -2.499 1.00 0.00 O ATOM 918 CB HIS B 13 13.955 -2.548 -1.284 1.00 0.00 C ATOM 919 CG HIS B 13 15.049 -3.435 -0.789 1.00 0.00 C ATOM 920 ND1 HIS B 13 15.076 -4.798 -0.994 1.00 0.00 N ATOM 921 CD2 HIS B 13 16.157 -3.141 -0.074 1.00 0.00 C ATOM 922 CE1 HIS B 13 16.156 -5.305 -0.425 1.00 0.00 C ATOM 923 NE2 HIS B 13 16.828 -4.320 0.139 1.00 0.00 N ATOM 0 H HIS B 13 15.220 -2.554 -3.436 1.00 0.00 H new ATOM 0 HA HIS B 13 13.000 -4.015 -2.509 1.00 0.00 H new ATOM 0 HB2 HIS B 13 14.346 -1.537 -1.395 1.00 0.00 H new ATOM 0 HB3 HIS B 13 13.170 -2.505 -0.529 1.00 0.00 H new ATOM 0 HD2 HIS B 13 16.459 -2.161 0.266 1.00 0.00 H new ATOM 0 HE1 HIS B 13 16.440 -6.347 -0.422 1.00 0.00 H new ATOM 0 HE2 HIS B 13 17.705 -4.418 0.651 1.00 0.00 H new ATOM 932 N ALA B 14 12.427 -1.035 -3.725 1.00 0.00 N ATOM 933 CA ALA B 14 11.390 -0.094 -4.120 1.00 0.00 C ATOM 934 C ALA B 14 10.351 -0.784 -4.993 1.00 0.00 C ATOM 935 O ALA B 14 9.150 -0.693 -4.738 1.00 0.00 O ATOM 936 CB ALA B 14 12.000 1.091 -4.854 1.00 0.00 C ATOM 0 H ALA B 14 13.353 -0.824 -4.098 1.00 0.00 H new ATOM 0 HA ALA B 14 10.896 0.274 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.211 1.786 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.709 1.599 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA B 14 12.518 0.739 -5.746 1.00 0.00 H new ATOM 942 N LYS B 15 10.823 -1.484 -6.020 1.00 0.00 N ATOM 943 CA LYS B 15 9.932 -2.201 -6.921 1.00 0.00 C ATOM 944 C LYS B 15 9.085 -3.196 -6.137 1.00 0.00 C ATOM 945 O LYS B 15 7.937 -3.464 -6.486 1.00 0.00 O ATOM 946 CB LYS B 15 10.735 -2.930 -8.000 1.00 0.00 C ATOM 947 CG LYS B 15 10.666 -2.262 -9.363 1.00 0.00 C ATOM 948 CD LYS B 15 11.558 -2.967 -10.373 1.00 0.00 C ATOM 949 CE LYS B 15 10.738 -3.674 -11.441 1.00 0.00 C ATOM 950 NZ LYS B 15 10.187 -4.968 -10.953 1.00 0.00 N ATOM 0 H LYS B 15 11.814 -1.569 -6.247 1.00 0.00 H new ATOM 0 HA LYS B 15 9.274 -1.480 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.777 -2.991 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.367 -3.953 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS B 15 9.636 -2.266 -9.720 1.00 0.00 H new ATOM 0 HG3 LYS B 15 10.969 -1.219 -9.274 1.00 0.00 H new ATOM 0 HD2 LYS B 15 12.222 -2.241 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS B 15 12.190 -3.691 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS B 15 9.920 -3.027 -11.757 1.00 0.00 H new ATOM 0 HE3 LYS B 15 11.361 -3.852 -12.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.635 -5.418 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.969 -5.595 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 9.572 -4.796 -10.132 1.00 0.00 H new ATOM 964 N GLU B 16 9.666 -3.735 -5.068 1.00 0.00 N ATOM 965 CA GLU B 16 8.970 -4.697 -4.223 1.00 0.00 C ATOM 966 C GLU B 16 7.773 -4.051 -3.531 1.00 0.00 C ATOM 967 O GLU B 16 6.657 -4.566 -3.595 1.00 0.00 O ATOM 968 CB GLU B 16 9.928 -5.278 -3.180 1.00 0.00 C ATOM 969 CG GLU B 16 10.430 -6.670 -3.524 1.00 0.00 C ATOM 970 CD GLU B 16 11.935 -6.795 -3.398 1.00 0.00 C ATOM 971 OE1 GLU B 16 12.653 -6.006 -4.047 1.00 0.00 O ATOM 972 OE2 GLU B 16 12.396 -7.683 -2.649 1.00 0.00 O ATOM 0 H GLU B 16 10.617 -3.521 -4.768 1.00 0.00 H new ATOM 0 HA GLU B 16 8.604 -5.503 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU B 16 10.782 -4.610 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU B 16 9.424 -5.311 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.953 -7.397 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU B 16 10.133 -6.918 -4.543 1.00 0.00 H new ATOM 979 N ILE B 17 8.009 -2.920 -2.870 1.00 0.00 N ATOM 980 CA ILE B 17 6.943 -2.211 -2.168 1.00 0.00 C ATOM 981 C ILE B 17 5.856 -1.756 -3.143 1.00 0.00 C ATOM 982 O ILE B 17 4.716 -1.519 -2.747 1.00 0.00 O ATOM 983 CB ILE B 17 7.498 -0.999 -1.365 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.638 0.256 -2.241 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.844 -1.345 -0.750 1.00 0.00 C ATOM 986 CD1 ILE B 17 6.515 1.251 -2.054 1.00 0.00 C ATOM 0 H ILE B 17 8.925 -2.477 -2.806 1.00 0.00 H new ATOM 0 HA ILE B 17 6.499 -2.908 -1.457 1.00 0.00 H new ATOM 0 HB ILE B 17 6.779 -0.779 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE B 17 8.586 0.744 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE B 17 7.676 -0.044 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.220 -0.488 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE B 17 8.729 -2.195 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE B 17 9.550 -1.601 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.679 2.111 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE B 17 5.566 0.780 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE B 17 6.490 1.580 -1.015 1.00 0.00 H new ATOM 998 N GLU B 18 6.220 -1.636 -4.417 1.00 0.00 N ATOM 999 CA GLU B 18 5.275 -1.214 -5.442 1.00 0.00 C ATOM 1000 C GLU B 18 4.335 -2.356 -5.802 1.00 0.00 C ATOM 1001 O GLU B 18 3.146 -2.145 -6.043 1.00 0.00 O ATOM 1002 CB GLU B 18 6.018 -0.732 -6.690 1.00 0.00 C ATOM 1003 CG GLU B 18 5.099 -0.359 -7.842 1.00 0.00 C ATOM 1004 CD GLU B 18 4.023 0.628 -7.434 1.00 0.00 C ATOM 1005 OE1 GLU B 18 3.239 0.307 -6.516 1.00 0.00 O ATOM 1006 OE2 GLU B 18 3.963 1.722 -8.033 1.00 0.00 O ATOM 0 H GLU B 18 7.161 -1.825 -4.762 1.00 0.00 H new ATOM 0 HA GLU B 18 4.686 -0.387 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU B 18 6.627 0.133 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.701 -1.515 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.692 0.069 -8.651 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.629 -1.261 -8.234 1.00 0.00 H new ATOM 1013 N ARG B 19 4.874 -3.571 -5.827 1.00 0.00 N ATOM 1014 CA ARG B 19 4.080 -4.750 -6.145 1.00 0.00 C ATOM 1015 C ARG B 19 3.031 -4.983 -5.065 1.00 0.00 C ATOM 1016 O ARG B 19 1.838 -5.122 -5.356 1.00 0.00 O ATOM 1017 CB ARG B 19 4.980 -5.981 -6.278 1.00 0.00 C ATOM 1018 CG ARG B 19 4.220 -7.260 -6.591 1.00 0.00 C ATOM 1019 CD ARG B 19 5.024 -8.492 -6.211 1.00 0.00 C ATOM 1020 NE ARG B 19 4.381 -9.259 -5.148 1.00 0.00 N ATOM 1021 CZ ARG B 19 4.639 -10.540 -4.904 1.00 0.00 C ATOM 1022 NH1 ARG B 19 5.525 -11.192 -5.645 1.00 0.00 N ATOM 1023 NH2 ARG B 19 4.012 -11.169 -3.920 1.00 0.00 N ATOM 0 H ARG B 19 5.856 -3.764 -5.631 1.00 0.00 H new ATOM 0 HA ARG B 19 3.576 -4.583 -7.097 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.713 -5.802 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.536 -6.116 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.272 -7.262 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.983 -7.293 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.152 -9.126 -7.088 1.00 0.00 H new ATOM 0 HD3 ARG B 19 6.020 -8.189 -5.888 1.00 0.00 H new ATOM 0 HE ARG B 19 3.695 -8.785 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG B 19 6.009 -10.710 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG B 19 5.722 -12.175 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.330 -10.670 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG B 19 4.211 -12.152 -3.734 1.00 0.00 H new ATOM 1037 N LEU B 20 3.477 -5.008 -3.813 1.00 0.00 N ATOM 1038 CA LEU B 20 2.567 -5.205 -2.699 1.00 0.00 C ATOM 1039 C LEU B 20 1.531 -4.092 -2.681 1.00 0.00 C ATOM 1040 O LEU B 20 0.342 -4.338 -2.485 1.00 0.00 O ATOM 1041 CB LEU B 20 3.334 -5.235 -1.375 1.00 0.00 C ATOM 1042 CG LEU B 20 4.697 -5.925 -1.432 1.00 0.00 C ATOM 1043 CD1 LEU B 20 5.246 -6.136 -0.029 1.00 0.00 C ATOM 1044 CD2 LEU B 20 4.593 -7.250 -2.171 1.00 0.00 C ATOM 0 H LEU B 20 4.456 -4.895 -3.549 1.00 0.00 H new ATOM 0 HA LEU B 20 2.062 -6.163 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.477 -4.210 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.720 -5.738 -0.628 1.00 0.00 H new ATOM 0 HG LEU B 20 5.387 -5.281 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU B 20 6.217 -6.628 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.358 -5.172 0.467 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.557 -6.759 0.541 1.00 0.00 H new ATOM 0 HD21 LEU B 20 5.572 -7.727 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.888 -7.901 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.243 -7.073 -3.188 1.00 0.00 H new ATOM 1056 N GLN B 21 1.996 -2.864 -2.904 1.00 0.00 N ATOM 1057 CA GLN B 21 1.118 -1.701 -2.929 1.00 0.00 C ATOM 1058 C GLN B 21 0.081 -1.844 -4.034 1.00 0.00 C ATOM 1059 O GLN B 21 -1.030 -1.325 -3.928 1.00 0.00 O ATOM 1060 CB GLN B 21 1.933 -0.424 -3.138 1.00 0.00 C ATOM 1061 CG GLN B 21 1.077 0.822 -3.305 1.00 0.00 C ATOM 1062 CD GLN B 21 1.305 1.838 -2.203 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.864 2.909 -2.437 1.00 0.00 O ATOM 1064 NE2 GLN B 21 0.870 1.505 -0.993 1.00 0.00 N ATOM 0 H GLN B 21 2.980 -2.651 -3.070 1.00 0.00 H new ATOM 0 HA GLN B 21 0.603 -1.637 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.600 -0.285 -2.287 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.562 -0.544 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.295 1.282 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.025 0.537 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN B 21 0.412 0.606 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN B 21 0.994 2.149 -0.211 1.00 0.00 H new ATOM 1073 N LYS B 22 0.450 -2.562 -5.090 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.452 -2.786 -6.211 1.00 0.00 C ATOM 1075 C LYS B 22 -1.670 -3.573 -5.749 1.00 0.00 C ATOM 1076 O LYS B 22 -2.809 -3.209 -6.042 1.00 0.00 O ATOM 1077 CB LYS B 22 0.268 -3.539 -7.331 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.516 -3.590 -8.632 1.00 0.00 C ATOM 1079 CD LYS B 22 -0.686 -5.018 -9.123 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.567 -5.829 -8.184 1.00 0.00 C ATOM 1081 NZ LYS B 22 -1.753 -7.225 -8.664 1.00 0.00 N ATOM 0 H LYS B 22 1.367 -2.998 -5.192 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.779 -1.820 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.232 -3.064 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.473 -4.557 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.496 -3.135 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.001 -3.002 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -1.125 -5.011 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS B 22 0.291 -5.493 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -1.121 -5.844 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -2.539 -5.345 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -2.359 -7.744 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.202 -7.213 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -0.828 -7.696 -8.729 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.420 -4.653 -5.015 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.498 -5.491 -4.500 1.00 0.00 C ATOM 1097 C GLU B 23 -3.430 -4.681 -3.600 1.00 0.00 C ATOM 1098 O GLU B 23 -4.655 -4.713 -3.760 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.924 -6.677 -3.721 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.470 -8.022 -4.171 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.792 -9.188 -3.480 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.594 -9.066 -3.148 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -2.459 -10.222 -3.268 1.00 0.00 O ATOM 0 H GLU B 23 -0.483 -4.968 -4.764 1.00 0.00 H new ATOM 0 HA GLU B 23 -3.071 -5.866 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.839 -6.680 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.139 -6.543 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.541 -8.060 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.342 -8.119 -5.249 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.844 -3.944 -2.659 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.635 -3.124 -1.748 1.00 0.00 C ATOM 1112 C ILE B 24 -4.430 -2.086 -2.541 1.00 0.00 C ATOM 1113 O ILE B 24 -5.490 -1.636 -2.108 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.768 -2.438 -0.637 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.367 -1.000 -1.003 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.524 -3.256 -0.330 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.360 0.033 -0.521 1.00 0.00 C ATOM 0 H ILE B 24 -1.836 -3.898 -2.509 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.325 -3.788 -1.228 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.396 -2.390 0.253 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.388 -0.782 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.266 -0.921 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.942 -2.756 0.444 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.817 -4.246 0.019 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.920 -3.353 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.020 1.027 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.334 -0.162 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.443 -0.020 0.565 1.00 0.00 H new ATOM 1129 N GLU B 25 -3.905 -1.720 -3.709 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.560 -0.749 -4.572 1.00 0.00 C ATOM 1131 C GLU B 25 -5.839 -1.340 -5.144 1.00 0.00 C ATOM 1132 O GLU B 25 -6.839 -0.643 -5.309 1.00 0.00 O ATOM 1133 CB GLU B 25 -3.625 -0.322 -5.705 1.00 0.00 C ATOM 1134 CG GLU B 25 -3.119 1.105 -5.573 1.00 0.00 C ATOM 1135 CD GLU B 25 -1.931 1.387 -6.472 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -0.783 1.181 -6.022 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -2.147 1.815 -7.624 1.00 0.00 O ATOM 0 H GLU B 25 -3.026 -2.084 -4.077 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.810 0.131 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -2.772 -1.000 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.149 -0.426 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -3.926 1.797 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -2.839 1.293 -4.537 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.802 -2.638 -5.429 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.964 -3.332 -5.963 1.00 0.00 C ATOM 1146 C ARG B 26 -8.104 -3.273 -4.956 1.00 0.00 C ATOM 1147 O ARG B 26 -9.236 -2.917 -5.296 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.621 -4.788 -6.285 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.772 -5.561 -6.906 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.704 -7.039 -6.557 1.00 0.00 C ATOM 1151 NE ARG B 26 -8.317 -7.873 -7.587 1.00 0.00 N ATOM 1152 CZ ARG B 26 -8.649 -9.147 -7.401 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -8.428 -9.728 -6.231 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -9.204 -9.839 -8.387 1.00 0.00 N ATOM 0 H ARG B 26 -4.980 -3.228 -5.299 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.273 -2.841 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.770 -4.810 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.309 -5.290 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.719 -5.147 -6.558 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.750 -5.441 -7.989 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.663 -7.333 -6.425 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -8.207 -7.210 -5.605 1.00 0.00 H new ATOM 0 HE ARG B 26 -8.501 -7.455 -8.499 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -8.002 -9.198 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -8.684 -10.705 -6.091 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -9.376 -9.394 -9.288 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -9.458 -10.816 -8.244 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.793 -3.600 -3.704 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.788 -3.559 -2.647 1.00 0.00 C ATOM 1170 C HIS B 27 -9.224 -2.120 -2.403 1.00 0.00 C ATOM 1171 O HIS B 27 -10.350 -1.858 -1.979 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.224 -4.168 -1.363 1.00 0.00 C ATOM 1173 CG HIS B 27 -9.056 -5.286 -0.816 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -10.128 -5.087 0.027 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -8.969 -6.625 -1.002 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -10.665 -6.253 0.338 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -9.980 -7.201 -0.274 1.00 0.00 N ATOM 0 H HIS B 27 -6.864 -3.894 -3.402 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.655 -4.144 -2.954 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -7.217 -4.537 -1.557 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.137 -3.387 -0.608 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -8.241 -7.142 -1.609 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -11.518 -6.405 0.982 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -10.171 -8.201 -0.215 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.317 -1.187 -2.688 1.00 0.00 N ATOM 1187 CA LYS B 28 -8.591 0.232 -2.518 1.00 0.00 C ATOM 1188 C LYS B 28 -9.451 0.758 -3.663 1.00 0.00 C ATOM 1189 O LYS B 28 -10.084 1.806 -3.543 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.281 1.019 -2.445 1.00 0.00 C ATOM 1191 CG LYS B 28 -7.479 2.520 -2.308 1.00 0.00 C ATOM 1192 CD LYS B 28 -6.827 3.274 -3.455 1.00 0.00 C ATOM 1193 CE LYS B 28 -5.360 2.905 -3.600 1.00 0.00 C ATOM 1194 NZ LYS B 28 -4.545 4.049 -4.093 1.00 0.00 N ATOM 0 H LYS B 28 -7.382 -1.394 -3.039 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.138 0.364 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.698 0.659 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.696 0.819 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.545 2.747 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.057 2.859 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.353 3.052 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.919 4.347 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -4.973 2.572 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -5.263 2.067 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -3.551 3.756 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -4.898 4.351 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.616 4.841 -3.422 1.00 0.00 H new ATOM 1208 N GLN B 29 -9.474 0.024 -4.773 1.00 0.00 N ATOM 1209 CA GLN B 29 -10.262 0.420 -5.932 1.00 0.00 C ATOM 1210 C GLN B 29 -11.731 0.082 -5.720 1.00 0.00 C ATOM 1211 O GLN B 29 -12.614 0.873 -6.052 1.00 0.00 O ATOM 1212 CB GLN B 29 -9.740 -0.273 -7.192 1.00 0.00 C ATOM 1213 CG GLN B 29 -10.531 0.067 -8.445 1.00 0.00 C ATOM 1214 CD GLN B 29 -9.717 -0.111 -9.713 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.640 0.792 -10.546 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -9.106 -1.280 -9.865 1.00 0.00 N ATOM 0 H GLN B 29 -8.956 -0.847 -4.892 1.00 0.00 H new ATOM 0 HA GLN B 29 -10.168 1.498 -6.059 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -8.697 0.005 -7.344 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -9.763 -1.352 -7.039 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.417 -0.566 -8.494 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -10.879 1.098 -8.382 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -9.197 -2.000 -9.149 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.545 -1.458 -10.698 1.00 0.00 H new ATOM 1225 N SER B 30 -11.985 -1.096 -5.161 1.00 0.00 N ATOM 1226 CA SER B 30 -13.352 -1.531 -4.901 1.00 0.00 C ATOM 1227 C SER B 30 -13.974 -0.721 -3.767 1.00 0.00 C ATOM 1228 O SER B 30 -15.147 -0.349 -3.826 1.00 0.00 O ATOM 1229 CB SER B 30 -13.382 -3.023 -4.555 1.00 0.00 C ATOM 1230 OG SER B 30 -12.151 -3.442 -3.992 1.00 0.00 O ATOM 0 H SER B 30 -11.267 -1.763 -4.881 1.00 0.00 H new ATOM 0 HA SER B 30 -13.936 -1.365 -5.806 1.00 0.00 H new ATOM 0 HB2 SER B 30 -14.192 -3.220 -3.853 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.591 -3.604 -5.454 1.00 0.00 H new ATOM 0 HG SER B 30 -12.197 -4.397 -3.779 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.181 -0.456 -2.733 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.653 0.306 -1.583 1.00 0.00 C ATOM 1238 C ILE B 31 -13.792 1.788 -1.916 1.00 0.00 C ATOM 1239 O ILE B 31 -14.684 2.466 -1.406 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.705 0.137 -0.382 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.345 0.721 0.900 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.345 0.754 -0.698 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -12.749 2.027 1.399 1.00 0.00 C ATOM 0 H ILE B 31 -12.209 -0.758 -2.669 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.635 -0.087 -1.320 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.540 -0.924 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -14.408 0.875 0.715 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.264 -0.021 1.695 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.681 0.629 0.158 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -10.913 0.258 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -11.468 1.816 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -13.272 2.345 2.301 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -11.692 1.882 1.624 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -12.854 2.792 0.630 1.00 0.00 H new ATOM 1255 N LYS B 32 -12.915 2.287 -2.783 1.00 0.00 N ATOM 1256 CA LYS B 32 -12.963 3.689 -3.182 1.00 0.00 C ATOM 1257 C LYS B 32 -14.071 3.912 -4.206 1.00 0.00 C ATOM 1258 O LYS B 32 -14.592 5.019 -4.340 1.00 0.00 O ATOM 1259 CB LYS B 32 -11.617 4.139 -3.754 1.00 0.00 C ATOM 1260 CG LYS B 32 -11.331 3.596 -5.145 1.00 0.00 C ATOM 1261 CD LYS B 32 -9.891 3.856 -5.559 1.00 0.00 C ATOM 1262 CE LYS B 32 -9.708 3.710 -7.062 1.00 0.00 C ATOM 1263 NZ LYS B 32 -8.435 3.016 -7.403 1.00 0.00 N ATOM 0 H LYS B 32 -12.169 1.746 -3.219 1.00 0.00 H new ATOM 0 HA LYS B 32 -13.177 4.287 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.592 5.228 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.822 3.822 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.529 2.524 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -12.007 4.059 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.599 4.860 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -9.231 3.159 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.548 3.153 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.719 4.696 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.513 2.593 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.653 3.701 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -8.249 2.269 -6.704 1.00 0.00 H new ATOM 1277 N LYS B 33 -14.433 2.849 -4.920 1.00 0.00 N ATOM 1278 CA LYS B 33 -15.484 2.926 -5.924 1.00 0.00 C ATOM 1279 C LYS B 33 -16.850 3.022 -5.253 1.00 0.00 C ATOM 1280 O LYS B 33 -17.716 3.779 -5.693 1.00 0.00 O ATOM 1281 CB LYS B 33 -15.437 1.702 -6.841 1.00 0.00 C ATOM 1282 CG LYS B 33 -14.759 1.968 -8.174 1.00 0.00 C ATOM 1283 CD LYS B 33 -14.947 0.805 -9.136 1.00 0.00 C ATOM 1284 CE LYS B 33 -16.416 0.462 -9.315 1.00 0.00 C ATOM 1285 NZ LYS B 33 -16.706 -0.043 -10.686 1.00 0.00 N ATOM 0 H LYS B 33 -14.012 1.925 -4.820 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.322 3.821 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -14.912 0.895 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.454 1.355 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -15.167 2.877 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -13.695 2.141 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -14.511 1.057 -10.103 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -14.411 -0.068 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -16.705 -0.291 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -17.022 1.347 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -17.719 -0.266 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -16.455 0.685 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -16.147 -0.902 -10.865 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.033 2.255 -4.183 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.293 2.260 -3.449 1.00 0.00 C ATOM 1301 C LEU B 34 -18.493 3.591 -2.733 1.00 0.00 C ATOM 1302 O LEU B 34 -19.575 4.178 -2.784 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.326 1.112 -2.440 1.00 0.00 C ATOM 1304 CG LEU B 34 -19.710 0.507 -2.193 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -19.590 -0.957 -1.801 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -20.448 1.290 -1.118 1.00 0.00 C ATOM 0 H LEU B 34 -16.326 1.624 -3.806 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.105 2.125 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.658 0.324 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -17.928 1.471 -1.491 1.00 0.00 H new ATOM 0 HG LEU B 34 -20.283 0.568 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -20.584 -1.370 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -19.101 -1.510 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -18.999 -1.042 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -21.430 0.847 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -19.877 1.260 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.566 2.325 -1.438 1.00 0.00 H new ATOM 1318 N LYS B 35 -17.443 4.066 -2.072 1.00 0.00 N ATOM 1319 CA LYS B 35 -17.506 5.333 -1.353 1.00 0.00 C ATOM 1320 C LYS B 35 -17.575 6.502 -2.328 1.00 0.00 C ATOM 1321 O LYS B 35 -18.096 7.567 -2.000 1.00 0.00 O ATOM 1322 CB LYS B 35 -16.290 5.486 -0.437 1.00 0.00 C ATOM 1323 CG LYS B 35 -16.402 6.652 0.533 1.00 0.00 C ATOM 1324 CD LYS B 35 -15.141 7.502 0.531 1.00 0.00 C ATOM 1325 CE LYS B 35 -13.927 6.699 0.968 1.00 0.00 C ATOM 1326 NZ LYS B 35 -12.681 7.512 0.933 1.00 0.00 N ATOM 0 H LYS B 35 -16.540 3.594 -2.019 1.00 0.00 H new ATOM 0 HA LYS B 35 -18.410 5.335 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -16.154 4.565 0.129 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -15.398 5.618 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -17.259 7.270 0.264 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -16.585 6.274 1.539 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -14.973 7.903 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -15.274 8.354 1.198 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -14.086 6.322 1.978 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -13.813 5.831 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -11.877 6.928 1.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -12.515 7.851 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -12.780 8.326 1.573 1.00 0.00 H new ATOM 1340 N GLN B 36 -17.049 6.292 -3.530 1.00 0.00 N ATOM 1341 CA GLN B 36 -17.057 7.326 -4.556 1.00 0.00 C ATOM 1342 C GLN B 36 -18.463 7.519 -5.112 1.00 0.00 C ATOM 1343 O GLN B 36 -18.844 8.626 -5.492 1.00 0.00 O ATOM 1344 CB GLN B 36 -16.093 6.963 -5.687 1.00 0.00 C ATOM 1345 CG GLN B 36 -16.128 7.938 -6.853 1.00 0.00 C ATOM 1346 CD GLN B 36 -14.824 7.975 -7.623 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -13.858 7.300 -7.265 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -14.788 8.766 -8.690 1.00 0.00 N ATOM 0 H GLN B 36 -16.612 5.416 -3.817 1.00 0.00 H new ATOM 0 HA GLN B 36 -16.730 8.261 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -15.079 6.921 -5.289 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -16.334 5.964 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -16.937 7.661 -7.529 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -16.353 8.937 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -15.612 9.308 -8.951 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -13.937 8.831 -9.248 1.00 0.00 H new ATOM 1357 N SER B 37 -19.231 6.435 -5.152 1.00 0.00 N ATOM 1358 CA SER B 37 -20.597 6.486 -5.656 1.00 0.00 C ATOM 1359 C SER B 37 -21.464 7.377 -4.773 1.00 0.00 C ATOM 1360 O SER B 37 -22.455 7.947 -5.231 1.00 0.00 O ATOM 1361 CB SER B 37 -21.193 5.079 -5.725 1.00 0.00 C ATOM 1362 OG SER B 37 -20.706 4.374 -6.853 1.00 0.00 O ATOM 0 H SER B 37 -18.930 5.511 -4.841 1.00 0.00 H new ATOM 0 HA SER B 37 -20.573 6.909 -6.660 1.00 0.00 H new ATOM 0 HB2 SER B 37 -20.946 4.531 -4.816 1.00 0.00 H new ATOM 0 HB3 SER B 37 -22.280 5.143 -5.774 1.00 0.00 H new ATOM 0 HG SER B 37 -19.784 4.086 -6.686 1.00 0.00 H new ATOM 1368 N GLU B 38 -21.083 7.494 -3.504 1.00 0.00 N ATOM 1369 CA GLU B 38 -21.824 8.317 -2.557 1.00 0.00 C ATOM 1370 C GLU B 38 -21.404 9.780 -2.663 1.00 0.00 C ATOM 1371 O GLU B 38 -22.172 10.683 -2.330 1.00 0.00 O ATOM 1372 CB GLU B 38 -21.602 7.814 -1.129 1.00 0.00 C ATOM 1373 CG GLU B 38 -22.219 8.708 -0.066 1.00 0.00 C ATOM 1374 CD GLU B 38 -21.202 9.625 0.586 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -20.218 9.994 -0.089 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -21.391 9.975 1.770 1.00 0.00 O ATOM 0 H GLU B 38 -20.266 7.029 -3.109 1.00 0.00 H new ATOM 0 HA GLU B 38 -22.884 8.242 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.021 6.812 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -20.531 7.730 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -23.009 9.309 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -22.687 8.088 0.699 1.00 0.00 H new ATOM 1383 N ASP B 39 -20.180 10.006 -3.127 1.00 0.00 N ATOM 1384 CA ASP B 39 -19.656 11.359 -3.277 1.00 0.00 C ATOM 1385 C ASP B 39 -20.115 11.982 -4.592 1.00 0.00 C ATOM 1386 O ASP B 39 -20.163 13.205 -4.727 1.00 0.00 O ATOM 1387 CB ASP B 39 -18.128 11.346 -3.213 1.00 0.00 C ATOM 1388 CG ASP B 39 -17.539 12.743 -3.198 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -17.640 13.420 -2.153 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -16.974 13.161 -4.232 1.00 0.00 O ATOM 0 H ASP B 39 -19.532 9.270 -3.406 1.00 0.00 H new ATOM 0 HA ASP B 39 -20.044 11.963 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -17.809 10.810 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -17.736 10.798 -4.070 1.00 0.00 H new ATOM 1395 N ASP B 40 -20.454 11.134 -5.560 1.00 0.00 N ATOM 1396 CA ASP B 40 -20.910 11.603 -6.865 1.00 0.00 C ATOM 1397 C ASP B 40 -21.997 12.662 -6.715 1.00 0.00 C ATOM 1398 O ASP B 40 -23.182 12.341 -6.622 1.00 0.00 O ATOM 1399 CB ASP B 40 -21.435 10.431 -7.695 1.00 0.00 C ATOM 1400 CG ASP B 40 -20.343 9.763 -8.508 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -19.505 10.487 -9.085 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -20.327 8.515 -8.569 1.00 0.00 O ATOM 0 H ASP B 40 -20.421 10.119 -5.465 1.00 0.00 H new ATOM 0 HA ASP B 40 -20.060 12.052 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -21.892 9.696 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -22.218 10.786 -8.365 1.00 0.00 H new ATOM 1407 N ASP B 41 -21.586 13.926 -6.693 1.00 0.00 N ATOM 1408 CA ASP B 41 -22.526 15.032 -6.555 1.00 0.00 C ATOM 1409 C ASP B 41 -22.645 15.813 -7.860 1.00 0.00 C ATOM 1410 O ASP B 41 -23.509 16.712 -7.934 1.00 0.00 O ATOM 1411 CB ASP B 41 -22.083 15.967 -5.427 1.00 0.00 C ATOM 1412 CG ASP B 41 -20.588 16.218 -5.439 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -20.003 16.271 -6.541 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -20.002 16.365 -4.345 1.00 0.00 O ATOM 1415 OXT ASP B 41 -21.873 15.519 -8.797 1.00 0.00 O ATOM 0 H ASP B 41 -20.609 14.209 -6.769 1.00 0.00 H new ATOM 0 HA ASP B 41 -23.504 14.616 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -22.609 16.917 -5.519 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -22.369 15.536 -4.468 1.00 0.00 H new TER 1420 ASP B 41