USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 955 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.0037) USER MOD Set 2.1: A 77 CYS SG : rot 70:sc= 0.433 USER MOD Set 2.2: A 100 TYR OH : rot 121:sc= 1.2 USER MOD Set 3.1: A 39 CYS SG : rot -38:sc= -2.35! USER MOD Set 3.2: A 63 ASN : amide:sc= -4.22! C(o=-6.6!,f=-8.3!) USER MOD Set 4.1: A 20 TYR OH : rot -139:sc= 0.373 USER MOD Set 4.2: A 43 HIS : no HD1:sc= 0.783 K(o=1.2,f=-3.2) USER MOD Set 5.1: A 22 HIS : no HE2:sc= -3.43! C(o=-5.9!,f=-13!) USER MOD Set 5.2: A 34 SER OG : rot 120:sc= -1.46 USER MOD Set 5.3: A 36 MET CE :methyl 166:sc= -1.53 (180deg=0) USER MOD Set 5.4: A 52 TYR OH : rot -26:sc= 0.571 USER MOD Single : A 1 GLY N :NH3+ -135:sc= -0.517 (180deg=-1.82!) USER MOD Single : A 5 SER OG : rot 101:sc= -0.528! USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.0616 (180deg=-0.652) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot -40:sc= -4.19! USER MOD Single : A 16 MET CE :methyl -121:sc= -0.232 (180deg=-2.09) USER MOD Single : A 17 THR OG1 : rot 73:sc= 0.52 USER MOD Single : A 19 ASN : amide:sc= -1.02 K(o=-1,f=-0.17) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -7.95! C(o=-7.9!,f=-4.6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.332 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 82:sc= -1.11! USER MOD Single : A 33 SER OG : rot -96:sc= 0.778 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= -3.84 (180deg=-8.78!) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 65 THR OG1 : rot 83:sc= -0.609 USER MOD Single : A 69 SER OG : rot -55:sc= 0.202 USER MOD Single : A 70 THR OG1 : rot 89:sc= 1.05 USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= -0.212 (180deg=-1.97) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 86 MET CE :methyl -149:sc= -0.256 (180deg=-0.636) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 128:sc= 0.207 USER MOD Single : A 99 THR OG1 : rot 64:sc= 1.12 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 70:sc= 0.0373 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -104:sc= -1.2 (180deg=-1.96!) USER MOD Single : A 115 LYS NZ :NH3+ -106:sc= -1.21 (180deg=-3.22!) USER MOD Single : A 116 THR OG1 : rot 180:sc=-0.00485 USER MOD Single : A 117 LYS NZ :NH3+ 145:sc= -0.191 (180deg=-0.876) USER MOD Single : A 118 LYS NZ :NH3+ -150:sc= -0.127 (180deg=-0.712) USER MOD Single : A 119 LYS NZ :NH3+ -167:sc= -0.0104 (180deg=-0.215) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.479 15.901 4.986 1.00 0.00 N ATOM 2 CA GLY A 1 11.314 16.621 5.567 1.00 0.00 C ATOM 3 C GLY A 1 10.745 15.818 6.732 1.00 0.00 C ATOM 4 O GLY A 1 9.694 15.190 6.609 1.00 0.00 O ATOM 0 H1 GLY A 1 13.255 16.573 4.821 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.795 15.162 5.646 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.202 15.464 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.619 17.610 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.548 16.768 4.805 1.00 0.00 H new ATOM 10 N PRO A 2 11.412 15.839 7.857 1.00 0.00 N ATOM 11 CA PRO A 2 10.951 15.109 9.067 1.00 0.00 C ATOM 12 C PRO A 2 9.706 15.779 9.640 1.00 0.00 C ATOM 13 O PRO A 2 8.944 15.177 10.394 1.00 0.00 O ATOM 14 CB PRO A 2 12.141 15.174 10.054 1.00 0.00 C ATOM 15 CG PRO A 2 13.240 15.956 9.370 1.00 0.00 C ATOM 16 CD PRO A 2 12.663 16.566 8.085 1.00 0.00 C ATOM 0 HA PRO A 2 10.672 14.077 8.855 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.844 15.658 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.484 14.172 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.616 16.740 10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.082 15.305 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.484 17.635 8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.349 16.446 7.247 1.00 0.00 H new ATOM 24 N LEU A 3 9.526 17.036 9.264 1.00 0.00 N ATOM 25 CA LEU A 3 8.394 17.819 9.727 1.00 0.00 C ATOM 26 C LEU A 3 7.083 17.190 9.263 1.00 0.00 C ATOM 27 O LEU A 3 6.064 17.279 9.948 1.00 0.00 O ATOM 28 CB LEU A 3 8.513 19.253 9.190 1.00 0.00 C ATOM 29 CG LEU A 3 9.729 19.944 9.836 1.00 0.00 C ATOM 30 CD1 LEU A 3 9.979 21.313 9.174 1.00 0.00 C ATOM 31 CD2 LEU A 3 9.476 20.132 11.348 1.00 0.00 C ATOM 0 H LEU A 3 10.154 17.537 8.636 1.00 0.00 H new ATOM 0 HA LEU A 3 8.396 17.839 10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.623 19.239 8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.604 19.812 9.411 1.00 0.00 H new ATOM 0 HG LEU A 3 10.610 19.319 9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.841 21.790 9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.173 21.173 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.100 21.945 9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.337 20.621 11.803 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.589 20.749 11.495 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.322 19.159 11.815 1.00 0.00 H new ATOM 43 N GLY A 4 7.120 16.556 8.095 1.00 0.00 N ATOM 44 CA GLY A 4 5.930 15.908 7.535 1.00 0.00 C ATOM 45 C GLY A 4 6.286 14.555 6.929 1.00 0.00 C ATOM 46 O GLY A 4 6.412 14.421 5.713 1.00 0.00 O ATOM 0 H GLY A 4 7.956 16.475 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.181 15.776 8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.487 16.548 6.772 1.00 0.00 H new ATOM 50 N SER A 5 6.452 13.560 7.793 1.00 0.00 N ATOM 51 CA SER A 5 6.796 12.218 7.341 1.00 0.00 C ATOM 52 C SER A 5 5.644 11.606 6.555 1.00 0.00 C ATOM 53 O SER A 5 5.780 11.284 5.377 1.00 0.00 O ATOM 54 CB SER A 5 7.114 11.333 8.546 1.00 0.00 C ATOM 55 OG SER A 5 5.903 10.996 9.211 1.00 0.00 O ATOM 0 H SER A 5 6.355 13.656 8.804 1.00 0.00 H new ATOM 0 HA SER A 5 7.670 12.285 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.629 10.429 8.222 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.785 11.855 9.229 1.00 0.00 H new ATOM 0 HG SER A 5 5.630 10.090 8.955 1.00 0.00 H new ATOM 61 N LYS A 6 4.506 11.447 7.218 1.00 0.00 N ATOM 62 CA LYS A 6 3.330 10.870 6.578 1.00 0.00 C ATOM 63 C LYS A 6 3.040 11.570 5.256 1.00 0.00 C ATOM 64 O LYS A 6 2.578 10.946 4.303 1.00 0.00 O ATOM 65 CB LYS A 6 2.121 11.006 7.506 1.00 0.00 C ATOM 66 CG LYS A 6 1.922 12.480 7.873 1.00 0.00 C ATOM 67 CD LYS A 6 0.761 12.615 8.864 1.00 0.00 C ATOM 68 CE LYS A 6 0.549 14.092 9.223 1.00 0.00 C ATOM 69 NZ LYS A 6 1.800 14.642 9.816 1.00 0.00 N ATOM 0 H LYS A 6 4.372 11.708 8.195 1.00 0.00 H new ATOM 0 HA LYS A 6 3.524 9.816 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.228 10.618 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.273 10.413 8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.835 12.882 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.716 13.063 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.150 12.203 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.972 12.039 9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.276 14.658 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.275 14.191 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.576 15.491 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.235 13.927 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.464 14.892 9.056 1.00 0.00 H new ATOM 83 N ASN A 7 3.317 12.868 5.206 1.00 0.00 N ATOM 84 CA ASN A 7 3.079 13.636 3.993 1.00 0.00 C ATOM 85 C ASN A 7 3.915 13.072 2.851 1.00 0.00 C ATOM 86 O ASN A 7 3.441 12.946 1.722 1.00 0.00 O ATOM 87 CB ASN A 7 3.454 15.104 4.228 1.00 0.00 C ATOM 88 CG ASN A 7 2.343 15.808 5.002 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.404 15.905 6.228 1.00 0.00 O ATOM 90 ND2 ASN A 7 1.328 16.308 4.355 1.00 0.00 N ATOM 0 H ASN A 7 3.702 13.405 5.983 1.00 0.00 H new ATOM 0 HA ASN A 7 2.023 13.570 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.390 15.165 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.617 15.604 3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.582 16.781 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.280 16.226 3.339 1.00 0.00 H new ATOM 97 N MET A 8 5.159 12.725 3.161 1.00 0.00 N ATOM 98 CA MET A 8 6.059 12.167 2.163 1.00 0.00 C ATOM 99 C MET A 8 5.492 10.866 1.604 1.00 0.00 C ATOM 100 O MET A 8 5.430 10.673 0.393 1.00 0.00 O ATOM 101 CB MET A 8 7.425 11.901 2.813 1.00 0.00 C ATOM 102 CG MET A 8 8.400 11.299 1.795 1.00 0.00 C ATOM 103 SD MET A 8 8.669 12.466 0.440 1.00 0.00 S ATOM 104 CE MET A 8 9.332 11.272 -0.747 1.00 0.00 C ATOM 0 H MET A 8 5.565 12.820 4.092 1.00 0.00 H new ATOM 0 HA MET A 8 6.170 12.877 1.343 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.833 12.831 3.209 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.306 11.221 3.656 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.348 11.066 2.280 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.002 10.362 1.406 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.574 11.782 -1.680 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.234 10.815 -0.339 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.589 10.498 -0.939 1.00 0.00 H new ATOM 114 N LEU A 9 5.068 9.987 2.502 1.00 0.00 N ATOM 115 CA LEU A 9 4.498 8.713 2.116 1.00 0.00 C ATOM 116 C LEU A 9 3.189 8.924 1.381 1.00 0.00 C ATOM 117 O LEU A 9 2.887 8.235 0.406 1.00 0.00 O ATOM 118 CB LEU A 9 4.241 7.880 3.365 1.00 0.00 C ATOM 119 CG LEU A 9 5.564 7.482 4.007 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.286 6.844 5.370 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.330 6.484 3.110 1.00 0.00 C ATOM 0 H LEU A 9 5.111 10.139 3.510 1.00 0.00 H new ATOM 0 HA LEU A 9 5.197 8.197 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.640 8.449 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.670 6.988 3.106 1.00 0.00 H new ATOM 0 HG LEU A 9 6.180 8.373 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.228 6.556 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.769 7.561 6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.662 5.960 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.272 6.214 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.726 5.588 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.533 6.945 2.144 1.00 0.00 H new ATOM 133 N LEU A 10 2.402 9.872 1.877 1.00 0.00 N ATOM 134 CA LEU A 10 1.106 10.158 1.274 1.00 0.00 C ATOM 135 C LEU A 10 1.298 10.640 -0.157 1.00 0.00 C ATOM 136 O LEU A 10 0.667 10.141 -1.089 1.00 0.00 O ATOM 137 CB LEU A 10 0.361 11.218 2.116 1.00 0.00 C ATOM 138 CG LEU A 10 -1.072 11.422 1.592 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.857 10.104 1.679 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.784 12.506 2.433 1.00 0.00 C ATOM 0 H LEU A 10 2.635 10.449 2.685 1.00 0.00 H new ATOM 0 HA LEU A 10 0.505 9.249 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.331 10.905 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.903 12.163 2.083 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.027 11.742 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.870 10.258 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.360 9.344 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.899 9.773 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.798 12.648 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.822 12.191 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.235 13.444 2.357 1.00 0.00 H new ATOM 152 N GLU A 11 2.192 11.602 -0.317 1.00 0.00 N ATOM 153 CA GLU A 11 2.493 12.157 -1.628 1.00 0.00 C ATOM 154 C GLU A 11 2.987 11.065 -2.560 1.00 0.00 C ATOM 155 O GLU A 11 2.480 10.853 -3.663 1.00 0.00 O ATOM 156 CB GLU A 11 3.608 13.187 -1.457 1.00 0.00 C ATOM 157 CG GLU A 11 3.601 14.164 -2.628 1.00 0.00 C ATOM 158 CD GLU A 11 4.007 13.442 -3.909 1.00 0.00 C ATOM 159 OE1 GLU A 11 4.786 12.506 -3.821 1.00 0.00 O ATOM 160 OE2 GLU A 11 3.522 13.830 -4.958 1.00 0.00 O ATOM 0 H GLU A 11 2.724 12.017 0.448 1.00 0.00 H new ATOM 0 HA GLU A 11 1.595 12.608 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.474 13.728 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.573 12.684 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.608 14.599 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.288 14.987 -2.431 1.00 0.00 H new ATOM 167 N TRP A 12 4.003 10.406 -2.060 1.00 0.00 N ATOM 168 CA TRP A 12 4.684 9.323 -2.729 1.00 0.00 C ATOM 169 C TRP A 12 3.707 8.230 -3.168 1.00 0.00 C ATOM 170 O TRP A 12 3.567 7.954 -4.359 1.00 0.00 O ATOM 171 CB TRP A 12 5.668 8.821 -1.682 1.00 0.00 C ATOM 172 CG TRP A 12 6.434 7.623 -2.096 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.553 7.621 -2.849 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.191 6.256 -1.706 1.00 0.00 C ATOM 175 NE1 TRP A 12 8.011 6.319 -2.953 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.198 5.438 -2.264 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.193 5.657 -0.929 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.213 4.059 -2.049 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.200 4.273 -0.711 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.210 3.474 -1.269 1.00 0.00 C ATOM 0 H TRP A 12 4.394 10.616 -1.142 1.00 0.00 H new ATOM 0 HA TRP A 12 5.177 9.636 -3.649 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.368 9.622 -1.444 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.122 8.592 -0.767 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.014 8.489 -3.296 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.844 6.044 -3.473 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.413 6.265 -0.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.992 3.449 -2.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.425 3.819 -0.111 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.213 2.408 -1.096 1.00 0.00 H new ATOM 191 N CYS A 13 3.021 7.628 -2.205 1.00 0.00 N ATOM 192 CA CYS A 13 2.051 6.577 -2.500 1.00 0.00 C ATOM 193 C CYS A 13 1.018 7.051 -3.528 1.00 0.00 C ATOM 194 O CYS A 13 0.684 6.332 -4.470 1.00 0.00 O ATOM 195 CB CYS A 13 1.348 6.181 -1.198 1.00 0.00 C ATOM 196 SG CYS A 13 0.186 7.482 -0.717 1.00 0.00 S ATOM 0 H CYS A 13 3.117 7.848 -1.214 1.00 0.00 H new ATOM 0 HA CYS A 13 2.573 5.719 -2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.819 5.237 -1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.083 6.026 -0.408 1.00 0.00 H new ATOM 0 HG CYS A 13 0.722 8.646 -0.938 1.00 0.00 H new ATOM 202 N ARG A 14 0.529 8.266 -3.326 1.00 0.00 N ATOM 203 CA ARG A 14 -0.469 8.852 -4.221 1.00 0.00 C ATOM 204 C ARG A 14 0.078 8.962 -5.634 1.00 0.00 C ATOM 205 O ARG A 14 -0.538 8.518 -6.600 1.00 0.00 O ATOM 206 CB ARG A 14 -0.835 10.252 -3.739 1.00 0.00 C ATOM 207 CG ARG A 14 -2.037 10.776 -4.534 1.00 0.00 C ATOM 208 CD ARG A 14 -2.365 12.202 -4.085 1.00 0.00 C ATOM 209 NE ARG A 14 -3.487 12.734 -4.858 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.748 12.508 -4.493 1.00 0.00 C ATOM 211 NH1 ARG A 14 -5.302 11.354 -4.744 1.00 0.00 N ATOM 212 NH2 ARG A 14 -5.429 13.440 -3.884 1.00 0.00 N ATOM 0 H ARG A 14 0.805 8.869 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.347 8.206 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.072 10.230 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.015 10.923 -3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.815 10.762 -5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.899 10.127 -4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.611 12.208 -3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.491 12.841 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.300 13.289 -5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.770 10.625 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.268 11.180 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.996 14.342 -3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.395 13.266 -3.605 1.00 0.00 H new ATOM 226 N ALA A 15 1.243 9.567 -5.733 1.00 0.00 N ATOM 227 CA ALA A 15 1.897 9.767 -7.022 1.00 0.00 C ATOM 228 C ALA A 15 1.985 8.466 -7.812 1.00 0.00 C ATOM 229 O ALA A 15 2.200 8.479 -9.025 1.00 0.00 O ATOM 230 CB ALA A 15 3.303 10.324 -6.806 1.00 0.00 C ATOM 0 H ALA A 15 1.764 9.933 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 15 1.298 10.475 -7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.788 10.472 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.240 11.277 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.886 9.621 -6.211 1.00 0.00 H new ATOM 236 N MET A 16 1.838 7.343 -7.118 1.00 0.00 N ATOM 237 CA MET A 16 1.915 6.025 -7.753 1.00 0.00 C ATOM 238 C MET A 16 0.566 5.315 -7.699 1.00 0.00 C ATOM 239 O MET A 16 0.428 4.193 -8.188 1.00 0.00 O ATOM 240 CB MET A 16 3.001 5.198 -7.042 1.00 0.00 C ATOM 241 CG MET A 16 4.356 5.434 -7.729 1.00 0.00 C ATOM 242 SD MET A 16 5.704 4.860 -6.662 1.00 0.00 S ATOM 243 CE MET A 16 6.060 6.439 -5.852 1.00 0.00 C ATOM 0 H MET A 16 1.664 7.315 -6.113 1.00 0.00 H new ATOM 0 HA MET A 16 2.176 6.142 -8.805 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.060 5.482 -5.991 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.745 4.139 -7.073 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.386 4.906 -8.682 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.482 6.494 -7.948 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.097 6.718 -6.039 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.400 7.209 -6.250 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.898 6.342 -4.778 1.00 0.00 H new ATOM 253 N THR A 17 -0.425 5.971 -7.093 1.00 0.00 N ATOM 254 CA THR A 17 -1.767 5.395 -6.970 1.00 0.00 C ATOM 255 C THR A 17 -2.732 6.031 -7.970 1.00 0.00 C ATOM 256 O THR A 17 -3.849 5.552 -8.159 1.00 0.00 O ATOM 257 CB THR A 17 -2.298 5.608 -5.554 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.332 5.165 -4.614 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.594 4.825 -5.367 1.00 0.00 C ATOM 0 H THR A 17 -0.325 6.899 -6.681 1.00 0.00 H new ATOM 0 HA THR A 17 -1.696 4.328 -7.182 1.00 0.00 H new ATOM 0 HB THR A 17 -2.495 6.669 -5.398 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.589 5.804 -4.582 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.970 4.979 -4.356 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.336 5.172 -6.087 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.404 3.763 -5.525 1.00 0.00 H new ATOM 267 N ARG A 18 -2.288 7.102 -8.616 1.00 0.00 N ATOM 268 CA ARG A 18 -3.114 7.783 -9.609 1.00 0.00 C ATOM 269 C ARG A 18 -3.344 6.864 -10.807 1.00 0.00 C ATOM 270 O ARG A 18 -4.476 6.646 -11.244 1.00 0.00 O ATOM 271 CB ARG A 18 -2.388 9.047 -10.054 1.00 0.00 C ATOM 272 CG ARG A 18 -2.420 10.057 -8.908 1.00 0.00 C ATOM 273 CD ARG A 18 -1.645 11.308 -9.302 1.00 0.00 C ATOM 274 NE ARG A 18 -2.316 11.971 -10.414 1.00 0.00 N ATOM 275 CZ ARG A 18 -1.633 12.643 -11.328 1.00 0.00 C ATOM 276 NH1 ARG A 18 -1.130 12.015 -12.355 1.00 0.00 N ATOM 277 NH2 ARG A 18 -1.457 13.927 -11.192 1.00 0.00 N ATOM 0 H ARG A 18 -1.367 7.517 -8.473 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.081 8.042 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.358 8.816 -10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.865 9.465 -10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.451 10.317 -8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.986 9.617 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.573 11.986 -8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.626 11.043 -9.585 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.332 11.916 -10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.263 11.008 -12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.604 12.531 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.845 14.412 -10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.931 14.447 -11.895 1.00 0.00 H new ATOM 291 N ASN A 19 -2.241 6.327 -11.306 1.00 0.00 N ATOM 292 CA ASN A 19 -2.270 5.418 -12.449 1.00 0.00 C ATOM 293 C ASN A 19 -3.339 4.354 -12.232 1.00 0.00 C ATOM 294 O ASN A 19 -3.895 3.807 -13.186 1.00 0.00 O ATOM 295 CB ASN A 19 -0.910 4.736 -12.607 1.00 0.00 C ATOM 296 CG ASN A 19 0.192 5.784 -12.723 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.337 5.527 -12.348 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.086 6.958 -13.223 1.00 0.00 N ATOM 0 H ASN A 19 -1.307 6.505 -10.936 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.497 5.990 -13.349 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.718 4.088 -11.752 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.914 4.101 -13.493 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.646 7.664 -13.304 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.035 7.169 -13.533 1.00 0.00 H new ATOM 305 N TYR A 20 -3.608 4.070 -10.966 1.00 0.00 N ATOM 306 CA TYR A 20 -4.603 3.072 -10.590 1.00 0.00 C ATOM 307 C TYR A 20 -5.987 3.704 -10.488 1.00 0.00 C ATOM 308 O TYR A 20 -6.114 4.893 -10.192 1.00 0.00 O ATOM 309 CB TYR A 20 -4.209 2.475 -9.242 1.00 0.00 C ATOM 310 CG TYR A 20 -2.932 1.689 -9.402 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.714 2.360 -9.550 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.966 0.292 -9.400 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.528 1.634 -9.696 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.780 -0.438 -9.542 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.558 0.233 -9.690 1.00 0.00 C ATOM 316 OH TYR A 20 0.614 -0.484 -9.828 1.00 0.00 O ATOM 0 H TYR A 20 -3.148 4.520 -10.175 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.639 2.293 -11.352 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.073 3.267 -8.506 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.004 1.828 -8.871 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.689 3.440 -9.552 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.908 -0.225 -9.289 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.412 2.153 -9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.806 -1.518 -9.538 1.00 0.00 H new ATOM 0 HH TYR A 20 0.461 -1.251 -10.419 1.00 0.00 H new ATOM 326 N GLU A 21 -7.029 2.913 -10.752 1.00 0.00 N ATOM 327 CA GLU A 21 -8.402 3.404 -10.698 1.00 0.00 C ATOM 328 C GLU A 21 -9.173 2.720 -9.587 1.00 0.00 C ATOM 329 O GLU A 21 -8.707 1.735 -9.028 1.00 0.00 O ATOM 330 CB GLU A 21 -9.090 3.135 -12.031 1.00 0.00 C ATOM 331 CG GLU A 21 -10.528 3.640 -11.970 1.00 0.00 C ATOM 332 CD GLU A 21 -11.088 3.796 -13.376 1.00 0.00 C ATOM 333 OE1 GLU A 21 -11.522 2.802 -13.934 1.00 0.00 O ATOM 334 OE2 GLU A 21 -11.065 4.906 -13.879 1.00 0.00 O ATOM 0 H GLU A 21 -6.945 1.929 -11.005 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.381 4.476 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.552 3.633 -12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.077 2.067 -12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.143 2.943 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.564 4.596 -11.448 1.00 0.00 H new ATOM 341 N HIS A 22 -10.353 3.254 -9.274 1.00 0.00 N ATOM 342 CA HIS A 22 -11.192 2.691 -8.223 1.00 0.00 C ATOM 343 C HIS A 22 -10.480 2.872 -6.887 1.00 0.00 C ATOM 344 O HIS A 22 -10.945 2.427 -5.841 1.00 0.00 O ATOM 345 CB HIS A 22 -11.471 1.200 -8.521 1.00 0.00 C ATOM 346 CG HIS A 22 -12.452 0.625 -7.537 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.134 0.446 -6.203 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.729 0.143 -7.682 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.194 -0.119 -5.602 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.198 -0.327 -6.458 1.00 0.00 N ATOM 0 H HIS A 22 -10.747 4.075 -9.734 1.00 0.00 H new ATOM 0 HA HIS A 22 -12.153 3.203 -8.181 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.863 1.095 -9.533 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.538 0.637 -8.480 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.253 0.698 -5.756 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.287 0.130 -8.607 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.230 -0.374 -4.553 1.00 0.00 H new ATOM 358 N VAL A 23 -9.337 3.552 -6.943 1.00 0.00 N ATOM 359 CA VAL A 23 -8.529 3.821 -5.757 1.00 0.00 C ATOM 360 C VAL A 23 -8.255 5.317 -5.635 1.00 0.00 C ATOM 361 O VAL A 23 -7.780 5.950 -6.576 1.00 0.00 O ATOM 362 CB VAL A 23 -7.203 3.062 -5.890 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.299 3.336 -4.690 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.485 1.559 -5.979 1.00 0.00 C ATOM 0 H VAL A 23 -8.947 3.930 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.063 3.493 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.696 3.402 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.364 2.787 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.088 4.404 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.799 3.013 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.544 1.017 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.003 1.232 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.109 1.357 -6.849 1.00 0.00 H new ATOM 374 N ASP A 24 -8.542 5.867 -4.460 1.00 0.00 N ATOM 375 CA ASP A 24 -8.313 7.292 -4.196 1.00 0.00 C ATOM 376 C ASP A 24 -7.843 7.467 -2.756 1.00 0.00 C ATOM 377 O ASP A 24 -8.613 7.284 -1.814 1.00 0.00 O ATOM 378 CB ASP A 24 -9.596 8.088 -4.424 1.00 0.00 C ATOM 379 CG ASP A 24 -9.308 9.578 -4.286 1.00 0.00 C ATOM 380 OD1 ASP A 24 -8.198 9.913 -3.903 1.00 0.00 O ATOM 381 OD2 ASP A 24 -10.198 10.362 -4.571 1.00 0.00 O ATOM 0 H ASP A 24 -8.934 5.351 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.549 7.664 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.996 7.875 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.355 7.786 -3.703 1.00 0.00 H new ATOM 386 N ILE A 25 -6.565 7.792 -2.590 1.00 0.00 N ATOM 387 CA ILE A 25 -5.988 7.944 -1.257 1.00 0.00 C ATOM 388 C ILE A 25 -6.308 9.295 -0.614 1.00 0.00 C ATOM 389 O ILE A 25 -5.645 10.300 -0.865 1.00 0.00 O ATOM 390 CB ILE A 25 -4.477 7.710 -1.338 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.240 6.267 -1.797 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.840 7.921 0.036 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.756 6.034 -2.101 1.00 0.00 C ATOM 0 H ILE A 25 -5.912 7.955 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.444 7.198 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.029 8.412 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.571 5.575 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.836 6.060 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.765 7.752 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.027 8.941 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.273 7.220 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.608 5.004 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.436 6.713 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.167 6.220 -1.203 1.00 0.00 H new ATOM 405 N GLN A 26 -7.334 9.277 0.244 1.00 0.00 N ATOM 406 CA GLN A 26 -7.771 10.465 0.985 1.00 0.00 C ATOM 407 C GLN A 26 -7.479 10.261 2.466 1.00 0.00 C ATOM 408 O GLN A 26 -7.633 11.166 3.285 1.00 0.00 O ATOM 409 CB GLN A 26 -9.269 10.704 0.782 1.00 0.00 C ATOM 410 CG GLN A 26 -9.527 11.134 -0.662 1.00 0.00 C ATOM 411 CD GLN A 26 -11.019 11.359 -0.878 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.533 12.436 -0.577 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.749 10.402 -1.380 1.00 0.00 N ATOM 0 H GLN A 26 -7.883 8.441 0.444 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.230 11.336 0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.827 9.795 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.622 11.473 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.977 12.049 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.162 10.370 -1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.320 9.510 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.749 10.545 -1.524 1.00 0.00 H new ATOM 422 N ASN A 27 -7.040 9.053 2.785 1.00 0.00 N ATOM 423 CA ASN A 27 -6.696 8.681 4.143 1.00 0.00 C ATOM 424 C ASN A 27 -6.172 7.254 4.133 1.00 0.00 C ATOM 425 O ASN A 27 -6.722 6.391 3.452 1.00 0.00 O ATOM 426 CB ASN A 27 -7.919 8.789 5.067 1.00 0.00 C ATOM 427 CG ASN A 27 -9.177 8.328 4.337 1.00 0.00 C ATOM 428 OD1 ASN A 27 -10.290 8.549 4.818 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.070 7.698 3.200 1.00 0.00 N ATOM 0 H ASN A 27 -6.913 8.303 2.105 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.932 9.360 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.764 8.181 5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.041 9.819 5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.908 7.388 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.148 7.516 2.803 1.00 0.00 H new ATOM 436 N PHE A 28 -5.110 7.012 4.876 1.00 0.00 N ATOM 437 CA PHE A 28 -4.529 5.685 4.918 1.00 0.00 C ATOM 438 C PHE A 28 -5.538 4.673 5.442 1.00 0.00 C ATOM 439 O PHE A 28 -5.287 3.466 5.454 1.00 0.00 O ATOM 440 CB PHE A 28 -3.300 5.692 5.828 1.00 0.00 C ATOM 441 CG PHE A 28 -2.177 6.435 5.143 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.530 5.858 4.046 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.786 7.699 5.601 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.492 6.543 3.405 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.747 8.383 4.961 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.100 7.804 3.864 1.00 0.00 C ATOM 0 H PHE A 28 -4.637 7.708 5.452 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.240 5.401 3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.540 6.168 6.779 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.993 4.670 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.832 4.883 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.286 8.146 6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.006 6.098 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.444 9.358 5.314 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.703 8.332 3.371 1.00 0.00 H new ATOM 456 N SER A 29 -6.669 5.186 5.905 1.00 0.00 N ATOM 457 CA SER A 29 -7.716 4.350 6.485 1.00 0.00 C ATOM 458 C SER A 29 -8.841 3.992 5.519 1.00 0.00 C ATOM 459 O SER A 29 -8.923 2.872 5.018 1.00 0.00 O ATOM 460 CB SER A 29 -8.322 5.095 7.675 1.00 0.00 C ATOM 461 OG SER A 29 -8.791 6.366 7.239 1.00 0.00 O ATOM 0 H SER A 29 -6.888 6.182 5.891 1.00 0.00 H new ATOM 0 HA SER A 29 -7.242 3.411 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.142 4.518 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.576 5.219 8.461 1.00 0.00 H new ATOM 0 HG SER A 29 -9.182 6.848 7.997 1.00 0.00 H new ATOM 467 N SER A 30 -9.726 4.945 5.298 1.00 0.00 N ATOM 468 CA SER A 30 -10.888 4.731 4.443 1.00 0.00 C ATOM 469 C SER A 30 -10.518 4.316 3.031 1.00 0.00 C ATOM 470 O SER A 30 -11.170 3.456 2.439 1.00 0.00 O ATOM 471 CB SER A 30 -11.725 6.012 4.368 1.00 0.00 C ATOM 472 OG SER A 30 -13.030 5.691 3.905 1.00 0.00 O ATOM 0 H SER A 30 -9.666 5.881 5.699 1.00 0.00 H new ATOM 0 HA SER A 30 -11.455 3.917 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.780 6.483 5.350 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.254 6.730 3.696 1.00 0.00 H new ATOM 0 HG SER A 30 -13.570 6.507 3.857 1.00 0.00 H new ATOM 478 N SER A 31 -9.502 4.946 2.479 1.00 0.00 N ATOM 479 CA SER A 31 -9.099 4.642 1.119 1.00 0.00 C ATOM 480 C SER A 31 -8.391 3.297 1.029 1.00 0.00 C ATOM 481 O SER A 31 -7.911 2.911 -0.038 1.00 0.00 O ATOM 482 CB SER A 31 -8.188 5.745 0.596 1.00 0.00 C ATOM 483 OG SER A 31 -7.773 5.398 -0.716 1.00 0.00 O ATOM 0 H SER A 31 -8.945 5.664 2.943 1.00 0.00 H new ATOM 0 HA SER A 31 -9.999 4.584 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.714 6.699 0.587 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.323 5.864 1.249 1.00 0.00 H new ATOM 0 HG SER A 31 -8.471 5.649 -1.357 1.00 0.00 H new ATOM 489 N TRP A 32 -8.321 2.590 2.154 1.00 0.00 N ATOM 490 CA TRP A 32 -7.658 1.289 2.206 1.00 0.00 C ATOM 491 C TRP A 32 -8.645 0.164 2.522 1.00 0.00 C ATOM 492 O TRP A 32 -8.290 -1.013 2.451 1.00 0.00 O ATOM 493 CB TRP A 32 -6.592 1.348 3.286 1.00 0.00 C ATOM 494 CG TRP A 32 -5.480 2.214 2.829 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.570 3.546 2.642 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.118 1.841 2.503 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.345 4.011 2.205 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.414 2.998 2.118 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.438 0.619 2.506 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.074 2.946 1.752 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.087 0.558 2.133 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.405 1.721 1.761 1.00 0.00 C ATOM 0 H TRP A 32 -8.716 2.896 3.043 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.219 1.075 1.231 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.016 1.739 4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.222 0.346 3.503 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.451 4.148 2.806 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.153 4.986 1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.956 -0.283 2.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.554 3.847 1.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.571 -0.391 2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.363 1.671 1.481 1.00 0.00 H new ATOM 513 N SER A 33 -9.869 0.522 2.889 1.00 0.00 N ATOM 514 CA SER A 33 -10.873 -0.474 3.230 1.00 0.00 C ATOM 515 C SER A 33 -11.047 -1.492 2.106 1.00 0.00 C ATOM 516 O SER A 33 -11.235 -2.681 2.365 1.00 0.00 O ATOM 517 CB SER A 33 -12.208 0.216 3.499 1.00 0.00 C ATOM 518 OG SER A 33 -12.105 1.002 4.679 1.00 0.00 O ATOM 0 H SER A 33 -10.188 1.488 2.958 1.00 0.00 H new ATOM 0 HA SER A 33 -10.538 -1.002 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.481 0.846 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.998 -0.527 3.612 1.00 0.00 H new ATOM 0 HG SER A 33 -12.446 0.492 5.443 1.00 0.00 H new ATOM 524 N SER A 34 -10.999 -1.029 0.859 1.00 0.00 N ATOM 525 CA SER A 34 -11.167 -1.921 -0.284 1.00 0.00 C ATOM 526 C SER A 34 -10.022 -2.924 -0.390 1.00 0.00 C ATOM 527 O SER A 34 -10.169 -3.978 -1.010 1.00 0.00 O ATOM 528 CB SER A 34 -11.227 -1.101 -1.573 1.00 0.00 C ATOM 529 OG SER A 34 -11.865 -1.869 -2.585 1.00 0.00 O ATOM 0 H SER A 34 -10.847 -0.050 0.616 1.00 0.00 H new ATOM 0 HA SER A 34 -12.096 -2.472 -0.138 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.775 -0.174 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.221 -0.824 -1.889 1.00 0.00 H new ATOM 0 HG SER A 34 -12.669 -1.401 -2.893 1.00 0.00 H new ATOM 535 N GLY A 35 -8.875 -2.579 0.177 1.00 0.00 N ATOM 536 CA GLY A 35 -7.711 -3.453 0.091 1.00 0.00 C ATOM 537 C GLY A 35 -7.035 -3.244 -1.249 1.00 0.00 C ATOM 538 O GLY A 35 -5.943 -3.750 -1.507 1.00 0.00 O ATOM 0 H GLY A 35 -8.724 -1.713 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.016 -3.235 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.013 -4.494 0.202 1.00 0.00 H new ATOM 542 N MET A 36 -7.703 -2.465 -2.089 1.00 0.00 N ATOM 543 CA MET A 36 -7.205 -2.141 -3.411 1.00 0.00 C ATOM 544 C MET A 36 -5.883 -1.392 -3.315 1.00 0.00 C ATOM 545 O MET A 36 -5.050 -1.465 -4.216 1.00 0.00 O ATOM 546 CB MET A 36 -8.242 -1.280 -4.142 1.00 0.00 C ATOM 547 CG MET A 36 -9.584 -2.021 -4.220 1.00 0.00 C ATOM 548 SD MET A 36 -9.587 -3.130 -5.654 1.00 0.00 S ATOM 549 CE MET A 36 -10.648 -2.122 -6.722 1.00 0.00 C ATOM 0 H MET A 36 -8.605 -2.042 -1.869 1.00 0.00 H new ATOM 0 HA MET A 36 -7.036 -3.064 -3.965 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.371 -0.332 -3.620 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.888 -1.046 -5.146 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.749 -2.592 -3.306 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.402 -1.305 -4.300 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.587 -2.490 -7.746 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.679 -2.185 -6.374 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.317 -1.084 -6.689 1.00 0.00 H new ATOM 559 N ALA A 37 -5.705 -0.657 -2.223 1.00 0.00 N ATOM 560 CA ALA A 37 -4.484 0.119 -2.033 1.00 0.00 C ATOM 561 C ALA A 37 -3.258 -0.785 -1.855 1.00 0.00 C ATOM 562 O ALA A 37 -2.244 -0.595 -2.525 1.00 0.00 O ATOM 563 CB ALA A 37 -4.632 1.035 -0.819 1.00 0.00 C ATOM 0 H ALA A 37 -6.382 -0.582 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.330 0.719 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.716 1.611 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.469 1.716 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.817 0.433 0.071 1.00 0.00 H new ATOM 569 N PHE A 38 -3.344 -1.754 -0.943 1.00 0.00 N ATOM 570 CA PHE A 38 -2.211 -2.649 -0.691 1.00 0.00 C ATOM 571 C PHE A 38 -1.790 -3.379 -1.968 1.00 0.00 C ATOM 572 O PHE A 38 -0.600 -3.510 -2.249 1.00 0.00 O ATOM 573 CB PHE A 38 -2.567 -3.678 0.411 1.00 0.00 C ATOM 574 CG PHE A 38 -2.236 -3.120 1.782 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.894 -2.917 2.150 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.259 -2.811 2.680 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.589 -2.401 3.420 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.950 -2.298 3.945 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.618 -2.092 4.312 1.00 0.00 C ATOM 0 H PHE A 38 -4.171 -1.939 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.374 -2.039 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.627 -3.925 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.016 -4.603 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.100 -3.157 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.290 -2.968 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.440 -2.243 3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.743 -2.061 4.639 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.384 -1.693 5.288 1.00 0.00 H new ATOM 589 N CYS A 39 -2.762 -3.860 -2.724 1.00 0.00 N ATOM 590 CA CYS A 39 -2.461 -4.581 -3.954 1.00 0.00 C ATOM 591 C CYS A 39 -1.931 -3.641 -5.033 1.00 0.00 C ATOM 592 O CYS A 39 -0.953 -3.946 -5.716 1.00 0.00 O ATOM 593 CB CYS A 39 -3.718 -5.284 -4.464 1.00 0.00 C ATOM 594 SG CYS A 39 -4.860 -4.062 -5.154 1.00 0.00 S ATOM 0 H CYS A 39 -3.756 -3.767 -2.514 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.689 -5.318 -3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.453 -6.019 -5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.199 -5.827 -3.650 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.836 -2.986 -4.425 1.00 0.00 H new ATOM 600 N ALA A 40 -2.606 -2.509 -5.190 1.00 0.00 N ATOM 601 CA ALA A 40 -2.241 -1.523 -6.202 1.00 0.00 C ATOM 602 C ALA A 40 -0.841 -0.949 -5.990 1.00 0.00 C ATOM 603 O ALA A 40 -0.081 -0.781 -6.941 1.00 0.00 O ATOM 604 CB ALA A 40 -3.257 -0.381 -6.166 1.00 0.00 C ATOM 0 H ALA A 40 -3.415 -2.249 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.243 -2.028 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.995 0.363 -6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.252 -0.773 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.249 0.082 -5.179 1.00 0.00 H new ATOM 610 N LEU A 41 -0.521 -0.628 -4.745 1.00 0.00 N ATOM 611 CA LEU A 41 0.779 -0.046 -4.417 1.00 0.00 C ATOM 612 C LEU A 41 1.911 -1.036 -4.700 1.00 0.00 C ATOM 613 O LEU A 41 2.956 -0.668 -5.234 1.00 0.00 O ATOM 614 CB LEU A 41 0.767 0.366 -2.941 1.00 0.00 C ATOM 615 CG LEU A 41 2.055 1.104 -2.558 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.192 2.406 -3.369 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.002 1.429 -1.061 1.00 0.00 C ATOM 0 H LEU A 41 -1.140 -0.759 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 41 0.957 0.829 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.093 1.007 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.653 -0.519 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 41 2.916 0.473 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.112 2.917 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.222 2.171 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.339 3.053 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.911 1.955 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.137 2.060 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.920 0.504 -0.491 1.00 0.00 H new ATOM 629 N ILE A 42 1.689 -2.293 -4.343 1.00 0.00 N ATOM 630 CA ILE A 42 2.682 -3.346 -4.555 1.00 0.00 C ATOM 631 C ILE A 42 2.934 -3.588 -6.048 1.00 0.00 C ATOM 632 O ILE A 42 4.064 -3.842 -6.459 1.00 0.00 O ATOM 633 CB ILE A 42 2.181 -4.645 -3.877 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.437 -4.576 -2.358 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.865 -5.894 -4.457 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.949 -4.500 -2.039 1.00 0.00 C ATOM 0 H ILE A 42 0.827 -2.613 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 42 3.628 -3.033 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 42 1.112 -4.727 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.932 -3.704 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.006 -5.453 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.485 -6.783 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.653 -5.962 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.942 -5.823 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.091 -4.453 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.449 -5.385 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.374 -3.608 -2.500 1.00 0.00 H new ATOM 648 N HIS A 43 1.869 -3.557 -6.834 1.00 0.00 N ATOM 649 CA HIS A 43 1.975 -3.822 -8.267 1.00 0.00 C ATOM 650 C HIS A 43 2.999 -2.905 -8.933 1.00 0.00 C ATOM 651 O HIS A 43 3.857 -3.359 -9.693 1.00 0.00 O ATOM 652 CB HIS A 43 0.603 -3.603 -8.914 1.00 0.00 C ATOM 653 CG HIS A 43 0.657 -3.955 -10.375 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.655 -2.988 -11.368 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.696 -5.163 -11.028 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.690 -3.624 -12.554 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.715 -4.951 -12.403 1.00 0.00 N ATOM 0 H HIS A 43 0.924 -3.352 -6.509 1.00 0.00 H new ATOM 0 HA HIS A 43 2.306 -4.852 -8.403 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.146 -4.216 -8.412 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.298 -2.564 -8.794 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.710 -6.130 -10.547 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.697 -3.123 -13.511 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.742 -5.658 -13.138 1.00 0.00 H new ATOM 665 N LYS A 44 2.895 -1.618 -8.647 1.00 0.00 N ATOM 666 CA LYS A 44 3.796 -0.628 -9.230 1.00 0.00 C ATOM 667 C LYS A 44 5.249 -1.101 -9.203 1.00 0.00 C ATOM 668 O LYS A 44 6.042 -0.762 -10.084 1.00 0.00 O ATOM 669 CB LYS A 44 3.680 0.701 -8.447 1.00 0.00 C ATOM 670 CG LYS A 44 3.486 1.884 -9.408 1.00 0.00 C ATOM 671 CD LYS A 44 4.738 2.065 -10.281 1.00 0.00 C ATOM 672 CE LYS A 44 5.946 2.399 -9.401 1.00 0.00 C ATOM 673 NZ LYS A 44 6.891 3.249 -10.166 1.00 0.00 N ATOM 0 H LYS A 44 2.196 -1.230 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 44 3.505 -0.483 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.840 0.648 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.578 0.856 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.615 1.711 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.293 2.795 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.931 1.154 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.574 2.862 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.621 2.918 -8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.441 1.482 -9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.713 3.477 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.209 2.738 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.415 4.129 -10.451 1.00 0.00 H new ATOM 687 N PHE A 45 5.595 -1.854 -8.171 1.00 0.00 N ATOM 688 CA PHE A 45 6.962 -2.344 -8.006 1.00 0.00 C ATOM 689 C PHE A 45 7.130 -3.755 -8.566 1.00 0.00 C ATOM 690 O PHE A 45 8.231 -4.150 -8.942 1.00 0.00 O ATOM 691 CB PHE A 45 7.314 -2.332 -6.515 1.00 0.00 C ATOM 692 CG PHE A 45 6.738 -1.098 -5.849 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.845 0.160 -6.461 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.093 -1.215 -4.611 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.310 1.293 -5.833 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.562 -0.085 -3.987 1.00 0.00 C ATOM 697 CZ PHE A 45 5.671 1.171 -4.597 1.00 0.00 C ATOM 0 H PHE A 45 4.952 -2.141 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 45 7.633 -1.690 -8.562 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.923 -3.229 -6.035 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.397 -2.350 -6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.340 0.255 -7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.006 -2.182 -4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.392 2.261 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.066 -0.179 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.261 2.045 -4.112 1.00 0.00 H new ATOM 707 N PHE A 46 6.044 -4.520 -8.587 1.00 0.00 N ATOM 708 CA PHE A 46 6.092 -5.903 -9.068 1.00 0.00 C ATOM 709 C PHE A 46 5.035 -6.158 -10.157 1.00 0.00 C ATOM 710 O PHE A 46 3.871 -6.363 -9.836 1.00 0.00 O ATOM 711 CB PHE A 46 5.846 -6.809 -7.868 1.00 0.00 C ATOM 712 CG PHE A 46 6.937 -6.567 -6.859 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.181 -7.175 -7.019 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.709 -5.719 -5.770 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.199 -6.941 -6.090 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.723 -5.482 -4.840 1.00 0.00 C ATOM 717 CZ PHE A 46 8.967 -6.093 -4.998 1.00 0.00 C ATOM 0 H PHE A 46 5.122 -4.211 -8.279 1.00 0.00 H new ATOM 0 HA PHE A 46 7.064 -6.106 -9.518 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.870 -6.601 -7.429 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.840 -7.854 -8.177 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.359 -7.827 -7.861 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.746 -5.246 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.163 -7.413 -6.213 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.545 -4.827 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.752 -5.913 -4.279 1.00 0.00 H new ATOM 727 N PRO A 47 5.398 -6.150 -11.435 1.00 0.00 N ATOM 728 CA PRO A 47 4.415 -6.396 -12.535 1.00 0.00 C ATOM 729 C PRO A 47 4.026 -7.872 -12.628 1.00 0.00 C ATOM 730 O PRO A 47 2.883 -8.209 -12.934 1.00 0.00 O ATOM 731 CB PRO A 47 5.141 -5.935 -13.825 1.00 0.00 C ATOM 732 CG PRO A 47 6.501 -5.443 -13.402 1.00 0.00 C ATOM 733 CD PRO A 47 6.748 -5.923 -11.970 1.00 0.00 C ATOM 0 HA PRO A 47 3.483 -5.857 -12.367 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.230 -6.758 -14.534 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.581 -5.144 -14.323 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.271 -5.826 -14.071 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.547 -4.355 -13.453 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.344 -6.836 -11.952 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.289 -5.178 -11.387 1.00 0.00 H new ATOM 741 N GLU A 48 4.993 -8.740 -12.355 1.00 0.00 N ATOM 742 CA GLU A 48 4.751 -10.173 -12.400 1.00 0.00 C ATOM 743 C GLU A 48 3.769 -10.538 -11.297 1.00 0.00 C ATOM 744 O GLU A 48 3.172 -11.615 -11.294 1.00 0.00 O ATOM 745 CB GLU A 48 6.073 -10.935 -12.217 1.00 0.00 C ATOM 746 CG GLU A 48 5.841 -12.432 -12.438 1.00 0.00 C ATOM 747 CD GLU A 48 7.158 -13.194 -12.329 1.00 0.00 C ATOM 748 OE1 GLU A 48 7.871 -12.976 -11.363 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.437 -13.983 -13.218 1.00 0.00 O ATOM 0 H GLU A 48 5.945 -8.477 -12.102 1.00 0.00 H new ATOM 0 HA GLU A 48 4.330 -10.449 -13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.818 -10.565 -12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.468 -10.762 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.132 -12.810 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.398 -12.597 -13.420 1.00 0.00 H new ATOM 756 N ALA A 49 3.625 -9.608 -10.361 1.00 0.00 N ATOM 757 CA ALA A 49 2.732 -9.782 -9.216 1.00 0.00 C ATOM 758 C ALA A 49 1.391 -10.357 -9.617 1.00 0.00 C ATOM 759 O ALA A 49 1.096 -11.528 -9.375 1.00 0.00 O ATOM 760 CB ALA A 49 2.479 -8.428 -8.556 1.00 0.00 C ATOM 0 H ALA A 49 4.120 -8.716 -10.371 1.00 0.00 H new ATOM 0 HA ALA A 49 3.222 -10.476 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.813 -8.558 -7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.425 -8.006 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.018 -7.753 -9.276 1.00 0.00 H new ATOM 766 N PHE A 50 0.588 -9.516 -10.243 1.00 0.00 N ATOM 767 CA PHE A 50 -0.728 -9.907 -10.697 1.00 0.00 C ATOM 768 C PHE A 50 -1.306 -8.819 -11.589 1.00 0.00 C ATOM 769 O PHE A 50 -0.831 -7.681 -11.588 1.00 0.00 O ATOM 770 CB PHE A 50 -1.655 -10.139 -9.495 1.00 0.00 C ATOM 771 CG PHE A 50 -1.393 -9.091 -8.433 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.885 -7.788 -8.593 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.660 -9.424 -7.286 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.644 -6.822 -7.607 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.418 -8.456 -6.300 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.910 -7.155 -6.461 1.00 0.00 C ATOM 0 H PHE A 50 0.831 -8.547 -10.449 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.646 -10.834 -11.264 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.696 -10.094 -9.814 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.490 -11.135 -9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.450 -7.529 -9.476 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.281 -10.427 -7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.025 -5.819 -7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.148 -8.714 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.724 -6.409 -5.703 1.00 0.00 H new ATOM 786 N ASP A 51 -2.351 -9.165 -12.327 1.00 0.00 N ATOM 787 CA ASP A 51 -3.010 -8.198 -13.196 1.00 0.00 C ATOM 788 C ASP A 51 -4.061 -7.436 -12.393 1.00 0.00 C ATOM 789 O ASP A 51 -5.118 -7.975 -12.066 1.00 0.00 O ATOM 790 CB ASP A 51 -3.676 -8.920 -14.372 1.00 0.00 C ATOM 791 CG ASP A 51 -2.635 -9.319 -15.411 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.458 -9.211 -15.114 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.032 -9.729 -16.491 1.00 0.00 O ATOM 0 H ASP A 51 -2.759 -10.100 -12.343 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.271 -7.498 -13.587 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.199 -9.807 -14.013 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.424 -8.272 -14.828 1.00 0.00 H new ATOM 798 N TYR A 52 -3.754 -6.187 -12.062 1.00 0.00 N ATOM 799 CA TYR A 52 -4.663 -5.357 -11.277 1.00 0.00 C ATOM 800 C TYR A 52 -5.954 -5.105 -12.026 1.00 0.00 C ATOM 801 O TYR A 52 -6.968 -4.739 -11.434 1.00 0.00 O ATOM 802 CB TYR A 52 -4.003 -4.015 -10.977 1.00 0.00 C ATOM 803 CG TYR A 52 -4.955 -3.132 -10.196 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.853 -2.296 -10.876 1.00 0.00 C ATOM 805 CD2 TYR A 52 -4.942 -3.151 -8.797 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.737 -1.482 -10.155 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.826 -2.337 -8.077 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.723 -1.502 -8.756 1.00 0.00 C ATOM 809 OH TYR A 52 -7.594 -0.704 -8.044 1.00 0.00 O ATOM 0 H TYR A 52 -2.883 -5.726 -12.325 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.887 -5.886 -10.351 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.087 -4.170 -10.407 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.719 -3.524 -11.908 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.863 -2.280 -11.956 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.250 -3.793 -8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.429 -0.839 -10.679 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.816 -2.353 -6.997 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.838 0.076 -8.584 1.00 0.00 H new ATOM 819 N ALA A 53 -5.911 -5.302 -13.331 1.00 0.00 N ATOM 820 CA ALA A 53 -7.087 -5.086 -14.160 1.00 0.00 C ATOM 821 C ALA A 53 -8.000 -6.306 -14.127 1.00 0.00 C ATOM 822 O ALA A 53 -9.194 -6.201 -14.404 1.00 0.00 O ATOM 823 CB ALA A 53 -6.653 -4.811 -15.599 1.00 0.00 C ATOM 0 H ALA A 53 -5.081 -5.609 -13.839 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.637 -4.229 -13.770 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.534 -4.649 -16.220 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.022 -3.922 -15.625 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.093 -5.665 -15.980 1.00 0.00 H new ATOM 829 N GLU A 54 -7.431 -7.464 -13.795 1.00 0.00 N ATOM 830 CA GLU A 54 -8.191 -8.696 -13.734 1.00 0.00 C ATOM 831 C GLU A 54 -8.867 -8.849 -12.380 1.00 0.00 C ATOM 832 O GLU A 54 -9.778 -9.661 -12.223 1.00 0.00 O ATOM 833 CB GLU A 54 -7.235 -9.870 -13.938 1.00 0.00 C ATOM 834 CG GLU A 54 -6.819 -9.971 -15.410 1.00 0.00 C ATOM 835 CD GLU A 54 -5.799 -11.092 -15.585 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.456 -11.716 -14.592 1.00 0.00 O ATOM 837 OE2 GLU A 54 -5.374 -11.312 -16.708 1.00 0.00 O ATOM 0 H GLU A 54 -6.443 -7.567 -13.565 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.957 -8.676 -14.509 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.352 -9.741 -13.312 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.715 -10.797 -13.625 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.693 -10.163 -16.032 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.393 -9.024 -15.742 1.00 0.00 H new ATOM 844 N LEU A 55 -8.410 -8.077 -11.401 1.00 0.00 N ATOM 845 CA LEU A 55 -8.970 -8.147 -10.061 1.00 0.00 C ATOM 846 C LEU A 55 -10.232 -7.307 -9.950 1.00 0.00 C ATOM 847 O LEU A 55 -10.384 -6.296 -10.636 1.00 0.00 O ATOM 848 CB LEU A 55 -7.916 -7.655 -9.069 1.00 0.00 C ATOM 849 CG LEU A 55 -6.796 -8.708 -8.948 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.597 -8.122 -8.181 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.322 -9.967 -8.217 1.00 0.00 C ATOM 0 H LEU A 55 -7.656 -7.399 -11.511 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.243 -9.178 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.502 -6.704 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.372 -7.479 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.473 -8.989 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.813 -8.875 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.213 -7.253 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.915 -7.823 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.522 -10.703 -8.138 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.662 -9.692 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.153 -10.394 -8.779 1.00 0.00 H new ATOM 863 N ASP A 56 -11.143 -7.748 -9.083 1.00 0.00 N ATOM 864 CA ASP A 56 -12.411 -7.053 -8.873 1.00 0.00 C ATOM 865 C ASP A 56 -12.557 -6.647 -7.397 1.00 0.00 C ATOM 866 O ASP A 56 -11.827 -7.148 -6.542 1.00 0.00 O ATOM 867 CB ASP A 56 -13.565 -7.992 -9.286 1.00 0.00 C ATOM 868 CG ASP A 56 -13.925 -7.798 -10.756 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.753 -6.946 -11.033 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.371 -8.506 -11.580 1.00 0.00 O ATOM 0 H ASP A 56 -11.025 -8.586 -8.514 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.439 -6.147 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.276 -9.028 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.439 -7.796 -8.665 1.00 0.00 H new ATOM 875 N PRO A 57 -13.490 -5.770 -7.074 1.00 0.00 N ATOM 876 CA PRO A 57 -13.714 -5.331 -5.668 1.00 0.00 C ATOM 877 C PRO A 57 -14.428 -6.425 -4.883 1.00 0.00 C ATOM 878 O PRO A 57 -14.521 -6.376 -3.660 1.00 0.00 O ATOM 879 CB PRO A 57 -14.588 -4.057 -5.781 1.00 0.00 C ATOM 880 CG PRO A 57 -14.838 -3.836 -7.252 1.00 0.00 C ATOM 881 CD PRO A 57 -14.438 -5.116 -7.987 1.00 0.00 C ATOM 0 HA PRO A 57 -12.783 -5.130 -5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.527 -4.182 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.081 -3.199 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.888 -3.604 -7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.257 -2.988 -7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.303 -5.749 -8.185 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.977 -4.896 -8.950 1.00 0.00 H new ATOM 889 N ALA A 58 -14.940 -7.398 -5.620 1.00 0.00 N ATOM 890 CA ALA A 58 -15.657 -8.515 -5.023 1.00 0.00 C ATOM 891 C ALA A 58 -14.673 -9.527 -4.456 1.00 0.00 C ATOM 892 O ALA A 58 -15.058 -10.481 -3.779 1.00 0.00 O ATOM 893 CB ALA A 58 -16.521 -9.191 -6.088 1.00 0.00 C ATOM 0 H ALA A 58 -14.872 -7.437 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.288 -8.142 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.059 -10.028 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.236 -8.471 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.885 -9.556 -6.894 1.00 0.00 H new ATOM 899 N LYS A 59 -13.396 -9.316 -4.765 1.00 0.00 N ATOM 900 CA LYS A 59 -12.327 -10.212 -4.321 1.00 0.00 C ATOM 901 C LYS A 59 -11.400 -9.512 -3.326 1.00 0.00 C ATOM 902 O LYS A 59 -10.189 -9.451 -3.534 1.00 0.00 O ATOM 903 CB LYS A 59 -11.517 -10.659 -5.545 1.00 0.00 C ATOM 904 CG LYS A 59 -12.370 -11.588 -6.423 1.00 0.00 C ATOM 905 CD LYS A 59 -11.600 -11.945 -7.706 1.00 0.00 C ATOM 906 CE LYS A 59 -10.339 -12.743 -7.350 1.00 0.00 C ATOM 907 NZ LYS A 59 -9.232 -11.791 -7.058 1.00 0.00 N ATOM 0 H LYS A 59 -13.073 -8.527 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.773 -11.073 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.201 -9.789 -6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.612 -11.176 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.619 -12.496 -5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.311 -11.101 -6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.235 -12.529 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.327 -11.036 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.527 -13.379 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.063 -13.400 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.393 -12.052 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.528 -10.826 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.000 -11.828 -6.045 1.00 0.00 H new ATOM 921 N ARG A 60 -11.972 -8.977 -2.249 1.00 0.00 N ATOM 922 CA ARG A 60 -11.176 -8.271 -1.242 1.00 0.00 C ATOM 923 C ARG A 60 -10.292 -9.226 -0.432 1.00 0.00 C ATOM 924 O ARG A 60 -9.107 -8.964 -0.237 1.00 0.00 O ATOM 925 CB ARG A 60 -12.109 -7.512 -0.295 1.00 0.00 C ATOM 926 CG ARG A 60 -13.039 -6.623 -1.120 1.00 0.00 C ATOM 927 CD ARG A 60 -13.854 -5.723 -0.191 1.00 0.00 C ATOM 928 NE ARG A 60 -14.731 -6.529 0.653 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.967 -6.838 0.273 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.173 -7.402 -0.885 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.974 -6.573 1.060 1.00 0.00 N ATOM 0 H ARG A 60 -12.972 -9.017 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.519 -7.577 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.691 -8.214 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.528 -6.906 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.456 -6.015 -1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.707 -7.239 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.184 -5.129 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.447 -5.023 -0.780 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.388 -6.862 1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.385 -7.606 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.122 -7.639 -1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.812 -6.130 1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.923 -6.809 0.771 1.00 0.00 H new ATOM 945 N ARG A 61 -10.867 -10.321 0.054 1.00 0.00 N ATOM 946 CA ARG A 61 -10.099 -11.267 0.861 1.00 0.00 C ATOM 947 C ARG A 61 -8.856 -11.718 0.112 1.00 0.00 C ATOM 948 O ARG A 61 -7.749 -11.722 0.653 1.00 0.00 O ATOM 949 CB ARG A 61 -10.951 -12.499 1.156 1.00 0.00 C ATOM 950 CG ARG A 61 -12.101 -12.122 2.087 1.00 0.00 C ATOM 951 CD ARG A 61 -12.981 -13.348 2.327 1.00 0.00 C ATOM 952 NE ARG A 61 -14.121 -12.994 3.165 1.00 0.00 N ATOM 953 CZ ARG A 61 -15.047 -13.893 3.484 1.00 0.00 C ATOM 954 NH1 ARG A 61 -14.726 -14.935 4.201 1.00 0.00 N ATOM 955 NH2 ARG A 61 -16.279 -13.735 3.081 1.00 0.00 N ATOM 0 H ARG A 61 -11.844 -10.574 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.810 -10.771 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.344 -12.912 0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.338 -13.275 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.710 -11.750 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.691 -11.317 1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.330 -13.746 1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.398 -14.135 2.806 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.209 -12.039 3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.764 -15.060 4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.437 -15.624 4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.532 -12.921 2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.988 -14.426 3.326 1.00 0.00 H new ATOM 969 N HIS A 62 -9.056 -12.091 -1.138 1.00 0.00 N ATOM 970 CA HIS A 62 -7.970 -12.546 -1.982 1.00 0.00 C ATOM 971 C HIS A 62 -6.974 -11.419 -2.241 1.00 0.00 C ATOM 972 O HIS A 62 -5.774 -11.653 -2.335 1.00 0.00 O ATOM 973 CB HIS A 62 -8.543 -13.036 -3.310 1.00 0.00 C ATOM 974 CG HIS A 62 -9.249 -14.352 -3.105 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.561 -15.525 -2.830 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.577 -14.698 -3.138 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.470 -16.510 -2.711 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.714 -16.061 -2.889 1.00 0.00 N ATOM 0 H HIS A 62 -9.969 -12.087 -1.593 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.447 -13.357 -1.476 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.238 -12.298 -3.711 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.743 -13.152 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.392 -14.016 -3.328 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.223 -17.539 -2.497 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.579 -16.600 -2.851 1.00 0.00 H new ATOM 986 N ASN A 63 -7.486 -10.198 -2.350 1.00 0.00 N ATOM 987 CA ASN A 63 -6.639 -9.031 -2.601 1.00 0.00 C ATOM 988 C ASN A 63 -5.679 -8.804 -1.448 1.00 0.00 C ATOM 989 O ASN A 63 -4.495 -8.542 -1.652 1.00 0.00 O ATOM 990 CB ASN A 63 -7.518 -7.791 -2.769 1.00 0.00 C ATOM 991 CG ASN A 63 -6.729 -6.637 -3.382 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.560 -5.597 -2.752 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.251 -6.752 -4.588 1.00 0.00 N ATOM 0 H ASN A 63 -8.481 -9.988 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.063 -9.211 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.371 -8.030 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.916 -7.489 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.736 -5.978 -5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.391 -7.616 -5.112 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.192 -8.923 -0.234 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.346 -8.734 0.932 1.00 0.00 C ATOM 1002 C PHE A 64 -4.284 -9.831 0.980 1.00 0.00 C ATOM 1003 O PHE A 64 -3.090 -9.548 1.031 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.191 -8.747 2.214 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.921 -7.424 2.372 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.206 -6.267 2.712 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.308 -7.355 2.182 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.876 -5.045 2.856 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.976 -6.133 2.329 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.261 -4.979 2.665 1.00 0.00 C ATOM 0 H PHE A 64 -7.167 -9.144 -0.033 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.851 -7.765 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.910 -9.566 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.551 -8.924 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.138 -6.318 2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.862 -8.245 1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.324 -4.154 3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.045 -6.082 2.183 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.777 -4.037 2.777 1.00 0.00 H new ATOM 1020 N THR A 65 -4.725 -11.084 0.942 1.00 0.00 N ATOM 1021 CA THR A 65 -3.787 -12.201 0.977 1.00 0.00 C ATOM 1022 C THR A 65 -2.790 -12.065 -0.165 1.00 0.00 C ATOM 1023 O THR A 65 -1.591 -12.278 0.010 1.00 0.00 O ATOM 1024 CB THR A 65 -4.520 -13.538 0.837 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.612 -13.583 1.743 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.547 -14.681 1.141 1.00 0.00 C ATOM 0 H THR A 65 -5.708 -11.349 0.888 1.00 0.00 H new ATOM 0 HA THR A 65 -3.270 -12.181 1.936 1.00 0.00 H new ATOM 0 HB THR A 65 -4.898 -13.642 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.382 -13.122 1.350 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.065 -15.635 1.043 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.714 -14.646 0.439 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.169 -14.576 2.158 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.307 -11.716 -1.333 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.481 -11.556 -2.519 1.00 0.00 C ATOM 1036 C LEU A 66 -1.460 -10.446 -2.330 1.00 0.00 C ATOM 1037 O LEU A 66 -0.289 -10.608 -2.668 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.387 -11.217 -3.698 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.582 -11.009 -4.986 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.863 -12.307 -5.380 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.556 -10.604 -6.095 1.00 0.00 C ATOM 0 H LEU A 66 -4.300 -11.537 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.941 -12.485 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.109 -12.020 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.955 -10.314 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.832 -10.233 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.295 -12.145 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.184 -12.604 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.598 -13.095 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.006 -10.450 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.294 -11.393 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.062 -9.680 -5.815 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.906 -9.312 -1.807 1.00 0.00 N ATOM 1054 CA ALA A 67 -1.002 -8.200 -1.608 1.00 0.00 C ATOM 1055 C ALA A 67 0.083 -8.583 -0.624 1.00 0.00 C ATOM 1056 O ALA A 67 1.253 -8.239 -0.800 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.768 -6.988 -1.085 1.00 0.00 C ATOM 0 H ALA A 67 -2.870 -9.144 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.544 -7.946 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.078 -6.157 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.533 -6.702 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.241 -7.238 -0.135 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.313 -9.307 0.413 1.00 0.00 N ATOM 1064 CA PHE A 68 0.634 -9.734 1.425 1.00 0.00 C ATOM 1065 C PHE A 68 1.443 -10.936 0.943 1.00 0.00 C ATOM 1066 O PHE A 68 2.671 -10.916 0.988 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.106 -10.068 2.730 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.725 -8.809 3.324 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.083 -7.712 3.659 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.112 -8.740 3.549 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.486 -6.558 4.210 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.679 -7.582 4.102 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.868 -6.493 4.431 1.00 0.00 C ATOM 0 H PHE A 68 -1.275 -9.607 0.573 1.00 0.00 H new ATOM 0 HA PHE A 68 1.330 -8.917 1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.883 -10.807 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.586 -10.513 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.149 -7.758 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.742 -9.580 3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.141 -5.717 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.744 -7.532 4.274 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.306 -5.602 4.855 1.00 0.00 H new ATOM 1083 N SER A 69 0.760 -11.977 0.479 1.00 0.00 N ATOM 1084 CA SER A 69 1.455 -13.168 -0.001 1.00 0.00 C ATOM 1085 C SER A 69 2.384 -12.826 -1.161 1.00 0.00 C ATOM 1086 O SER A 69 3.408 -13.483 -1.363 1.00 0.00 O ATOM 1087 CB SER A 69 0.448 -14.225 -0.457 1.00 0.00 C ATOM 1088 OG SER A 69 -0.249 -13.750 -1.601 1.00 0.00 O ATOM 0 H SER A 69 -0.258 -12.022 0.425 1.00 0.00 H new ATOM 0 HA SER A 69 2.048 -13.562 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.963 -15.156 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.255 -14.444 0.346 1.00 0.00 H new ATOM 0 HG SER A 69 -0.664 -12.886 -1.396 1.00 0.00 H new ATOM 1094 N THR A 70 2.051 -11.771 -1.902 1.00 0.00 N ATOM 1095 CA THR A 70 2.897 -11.350 -3.008 1.00 0.00 C ATOM 1096 C THR A 70 4.098 -10.569 -2.487 1.00 0.00 C ATOM 1097 O THR A 70 5.229 -10.787 -2.920 1.00 0.00 O ATOM 1098 CB THR A 70 2.114 -10.491 -4.004 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.073 -11.264 -4.586 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.063 -10.003 -5.101 1.00 0.00 C ATOM 0 H THR A 70 1.216 -11.203 -1.758 1.00 0.00 H new ATOM 0 HA THR A 70 3.245 -12.245 -3.523 1.00 0.00 H new ATOM 0 HB THR A 70 1.680 -9.636 -3.487 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.268 -11.199 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.511 -9.390 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.861 -9.410 -4.654 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.494 -10.861 -5.617 1.00 0.00 H new ATOM 1108 N ALA A 71 3.842 -9.652 -1.560 1.00 0.00 N ATOM 1109 CA ALA A 71 4.912 -8.842 -0.992 1.00 0.00 C ATOM 1110 C ALA A 71 5.889 -9.704 -0.202 1.00 0.00 C ATOM 1111 O ALA A 71 7.090 -9.433 -0.182 1.00 0.00 O ATOM 1112 CB ALA A 71 4.336 -7.759 -0.078 1.00 0.00 C ATOM 0 H ALA A 71 2.913 -9.453 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 71 5.446 -8.372 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.149 -7.163 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.671 -7.114 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.777 -8.227 0.733 1.00 0.00 H new ATOM 1118 N GLU A 72 5.375 -10.741 0.453 1.00 0.00 N ATOM 1119 CA GLU A 72 6.229 -11.621 1.235 1.00 0.00 C ATOM 1120 C GLU A 72 7.102 -12.480 0.325 1.00 0.00 C ATOM 1121 O GLU A 72 8.315 -12.544 0.488 1.00 0.00 O ATOM 1122 CB GLU A 72 5.378 -12.526 2.136 1.00 0.00 C ATOM 1123 CG GLU A 72 4.728 -11.687 3.242 1.00 0.00 C ATOM 1124 CD GLU A 72 3.792 -12.556 4.077 1.00 0.00 C ATOM 1125 OE1 GLU A 72 3.690 -13.737 3.787 1.00 0.00 O ATOM 1126 OE2 GLU A 72 3.188 -12.027 4.997 1.00 0.00 O ATOM 0 H GLU A 72 4.385 -10.988 0.457 1.00 0.00 H new ATOM 0 HA GLU A 72 6.875 -11.000 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.610 -13.025 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.999 -13.306 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.498 -11.252 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.172 -10.859 2.802 1.00 0.00 H new ATOM 1133 N LYS A 73 6.488 -13.157 -0.630 1.00 0.00 N ATOM 1134 CA LYS A 73 7.259 -14.012 -1.514 1.00 0.00 C ATOM 1135 C LYS A 73 8.310 -13.204 -2.280 1.00 0.00 C ATOM 1136 O LYS A 73 9.434 -13.666 -2.483 1.00 0.00 O ATOM 1137 CB LYS A 73 6.327 -14.720 -2.513 1.00 0.00 C ATOM 1138 CG LYS A 73 5.451 -15.767 -1.789 1.00 0.00 C ATOM 1139 CD LYS A 73 4.498 -16.444 -2.791 1.00 0.00 C ATOM 1140 CE LYS A 73 3.648 -17.491 -2.064 1.00 0.00 C ATOM 1141 NZ LYS A 73 3.034 -16.874 -0.853 1.00 0.00 N ATOM 0 H LYS A 73 5.484 -13.134 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 73 7.769 -14.756 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.692 -13.986 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.918 -15.206 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.084 -16.517 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.877 -15.287 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.854 -15.698 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.070 -16.916 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.870 -17.869 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.265 -18.343 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.109 -17.313 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.656 -17.025 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.909 -15.853 -1.009 1.00 0.00 H new ATOM 1155 N LEU A 74 7.931 -12.007 -2.718 1.00 0.00 N ATOM 1156 CA LEU A 74 8.831 -11.152 -3.482 1.00 0.00 C ATOM 1157 C LEU A 74 9.765 -10.324 -2.599 1.00 0.00 C ATOM 1158 O LEU A 74 10.906 -10.075 -2.985 1.00 0.00 O ATOM 1159 CB LEU A 74 8.005 -10.212 -4.371 1.00 0.00 C ATOM 1160 CG LEU A 74 7.223 -11.018 -5.426 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.317 -10.070 -6.220 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.196 -11.720 -6.395 1.00 0.00 C ATOM 0 H LEU A 74 7.006 -11.608 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 74 9.460 -11.807 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.312 -9.636 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.663 -9.497 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 74 6.621 -11.772 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.762 -10.638 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.617 -9.582 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.927 -9.315 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.629 -12.285 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.808 -10.973 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.840 -12.398 -5.836 1.00 0.00 H new ATOM 1174 N ALA A 75 9.285 -9.854 -1.439 1.00 0.00 N ATOM 1175 CA ALA A 75 10.120 -9.009 -0.571 1.00 0.00 C ATOM 1176 C ALA A 75 10.178 -9.507 0.871 1.00 0.00 C ATOM 1177 O ALA A 75 10.818 -8.876 1.711 1.00 0.00 O ATOM 1178 CB ALA A 75 9.574 -7.580 -0.589 1.00 0.00 C ATOM 0 H ALA A 75 8.346 -10.038 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 75 11.136 -9.047 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.188 -6.948 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.597 -7.194 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.547 -7.578 -0.224 1.00 0.00 H new ATOM 1184 N ASP A 76 9.535 -10.631 1.169 1.00 0.00 N ATOM 1185 CA ASP A 76 9.573 -11.148 2.533 1.00 0.00 C ATOM 1186 C ASP A 76 9.266 -10.029 3.524 1.00 0.00 C ATOM 1187 O ASP A 76 9.868 -9.946 4.594 1.00 0.00 O ATOM 1188 CB ASP A 76 10.955 -11.733 2.810 1.00 0.00 C ATOM 1189 CG ASP A 76 11.114 -13.069 2.090 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.129 -13.564 1.566 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.220 -13.582 2.077 1.00 0.00 O ATOM 0 H ASP A 76 8.996 -11.188 0.506 1.00 0.00 H new ATOM 0 HA ASP A 76 8.821 -11.929 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.726 -11.038 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.092 -11.871 3.883 1.00 0.00 H new ATOM 1196 N CYS A 77 8.338 -9.164 3.129 1.00 0.00 N ATOM 1197 CA CYS A 77 7.936 -8.017 3.940 1.00 0.00 C ATOM 1198 C CYS A 77 7.665 -8.393 5.401 1.00 0.00 C ATOM 1199 O CYS A 77 7.971 -9.497 5.850 1.00 0.00 O ATOM 1200 CB CYS A 77 6.679 -7.388 3.333 1.00 0.00 C ATOM 1201 SG CYS A 77 5.268 -8.498 3.569 1.00 0.00 S ATOM 0 H CYS A 77 7.843 -9.237 2.240 1.00 0.00 H new ATOM 0 HA CYS A 77 8.764 -7.308 3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.479 -6.425 3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.832 -7.199 2.270 1.00 0.00 H new ATOM 0 HG CYS A 77 4.952 -8.537 4.830 1.00 0.00 H new ATOM 1207 N ALA A 78 7.074 -7.445 6.125 1.00 0.00 N ATOM 1208 CA ALA A 78 6.737 -7.637 7.533 1.00 0.00 C ATOM 1209 C ALA A 78 5.384 -8.335 7.665 1.00 0.00 C ATOM 1210 O ALA A 78 4.669 -8.508 6.679 1.00 0.00 O ATOM 1211 CB ALA A 78 6.689 -6.278 8.244 1.00 0.00 C ATOM 0 H ALA A 78 6.817 -6.530 5.756 1.00 0.00 H new ATOM 0 HA ALA A 78 7.502 -8.262 7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.437 -6.426 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.662 -5.793 8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.933 -5.648 7.775 1.00 0.00 H new ATOM 1217 N GLN A 79 5.037 -8.733 8.889 1.00 0.00 N ATOM 1218 CA GLN A 79 3.764 -9.414 9.151 1.00 0.00 C ATOM 1219 C GLN A 79 2.983 -8.654 10.213 1.00 0.00 C ATOM 1220 O GLN A 79 2.640 -9.206 11.258 1.00 0.00 O ATOM 1221 CB GLN A 79 4.041 -10.834 9.645 1.00 0.00 C ATOM 1222 CG GLN A 79 4.622 -11.659 8.499 1.00 0.00 C ATOM 1223 CD GLN A 79 5.034 -13.039 9.001 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.745 -13.397 10.144 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.704 -13.837 8.215 1.00 0.00 N ATOM 0 H GLN A 79 5.618 -8.597 9.716 1.00 0.00 H new ATOM 0 HA GLN A 79 3.180 -9.452 8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.738 -10.811 10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.121 -11.292 10.009 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.885 -11.759 7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.484 -11.146 8.073 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.942 -13.539 7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.989 -14.758 8.547 1.00 0.00 H new ATOM 1234 N LEU A 80 2.730 -7.374 9.950 1.00 0.00 N ATOM 1235 CA LEU A 80 2.015 -6.536 10.912 1.00 0.00 C ATOM 1236 C LEU A 80 0.501 -6.563 10.670 1.00 0.00 C ATOM 1237 O LEU A 80 -0.278 -6.310 11.590 1.00 0.00 O ATOM 1238 CB LEU A 80 2.492 -5.073 10.802 1.00 0.00 C ATOM 1239 CG LEU A 80 3.992 -5.002 10.508 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.415 -3.537 10.493 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.784 -5.738 11.583 1.00 0.00 C ATOM 0 H LEU A 80 3.005 -6.898 9.091 1.00 0.00 H new ATOM 0 HA LEU A 80 2.227 -6.936 11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.939 -4.566 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.275 -4.546 11.731 1.00 0.00 H new ATOM 0 HG LEU A 80 4.191 -5.471 9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.483 -3.469 10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.860 -3.006 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.205 -3.088 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.849 -5.677 11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.592 -5.280 12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.478 -6.784 11.608 1.00 0.00 H new ATOM 1253 N LEU A 81 0.081 -6.848 9.428 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.359 -6.869 9.087 1.00 0.00 C ATOM 1255 C LEU A 81 -1.816 -8.250 8.615 1.00 0.00 C ATOM 1256 O LEU A 81 -1.144 -8.905 7.821 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.668 -5.853 7.965 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.788 -4.613 8.114 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -0.992 -3.690 6.913 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.176 -3.867 9.384 1.00 0.00 C ATOM 0 H LEU A 81 0.704 -7.065 8.650 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.896 -6.607 9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.498 -6.313 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.719 -5.568 8.003 1.00 0.00 H new ATOM 0 HG LEU A 81 0.257 -4.919 8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.363 -2.806 7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.721 -4.218 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.038 -3.387 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.549 -2.982 9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.222 -3.566 9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.035 -4.519 10.246 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.991 -8.656 9.098 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.588 -9.938 8.724 1.00 0.00 C ATOM 1274 C GLU A 82 -4.808 -9.712 7.840 1.00 0.00 C ATOM 1275 O GLU A 82 -5.549 -8.746 8.018 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.989 -10.703 9.978 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.732 -11.055 10.772 1.00 0.00 C ATOM 1278 CD GLU A 82 -1.903 -12.085 10.010 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.468 -12.766 9.168 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.716 -12.180 10.278 1.00 0.00 O ATOM 0 H GLU A 82 -3.551 -8.111 9.753 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.855 -10.521 8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.662 -10.100 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.530 -11.610 9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.139 -10.157 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.008 -11.450 11.750 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.996 -10.605 6.876 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.101 -10.500 5.939 1.00 0.00 C ATOM 1289 C VAL A 83 -7.449 -10.473 6.657 1.00 0.00 C ATOM 1290 O VAL A 83 -8.275 -9.591 6.421 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.044 -11.730 5.020 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.295 -11.789 4.124 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.753 -11.684 4.174 1.00 0.00 C ATOM 0 H VAL A 83 -4.392 -11.413 6.725 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.009 -9.571 5.377 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.029 -12.635 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.239 -12.666 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.187 -11.853 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.346 -10.890 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.714 -12.557 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.747 -10.778 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.885 -11.684 4.834 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.669 -11.456 7.512 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.928 -11.558 8.234 1.00 0.00 C ATOM 1305 C ASP A 84 -9.221 -10.282 9.012 1.00 0.00 C ATOM 1306 O ASP A 84 -10.338 -9.769 8.979 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.863 -12.741 9.198 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.842 -14.048 8.414 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.159 -14.013 7.235 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.503 -15.063 8.999 1.00 0.00 O ATOM 0 H ASP A 84 -6.996 -12.193 7.724 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.730 -11.708 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.971 -12.666 9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.722 -12.723 9.869 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.218 -9.773 9.715 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.393 -8.561 10.498 1.00 0.00 C ATOM 1317 C ASP A 85 -8.743 -7.392 9.590 1.00 0.00 C ATOM 1318 O ASP A 85 -9.652 -6.618 9.877 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.105 -8.251 11.261 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.373 -7.225 12.355 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -8.505 -7.138 12.794 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -6.437 -6.545 12.741 1.00 0.00 O ATOM 0 H ASP A 85 -7.283 -10.178 9.758 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.208 -8.714 11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.705 -9.165 11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.349 -7.871 10.574 1.00 0.00 H new ATOM 1327 N MET A 86 -8.023 -7.279 8.488 1.00 0.00 N ATOM 1328 CA MET A 86 -8.273 -6.203 7.544 1.00 0.00 C ATOM 1329 C MET A 86 -9.689 -6.311 7.008 1.00 0.00 C ATOM 1330 O MET A 86 -10.401 -5.314 6.882 1.00 0.00 O ATOM 1331 CB MET A 86 -7.285 -6.322 6.372 1.00 0.00 C ATOM 1332 CG MET A 86 -5.882 -5.829 6.783 1.00 0.00 C ATOM 1333 SD MET A 86 -5.144 -4.902 5.418 1.00 0.00 S ATOM 1334 CE MET A 86 -5.893 -3.304 5.812 1.00 0.00 C ATOM 0 H MET A 86 -7.267 -7.912 8.226 1.00 0.00 H new ATOM 0 HA MET A 86 -8.145 -5.244 8.046 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.228 -7.360 6.043 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.647 -5.738 5.525 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.952 -5.198 7.669 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.249 -6.677 7.045 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.053 -2.741 4.893 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.849 -3.463 6.311 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.229 -2.743 6.470 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.081 -7.535 6.709 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.409 -7.805 6.194 1.00 0.00 C ATOM 1346 C VAL A 87 -12.477 -7.517 7.244 1.00 0.00 C ATOM 1347 O VAL A 87 -13.496 -6.889 6.950 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.486 -9.272 5.761 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.933 -9.646 5.418 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.588 -9.482 4.535 1.00 0.00 C ATOM 0 H VAL A 87 -9.494 -8.362 6.815 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.594 -7.152 5.341 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.146 -9.909 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.976 -10.691 5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.564 -9.499 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.289 -9.014 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.638 -10.525 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.928 -8.842 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.559 -9.229 4.790 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.241 -7.976 8.468 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.186 -7.768 9.554 1.00 0.00 C ATOM 1362 C ARG A 88 -13.262 -6.306 9.968 1.00 0.00 C ATOM 1363 O ARG A 88 -14.348 -5.747 10.115 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.752 -8.614 10.756 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.019 -10.090 10.459 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.553 -10.949 11.634 1.00 0.00 C ATOM 1367 NE ARG A 88 -12.826 -12.355 11.361 1.00 0.00 N ATOM 1368 CZ ARG A 88 -12.603 -13.291 12.279 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -12.971 -13.095 13.515 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -12.017 -14.406 11.941 1.00 0.00 N ATOM 0 H ARG A 88 -11.403 -8.494 8.731 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.175 -8.066 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.693 -8.458 10.961 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.298 -8.306 11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.083 -10.248 10.281 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.496 -10.387 9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.486 -10.803 11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.064 -10.641 12.546 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.195 -12.626 10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.430 -12.223 13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.799 -13.814 14.218 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.731 -14.559 10.974 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.845 -15.125 12.644 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.104 -5.693 10.163 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.064 -4.300 10.574 1.00 0.00 C ATOM 1386 C LEU A 89 -12.693 -3.412 9.508 1.00 0.00 C ATOM 1387 O LEU A 89 -13.572 -2.597 9.796 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.603 -3.873 10.790 1.00 0.00 C ATOM 1389 CG LEU A 89 -9.994 -4.615 11.994 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.470 -4.426 11.991 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.569 -4.066 13.312 1.00 0.00 C ATOM 0 H LEU A 89 -11.191 -6.132 10.045 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.626 -4.192 11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.020 -4.084 9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.554 -2.797 10.956 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.240 -5.674 11.914 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.037 -4.950 12.843 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.055 -4.829 11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.235 -3.364 12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.128 -4.602 14.153 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.337 -3.004 13.396 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.650 -4.203 13.322 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.196 -3.547 8.284 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.673 -2.717 7.188 1.00 0.00 C ATOM 1405 C ALA A 90 -12.369 -1.268 7.549 1.00 0.00 C ATOM 1406 O ALA A 90 -13.013 -0.331 7.073 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.178 -2.916 6.969 1.00 0.00 C ATOM 0 H ALA A 90 -11.470 -4.217 8.028 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.175 -2.992 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.512 -2.286 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.376 -3.961 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.717 -2.643 7.876 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.356 -1.128 8.405 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.892 0.168 8.891 1.00 0.00 C ATOM 1415 C VAL A 91 -9.484 0.019 9.487 1.00 0.00 C ATOM 1416 O VAL A 91 -9.348 -0.249 10.680 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.843 0.696 9.985 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.231 1.935 10.659 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.198 1.072 9.364 1.00 0.00 C ATOM 0 H VAL A 91 -10.832 -1.918 8.782 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.873 0.869 8.057 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.990 -0.086 10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.909 2.302 11.430 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.276 1.668 11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.074 2.714 9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.864 1.444 10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.051 1.847 8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.641 0.192 8.897 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.440 0.181 8.706 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.046 0.061 9.218 1.00 0.00 C ATOM 1431 C PRO A 92 -6.663 1.265 10.075 1.00 0.00 C ATOM 1432 O PRO A 92 -7.485 2.142 10.334 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.163 -0.042 7.954 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.097 0.008 6.773 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.461 0.495 7.274 1.00 0.00 C ATOM 0 HA PRO A 92 -6.923 -0.806 9.867 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.445 0.777 7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.590 -0.969 7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.709 0.680 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.188 -0.977 6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.593 1.563 7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.279 -0.014 6.765 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.404 1.299 10.496 1.00 0.00 N ATOM 1444 CA ASP A 93 -4.901 2.401 11.314 1.00 0.00 C ATOM 1445 C ASP A 93 -3.760 3.116 10.596 1.00 0.00 C ATOM 1446 O ASP A 93 -2.839 2.487 10.079 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.433 1.864 12.667 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.476 0.900 13.225 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.636 1.277 13.278 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.101 -0.204 13.583 1.00 0.00 O ATOM 0 H ASP A 93 -4.713 0.579 10.286 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.703 3.121 11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.476 1.355 12.556 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.277 2.689 13.362 1.00 0.00 H new ATOM 1455 N SER A 94 -3.851 4.436 10.549 1.00 0.00 N ATOM 1456 CA SER A 94 -2.844 5.247 9.872 1.00 0.00 C ATOM 1457 C SER A 94 -1.442 4.836 10.296 1.00 0.00 C ATOM 1458 O SER A 94 -0.499 4.897 9.506 1.00 0.00 O ATOM 1459 CB SER A 94 -3.059 6.721 10.206 1.00 0.00 C ATOM 1460 OG SER A 94 -2.965 6.902 11.614 1.00 0.00 O ATOM 0 H SER A 94 -4.610 4.971 10.971 1.00 0.00 H new ATOM 0 HA SER A 94 -2.945 5.091 8.798 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.314 7.333 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.036 7.048 9.850 1.00 0.00 H new ATOM 0 HG SER A 94 -3.101 7.848 11.832 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.315 4.402 11.538 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.027 3.971 12.049 1.00 0.00 C ATOM 1468 C LYS A 95 0.316 2.585 11.521 1.00 0.00 C ATOM 1469 O LYS A 95 1.485 2.262 11.305 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.053 3.938 13.575 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.052 2.879 14.055 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.195 2.968 15.578 1.00 0.00 C ATOM 1473 CE LYS A 95 -2.188 1.911 16.072 1.00 0.00 C ATOM 1474 NZ LYS A 95 -2.381 2.065 17.541 1.00 0.00 N ATOM 0 H LYS A 95 -2.083 4.339 12.207 1.00 0.00 H new ATOM 0 HA LYS A 95 0.731 4.679 11.714 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.942 3.714 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.332 4.917 13.964 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.020 3.034 13.578 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.710 1.884 13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.225 2.818 16.052 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.538 3.963 15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.141 2.021 15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.816 0.912 15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.055 1.349 17.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.470 1.940 18.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.754 3.014 17.745 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.711 1.767 11.321 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.502 0.411 10.825 1.00 0.00 C ATOM 1490 C CYS A 96 0.004 0.441 9.388 1.00 0.00 C ATOM 1491 O CYS A 96 1.021 -0.172 9.061 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.816 -0.380 10.892 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.001 -1.115 12.535 1.00 0.00 S ATOM 0 H CYS A 96 -1.686 2.014 11.492 1.00 0.00 H new ATOM 0 HA CYS A 96 0.246 -0.075 11.452 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.659 0.278 10.680 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.821 -1.160 10.131 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.161 -0.794 13.026 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.719 1.162 8.538 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.345 1.278 7.140 1.00 0.00 C ATOM 1501 C VAL A 97 0.995 1.971 7.046 1.00 0.00 C ATOM 1502 O VAL A 97 1.873 1.563 6.289 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.386 2.104 6.382 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.955 2.271 4.924 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.746 1.402 6.445 1.00 0.00 C ATOM 0 H VAL A 97 -1.564 1.672 8.795 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.289 0.282 6.701 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.468 3.088 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.700 2.860 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.007 2.782 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.864 1.290 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.486 1.992 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.667 0.415 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.054 1.299 7.485 1.00 0.00 H new ATOM 1515 N TYR A 98 1.144 3.027 7.828 1.00 0.00 N ATOM 1516 CA TYR A 98 2.378 3.781 7.836 1.00 0.00 C ATOM 1517 C TYR A 98 3.534 2.883 8.232 1.00 0.00 C ATOM 1518 O TYR A 98 4.552 2.826 7.545 1.00 0.00 O ATOM 1519 CB TYR A 98 2.258 4.931 8.842 1.00 0.00 C ATOM 1520 CG TYR A 98 3.592 5.622 8.991 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.580 5.060 9.808 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.842 6.816 8.310 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.821 5.692 9.941 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.084 7.449 8.447 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.072 6.886 9.260 1.00 0.00 C ATOM 1526 OH TYR A 98 7.298 7.508 9.386 1.00 0.00 O ATOM 0 H TYR A 98 0.426 3.378 8.462 1.00 0.00 H new ATOM 0 HA TYR A 98 2.563 4.178 6.838 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.505 5.643 8.506 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.926 4.549 9.807 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.384 4.138 10.336 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.080 7.250 7.680 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.584 5.257 10.569 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.279 8.373 7.924 1.00 0.00 H new ATOM 0 HH TYR A 98 7.307 8.326 8.846 1.00 0.00 H new ATOM 1536 N THR A 99 3.370 2.184 9.346 1.00 0.00 N ATOM 1537 CA THR A 99 4.416 1.300 9.826 1.00 0.00 C ATOM 1538 C THR A 99 4.732 0.253 8.768 1.00 0.00 C ATOM 1539 O THR A 99 5.896 -0.029 8.494 1.00 0.00 O ATOM 1540 CB THR A 99 3.973 0.610 11.118 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.716 1.592 12.114 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.083 -0.328 11.603 1.00 0.00 C ATOM 0 H THR A 99 2.532 2.212 9.927 1.00 0.00 H new ATOM 0 HA THR A 99 5.310 1.890 10.028 1.00 0.00 H new ATOM 0 HB THR A 99 3.067 0.034 10.930 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.965 2.155 11.832 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.768 -0.820 12.523 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.283 -1.080 10.840 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.989 0.248 11.791 1.00 0.00 H new ATOM 1550 N TYR A 100 3.694 -0.317 8.169 1.00 0.00 N ATOM 1551 CA TYR A 100 3.875 -1.325 7.136 1.00 0.00 C ATOM 1552 C TYR A 100 4.640 -0.732 5.959 1.00 0.00 C ATOM 1553 O TYR A 100 5.631 -1.293 5.488 1.00 0.00 O ATOM 1554 CB TYR A 100 2.501 -1.763 6.644 1.00 0.00 C ATOM 1555 CG TYR A 100 2.656 -2.949 5.731 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.908 -2.754 4.370 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.541 -4.242 6.247 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.045 -3.858 3.520 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.680 -5.347 5.400 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.932 -5.156 4.035 1.00 0.00 C ATOM 1561 OH TYR A 100 3.068 -6.246 3.200 1.00 0.00 O ATOM 0 H TYR A 100 2.721 -0.098 8.381 1.00 0.00 H new ATOM 0 HA TYR A 100 4.431 -2.168 7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.864 -2.021 7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.013 -0.944 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.997 -1.753 3.975 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.345 -4.389 7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.238 -3.709 2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.593 -6.347 5.798 1.00 0.00 H new ATOM 0 HH TYR A 100 3.813 -6.803 3.508 1.00 0.00 H new ATOM 1571 N ILE A 101 4.158 0.418 5.500 1.00 0.00 N ATOM 1572 CA ILE A 101 4.771 1.121 4.382 1.00 0.00 C ATOM 1573 C ILE A 101 6.206 1.479 4.751 1.00 0.00 C ATOM 1574 O ILE A 101 7.115 1.395 3.925 1.00 0.00 O ATOM 1575 CB ILE A 101 3.967 2.398 4.065 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.568 2.029 3.511 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.722 3.259 3.046 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.620 1.715 2.008 1.00 0.00 C ATOM 0 H ILE A 101 3.339 0.885 5.889 1.00 0.00 H new ATOM 0 HA ILE A 101 4.772 0.483 3.498 1.00 0.00 H new ATOM 0 HB ILE A 101 3.842 2.967 4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.179 1.166 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.877 2.853 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.144 4.158 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.692 3.541 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.867 2.692 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.621 1.461 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.985 2.588 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.291 0.874 1.835 1.00 0.00 H new ATOM 1590 N GLN A 102 6.387 1.884 6.004 1.00 0.00 N ATOM 1591 CA GLN A 102 7.704 2.264 6.503 1.00 0.00 C ATOM 1592 C GLN A 102 8.721 1.166 6.228 1.00 0.00 C ATOM 1593 O GLN A 102 9.731 1.387 5.561 1.00 0.00 O ATOM 1594 CB GLN A 102 7.635 2.491 8.012 1.00 0.00 C ATOM 1595 CG GLN A 102 8.884 3.243 8.472 1.00 0.00 C ATOM 1596 CD GLN A 102 8.818 3.499 9.973 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.687 2.562 10.761 1.00 0.00 O ATOM 1598 NE2 GLN A 102 8.911 4.722 10.421 1.00 0.00 N ATOM 0 H GLN A 102 5.638 1.958 6.693 1.00 0.00 H new ATOM 0 HA GLN A 102 8.011 3.177 5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.741 3.061 8.264 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.561 1.535 8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.776 2.663 8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.966 4.189 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.020 5.498 9.768 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.875 4.902 11.424 1.00 0.00 H new ATOM 1607 N GLU A 103 8.454 -0.015 6.769 1.00 0.00 N ATOM 1608 CA GLU A 103 9.364 -1.130 6.589 1.00 0.00 C ATOM 1609 C GLU A 103 9.509 -1.437 5.106 1.00 0.00 C ATOM 1610 O GLU A 103 10.615 -1.638 4.603 1.00 0.00 O ATOM 1611 CB GLU A 103 8.834 -2.357 7.336 1.00 0.00 C ATOM 1612 CG GLU A 103 9.860 -3.492 7.264 1.00 0.00 C ATOM 1613 CD GLU A 103 11.093 -3.128 8.082 1.00 0.00 C ATOM 1614 OE1 GLU A 103 10.986 -2.257 8.930 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.131 -3.726 7.849 1.00 0.00 O ATOM 0 H GLU A 103 7.626 -0.221 7.328 1.00 0.00 H new ATOM 0 HA GLU A 103 10.342 -0.869 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.633 -2.102 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.889 -2.680 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.421 -4.415 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.142 -3.674 6.227 1.00 0.00 H new ATOM 1622 N LEU A 104 8.381 -1.480 4.416 1.00 0.00 N ATOM 1623 CA LEU A 104 8.367 -1.770 2.992 1.00 0.00 C ATOM 1624 C LEU A 104 9.152 -0.723 2.221 1.00 0.00 C ATOM 1625 O LEU A 104 9.931 -1.048 1.328 1.00 0.00 O ATOM 1626 CB LEU A 104 6.919 -1.739 2.524 1.00 0.00 C ATOM 1627 CG LEU A 104 6.798 -2.130 1.041 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.146 -3.614 0.850 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.359 -1.879 0.576 1.00 0.00 C ATOM 0 H LEU A 104 7.459 -1.317 4.821 1.00 0.00 H new ATOM 0 HA LEU A 104 8.822 -2.744 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.324 -2.422 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.509 -0.740 2.673 1.00 0.00 H new ATOM 0 HG LEU A 104 7.492 -1.529 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.056 -3.876 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.168 -3.794 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.461 -4.227 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.263 -2.153 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.674 -2.481 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.116 -0.824 0.699 1.00 0.00 H new ATOM 1641 N TYR A 105 8.934 0.534 2.573 1.00 0.00 N ATOM 1642 CA TYR A 105 9.611 1.636 1.908 1.00 0.00 C ATOM 1643 C TYR A 105 11.106 1.419 1.954 1.00 0.00 C ATOM 1644 O TYR A 105 11.812 1.565 0.953 1.00 0.00 O ATOM 1645 CB TYR A 105 9.276 2.932 2.645 1.00 0.00 C ATOM 1646 CG TYR A 105 10.007 4.091 2.016 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.484 4.707 0.876 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.205 4.553 2.576 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.156 5.784 0.292 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.878 5.632 1.992 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.353 6.248 0.850 1.00 0.00 C ATOM 1652 OH TYR A 105 12.014 7.310 0.274 1.00 0.00 O ATOM 0 H TYR A 105 8.294 0.817 3.315 1.00 0.00 H new ATOM 0 HA TYR A 105 9.285 1.693 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.201 3.110 2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.554 2.844 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.560 4.350 0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.609 4.077 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.752 6.258 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.802 5.989 2.422 1.00 0.00 H new ATOM 0 HH TYR A 105 12.827 7.506 0.786 1.00 0.00 H new ATOM 1662 N ARG A 106 11.578 1.101 3.137 1.00 0.00 N ATOM 1663 CA ARG A 106 12.995 0.893 3.350 1.00 0.00 C ATOM 1664 C ARG A 106 13.515 -0.249 2.488 1.00 0.00 C ATOM 1665 O ARG A 106 14.574 -0.126 1.876 1.00 0.00 O ATOM 1666 CB ARG A 106 13.225 0.614 4.830 1.00 0.00 C ATOM 1667 CG ARG A 106 12.991 1.912 5.605 1.00 0.00 C ATOM 1668 CD ARG A 106 13.156 1.670 7.101 1.00 0.00 C ATOM 1669 NE ARG A 106 14.575 1.568 7.439 1.00 0.00 N ATOM 1670 CZ ARG A 106 15.076 0.465 7.982 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.782 0.164 9.216 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.845 -0.316 7.279 1.00 0.00 N ATOM 0 H ARG A 106 11.001 0.980 3.970 1.00 0.00 H new ATOM 0 HA ARG A 106 13.545 1.787 3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.547 -0.165 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.239 0.251 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.696 2.674 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.990 2.292 5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.698 2.485 7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.639 0.755 7.389 1.00 0.00 H new ATOM 0 HE ARG A 106 15.192 2.359 7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.170 0.774 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.163 -0.682 9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.063 -0.080 6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 106 16.230 -1.163 7.697 1.00 0.00 H new ATOM 1686 N SER A 107 12.766 -1.340 2.409 1.00 0.00 N ATOM 1687 CA SER A 107 13.192 -2.462 1.583 1.00 0.00 C ATOM 1688 C SER A 107 13.379 -2.001 0.136 1.00 0.00 C ATOM 1689 O SER A 107 14.336 -2.397 -0.530 1.00 0.00 O ATOM 1690 CB SER A 107 12.159 -3.590 1.636 1.00 0.00 C ATOM 1691 OG SER A 107 12.057 -4.075 2.968 1.00 0.00 O ATOM 0 H SER A 107 11.879 -1.472 2.895 1.00 0.00 H new ATOM 0 HA SER A 107 14.140 -2.837 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.190 -3.227 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.451 -4.397 0.965 1.00 0.00 H new ATOM 0 HG SER A 107 11.632 -3.396 3.532 1.00 0.00 H new ATOM 1697 N LEU A 108 12.461 -1.160 -0.343 1.00 0.00 N ATOM 1698 CA LEU A 108 12.529 -0.654 -1.709 1.00 0.00 C ATOM 1699 C LEU A 108 13.797 0.164 -1.925 1.00 0.00 C ATOM 1700 O LEU A 108 14.429 0.080 -2.977 1.00 0.00 O ATOM 1701 CB LEU A 108 11.337 0.263 -2.003 1.00 0.00 C ATOM 1702 CG LEU A 108 10.013 -0.510 -1.925 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.847 0.475 -2.075 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.940 -1.562 -3.040 1.00 0.00 C ATOM 0 H LEU A 108 11.665 -0.817 0.195 1.00 0.00 H new ATOM 0 HA LEU A 108 12.521 -1.520 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.323 1.087 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.448 0.702 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 108 9.953 -1.017 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.903 -0.067 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.888 1.213 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.920 0.981 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.995 -2.101 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.006 -1.069 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.767 -2.264 -2.933 1.00 0.00 H new ATOM 1716 N VAL A 109 14.147 0.979 -0.935 1.00 0.00 N ATOM 1717 CA VAL A 109 15.319 1.828 -1.049 1.00 0.00 C ATOM 1718 C VAL A 109 16.579 0.990 -1.200 1.00 0.00 C ATOM 1719 O VAL A 109 17.409 1.256 -2.071 1.00 0.00 O ATOM 1720 CB VAL A 109 15.420 2.729 0.187 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.748 3.487 0.172 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.264 3.730 0.170 1.00 0.00 C ATOM 0 H VAL A 109 13.639 1.067 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 109 15.220 2.449 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 109 15.369 2.117 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.813 4.125 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.573 2.775 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.806 4.102 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.328 4.375 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.322 4.338 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.316 3.192 0.185 1.00 0.00 H new ATOM 1732 N GLN A 110 16.716 -0.031 -0.365 1.00 0.00 N ATOM 1733 CA GLN A 110 17.884 -0.890 -0.446 1.00 0.00 C ATOM 1734 C GLN A 110 17.922 -1.562 -1.807 1.00 0.00 C ATOM 1735 O GLN A 110 18.954 -1.578 -2.480 1.00 0.00 O ATOM 1736 CB GLN A 110 17.842 -1.967 0.658 1.00 0.00 C ATOM 1737 CG GLN A 110 17.220 -1.397 1.956 1.00 0.00 C ATOM 1738 CD GLN A 110 17.979 -1.892 3.189 1.00 0.00 C ATOM 1739 OE1 GLN A 110 19.117 -1.485 3.423 1.00 0.00 O ATOM 1740 NE2 GLN A 110 17.410 -2.746 3.996 1.00 0.00 N ATOM 0 H GLN A 110 16.046 -0.280 0.362 1.00 0.00 H new ATOM 0 HA GLN A 110 18.778 -0.282 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.260 -2.823 0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.851 -2.327 0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.239 -0.308 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.174 -1.695 2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.467 -3.082 3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.908 -3.077 4.822 1.00 0.00 H new ATOM 1749 N LYS A 111 16.784 -2.119 -2.198 1.00 0.00 N ATOM 1750 CA LYS A 111 16.680 -2.801 -3.482 1.00 0.00 C ATOM 1751 C LYS A 111 16.898 -1.814 -4.630 1.00 0.00 C ATOM 1752 O LYS A 111 17.120 -2.216 -5.772 1.00 0.00 O ATOM 1753 CB LYS A 111 15.301 -3.473 -3.627 1.00 0.00 C ATOM 1754 CG LYS A 111 15.188 -4.685 -2.685 1.00 0.00 C ATOM 1755 CD LYS A 111 13.820 -5.364 -2.865 1.00 0.00 C ATOM 1756 CE LYS A 111 13.746 -6.623 -1.992 1.00 0.00 C ATOM 1757 NZ LYS A 111 12.426 -7.292 -2.184 1.00 0.00 N ATOM 0 H LYS A 111 15.924 -2.113 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 111 17.452 -3.569 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.514 -2.754 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.152 -3.792 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.987 -5.396 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.311 -4.365 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.022 -4.673 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.669 -5.627 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.553 -7.307 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.881 -6.358 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.817 -7.101 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.972 -6.924 -3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.567 -8.318 -2.279 1.00 0.00 H new ATOM 1771 N GLY A 112 16.837 -0.518 -4.318 1.00 0.00 N ATOM 1772 CA GLY A 112 17.030 0.514 -5.333 1.00 0.00 C ATOM 1773 C GLY A 112 15.821 0.564 -6.250 1.00 0.00 C ATOM 1774 O GLY A 112 15.888 1.050 -7.380 1.00 0.00 O ATOM 0 H GLY A 112 16.657 -0.162 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.177 1.483 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.929 0.304 -5.912 1.00 0.00 H new ATOM 1778 N LEU A 113 14.715 0.058 -5.727 1.00 0.00 N ATOM 1779 CA LEU A 113 13.451 0.033 -6.448 1.00 0.00 C ATOM 1780 C LEU A 113 12.849 1.436 -6.546 1.00 0.00 C ATOM 1781 O LEU A 113 12.389 1.852 -7.608 1.00 0.00 O ATOM 1782 CB LEU A 113 12.487 -0.902 -5.703 1.00 0.00 C ATOM 1783 CG LEU A 113 12.739 -2.367 -6.097 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.017 -3.283 -5.102 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.212 -2.639 -7.522 1.00 0.00 C ATOM 0 H LEU A 113 14.668 -0.347 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 113 13.620 -0.327 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.615 -0.782 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.457 -0.630 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 113 13.811 -2.563 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.190 -4.324 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.399 -3.102 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.947 -3.075 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.398 -3.680 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.141 -2.441 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.725 -1.988 -8.230 1.00 0.00 H new ATOM 1797 N VAL A 114 12.842 2.148 -5.422 1.00 0.00 N ATOM 1798 CA VAL A 114 12.280 3.500 -5.381 1.00 0.00 C ATOM 1799 C VAL A 114 13.260 4.527 -5.951 1.00 0.00 C ATOM 1800 O VAL A 114 12.850 5.504 -6.577 1.00 0.00 O ATOM 1801 CB VAL A 114 11.859 3.844 -3.931 1.00 0.00 C ATOM 1802 CG1 VAL A 114 11.829 5.365 -3.711 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.454 3.268 -3.649 1.00 0.00 C ATOM 0 H VAL A 114 13.215 1.817 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 114 11.393 3.535 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 114 12.590 3.405 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.530 5.578 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.821 5.779 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.115 5.818 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.159 3.511 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.737 3.701 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.473 2.185 -3.773 1.00 0.00 H new ATOM 1813 N LYS A 115 14.547 4.301 -5.735 1.00 0.00 N ATOM 1814 CA LYS A 115 15.579 5.214 -6.237 1.00 0.00 C ATOM 1815 C LYS A 115 16.129 4.713 -7.569 1.00 0.00 C ATOM 1816 O LYS A 115 16.975 3.819 -7.606 1.00 0.00 O ATOM 1817 CB LYS A 115 16.717 5.328 -5.214 1.00 0.00 C ATOM 1818 CG LYS A 115 16.222 6.092 -3.976 1.00 0.00 C ATOM 1819 CD LYS A 115 17.355 6.209 -2.944 1.00 0.00 C ATOM 1820 CE LYS A 115 16.890 7.048 -1.745 1.00 0.00 C ATOM 1821 NZ LYS A 115 15.653 6.455 -1.166 1.00 0.00 N ATOM 0 H LYS A 115 14.907 3.499 -5.218 1.00 0.00 H new ATOM 0 HA LYS A 115 15.132 6.197 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.062 4.335 -4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.568 5.846 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.878 7.085 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.370 5.575 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.656 5.217 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.230 6.670 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.675 7.086 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.700 8.074 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.834 7.044 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.519 5.495 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.741 6.412 -0.131 1.00 0.00 H new ATOM 1835 N THR A 116 15.634 5.292 -8.666 1.00 0.00 N ATOM 1836 CA THR A 116 16.076 4.894 -10.009 1.00 0.00 C ATOM 1837 C THR A 116 16.809 6.035 -10.709 1.00 0.00 C ATOM 1838 O THR A 116 17.526 5.817 -11.684 1.00 0.00 O ATOM 1839 CB THR A 116 14.866 4.472 -10.852 1.00 0.00 C ATOM 1840 OG1 THR A 116 15.156 4.686 -12.225 1.00 0.00 O ATOM 1841 CG2 THR A 116 13.640 5.300 -10.455 1.00 0.00 C ATOM 0 H THR A 116 14.932 6.032 -8.654 1.00 0.00 H new ATOM 0 HA THR A 116 16.764 4.055 -9.903 1.00 0.00 H new ATOM 0 HB THR A 116 14.656 3.417 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 116 14.386 4.416 -12.768 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.784 4.995 -11.058 1.00 0.00 H new ATOM 0 HG22 THR A 116 13.417 5.138 -9.400 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.845 6.357 -10.624 1.00 0.00 H new ATOM 1849 N LYS A 117 16.617 7.245 -10.207 1.00 0.00 N ATOM 1850 CA LYS A 117 17.255 8.418 -10.790 1.00 0.00 C ATOM 1851 C LYS A 117 18.765 8.379 -10.598 1.00 0.00 C ATOM 1852 O LYS A 117 19.264 8.617 -9.500 1.00 0.00 O ATOM 1853 CB LYS A 117 16.697 9.681 -10.135 1.00 0.00 C ATOM 1854 CG LYS A 117 17.330 10.914 -10.780 1.00 0.00 C ATOM 1855 CD LYS A 117 16.678 12.177 -10.216 1.00 0.00 C ATOM 1856 CE LYS A 117 17.329 13.412 -10.841 1.00 0.00 C ATOM 1857 NZ LYS A 117 17.269 13.308 -12.325 1.00 0.00 N ATOM 0 H LYS A 117 16.026 7.442 -9.399 1.00 0.00 H new ATOM 0 HA LYS A 117 17.044 8.423 -11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 117 15.613 9.714 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 117 16.905 9.670 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.403 10.928 -10.587 1.00 0.00 H new ATOM 0 HG3 LYS A 117 17.202 10.878 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 117 15.608 12.171 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 117 16.790 12.203 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 117 16.816 14.314 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 117 18.365 13.495 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 17.132 14.254 -12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 18.158 12.902 -12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 16.475 12.694 -12.598 1.00 0.00 H new ATOM 1871 N LYS A 118 19.498 8.101 -11.678 1.00 0.00 N ATOM 1872 CA LYS A 118 20.961 8.054 -11.614 1.00 0.00 C ATOM 1873 C LYS A 118 21.556 9.009 -12.646 1.00 0.00 C ATOM 1874 O LYS A 118 21.341 8.854 -13.849 1.00 0.00 O ATOM 1875 CB LYS A 118 21.437 6.622 -11.875 1.00 0.00 C ATOM 1876 CG LYS A 118 22.961 6.525 -11.712 1.00 0.00 C ATOM 1877 CD LYS A 118 23.412 5.064 -11.921 1.00 0.00 C ATOM 1878 CE LYS A 118 23.369 4.304 -10.590 1.00 0.00 C ATOM 1879 NZ LYS A 118 24.416 4.845 -9.679 1.00 0.00 N ATOM 0 H LYS A 118 19.107 7.907 -12.600 1.00 0.00 H new ATOM 0 HA LYS A 118 21.293 8.363 -10.623 1.00 0.00 H new ATOM 0 HB2 LYS A 118 20.947 5.937 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 118 21.153 6.315 -12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 118 23.456 7.176 -12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 118 23.253 6.868 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 118 22.764 4.576 -12.649 1.00 0.00 H new ATOM 0 HD3 LYS A 118 24.423 5.042 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 118 22.385 4.405 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 118 23.534 3.240 -10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 24.747 4.091 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 25.216 5.200 -10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 24.017 5.623 -9.115 1.00 0.00 H new ATOM 1893 N LYS A 119 22.302 10.001 -12.169 1.00 0.00 N ATOM 1894 CA LYS A 119 22.921 10.977 -13.061 1.00 0.00 C ATOM 1895 C LYS A 119 21.912 11.473 -14.089 1.00 0.00 C ATOM 1896 O LYS A 119 22.330 12.100 -15.049 1.00 0.00 O ATOM 1897 CB LYS A 119 24.113 10.343 -13.786 1.00 0.00 C ATOM 1898 CG LYS A 119 25.087 9.736 -12.765 1.00 0.00 C ATOM 1899 CD LYS A 119 25.895 10.852 -12.096 1.00 0.00 C ATOM 1900 CE LYS A 119 26.975 10.244 -11.205 1.00 0.00 C ATOM 1901 NZ LYS A 119 26.335 9.512 -10.076 1.00 0.00 N ATOM 1902 OXT LYS A 119 20.734 11.220 -13.902 1.00 0.00 O ATOM 0 H LYS A 119 22.492 10.150 -11.178 1.00 0.00 H new ATOM 0 HA LYS A 119 23.265 11.821 -12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 119 23.763 9.571 -14.471 1.00 0.00 H new ATOM 0 HB3 LYS A 119 24.625 11.094 -14.387 1.00 0.00 H new ATOM 0 HG2 LYS A 119 24.536 9.172 -12.013 1.00 0.00 H new ATOM 0 HG3 LYS A 119 25.758 9.035 -13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 119 26.352 11.488 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 119 25.236 11.486 -11.503 1.00 0.00 H new ATOM 0 HE2 LYS A 119 27.600 9.565 -11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 119 27.628 11.028 -10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 27.052 9.288 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 25.594 10.106 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 25.912 8.630 -10.429 1.00 0.00 H new TER 1916 LYS A 119