USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 30:sc= -0.391 USER MOD Set 1.2: A 113 LYS NZ :NH3+ -163:sc= 0.763 (180deg=0.523) USER MOD Set 2.1: A 103 GLN : amide:sc= -0.244 K(o=-0.46,f=-1.3) USER MOD Set 2.2: A 107 GLN : amide:sc= -0.218 K(o=-0.46,f=-1.3!) USER MOD Set 3.1: A 102 TYR OH : rot 180:sc= -5.6! USER MOD Set 3.2: A 106 GLN : amide:sc= -2.76 X(o=-8.4,f=-8.3!) USER MOD Set 4.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 100 THR OG1 : rot 180:sc= -0.0396 USER MOD Set 5.1: A 27 THR OG1 : rot -170:sc= -4.68! USER MOD Set 5.2: A 88 ASN : amide:sc= -0.315 K(o=-5,f=-6.7!) USER MOD Set 6.1: A 40 GLN : amide:sc= -0.0571 K(o=-2.7,f=-4.9) USER MOD Set 6.2: A 72 CYS SG : rot 27:sc= -2.61! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.68) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0.893) USER MOD Single : A 48 CYS SG : rot -48:sc= -9.85! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0142) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -3.24! (180deg=-4.37!) USER MOD Single : A 66 THR OG1 : rot -46:sc= 0.928 USER MOD Single : A 71 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 87:sc= 1.11 USER MOD Single : A 82 ASN : amide:sc= -4.74! K(o=-4.7!,f=-2.3) USER MOD Single : A 86 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.58) USER MOD Single : A 87 GLN : amide:sc= -6.32! C(o=-6.3!,f=-5.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.954 X(o=-0.95,f=-0.68) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.6!) USER MOD Single : A 111 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.1!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.702 4.084 -5.762 1.00 0.00 N ATOM 71 CA THR A 27 -18.440 4.000 -6.469 1.00 0.00 C ATOM 72 C THR A 27 -17.516 5.123 -6.004 1.00 0.00 C ATOM 73 O THR A 27 -16.294 4.989 -6.029 1.00 0.00 O ATOM 74 CB THR A 27 -18.681 4.060 -7.981 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.566 2.772 -8.557 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.728 4.972 -8.715 1.00 0.00 C ATOM 0 HA THR A 27 -17.957 3.049 -6.247 1.00 0.00 H new ATOM 0 HB THR A 27 -19.689 4.460 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.565 2.849 -9.534 1.00 0.00 H new ATOM 0 HG21 THR A 27 -17.962 4.961 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.828 5.987 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.705 4.627 -8.565 1.00 0.00 H new ATOM 84 N LYS A 28 -18.114 6.226 -5.560 1.00 0.00 N ATOM 85 CA LYS A 28 -17.346 7.359 -5.067 1.00 0.00 C ATOM 86 C LYS A 28 -16.620 6.962 -3.790 1.00 0.00 C ATOM 87 O LYS A 28 -15.469 7.340 -3.569 1.00 0.00 O ATOM 88 CB LYS A 28 -18.261 8.556 -4.804 1.00 0.00 C ATOM 89 CG LYS A 28 -17.534 9.892 -4.816 1.00 0.00 C ATOM 90 CD LYS A 28 -17.003 10.227 -6.201 1.00 0.00 C ATOM 91 CE LYS A 28 -15.600 10.808 -6.136 1.00 0.00 C ATOM 92 NZ LYS A 28 -14.962 10.872 -7.480 1.00 0.00 N ATOM 0 H LYS A 28 -19.125 6.356 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.616 7.648 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.048 8.573 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.748 8.425 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.212 10.679 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.708 9.864 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.997 9.327 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.671 10.940 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.641 11.809 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.986 10.200 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.007 11.274 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.899 9.914 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.534 11.473 -8.108 1.00 0.00 H new ATOM 106 N GLU A 29 -17.299 6.173 -2.959 1.00 0.00 N ATOM 107 CA GLU A 29 -16.716 5.699 -1.713 1.00 0.00 C ATOM 108 C GLU A 29 -15.497 4.838 -2.012 1.00 0.00 C ATOM 109 O GLU A 29 -14.506 4.865 -1.283 1.00 0.00 O ATOM 110 CB GLU A 29 -17.743 4.896 -0.914 1.00 0.00 C ATOM 111 CG GLU A 29 -18.660 5.757 -0.061 1.00 0.00 C ATOM 112 CD GLU A 29 -19.104 5.056 1.208 1.00 0.00 C ATOM 113 OE1 GLU A 29 -19.624 3.924 1.110 1.00 0.00 O ATOM 114 OE2 GLU A 29 -18.932 5.639 2.299 1.00 0.00 O ATOM 0 H GLU A 29 -18.252 5.851 -3.129 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.411 6.559 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.349 4.308 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.218 4.190 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.145 6.682 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.538 6.035 -0.644 1.00 0.00 H new ATOM 121 N LEU A 30 -15.579 4.084 -3.104 1.00 0.00 N ATOM 122 CA LEU A 30 -14.482 3.221 -3.523 1.00 0.00 C ATOM 123 C LEU A 30 -13.231 4.052 -3.777 1.00 0.00 C ATOM 124 O LEU A 30 -12.162 3.766 -3.238 1.00 0.00 O ATOM 125 CB LEU A 30 -14.876 2.443 -4.782 1.00 0.00 C ATOM 126 CG LEU A 30 -13.714 1.930 -5.634 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.908 0.897 -4.865 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.230 1.345 -6.940 1.00 0.00 C ATOM 0 H LEU A 30 -16.395 4.054 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.268 2.507 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.488 1.592 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.502 3.084 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.060 2.769 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.085 0.542 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.509 1.349 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.551 0.058 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.390 0.985 -7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.905 0.516 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.765 2.114 -7.497 1.00 0.00 H new ATOM 140 N SER A 31 -13.378 5.095 -4.589 1.00 0.00 N ATOM 141 CA SER A 31 -12.263 5.981 -4.898 1.00 0.00 C ATOM 142 C SER A 31 -11.659 6.527 -3.608 1.00 0.00 C ATOM 143 O SER A 31 -10.483 6.883 -3.564 1.00 0.00 O ATOM 144 CB SER A 31 -12.728 7.134 -5.791 1.00 0.00 C ATOM 145 OG SER A 31 -11.634 7.730 -6.465 1.00 0.00 O ATOM 0 H SER A 31 -14.256 5.346 -5.043 1.00 0.00 H new ATOM 0 HA SER A 31 -11.503 5.413 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.451 6.766 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.239 7.883 -5.186 1.00 0.00 H new ATOM 0 HG SER A 31 -11.958 8.463 -7.030 1.00 0.00 H new ATOM 151 N ASN A 32 -12.472 6.571 -2.552 1.00 0.00 N ATOM 152 CA ASN A 32 -12.011 7.049 -1.257 1.00 0.00 C ATOM 153 C ASN A 32 -11.025 6.050 -0.667 1.00 0.00 C ATOM 154 O ASN A 32 -10.015 6.428 -0.075 1.00 0.00 O ATOM 155 CB ASN A 32 -13.195 7.254 -0.307 1.00 0.00 C ATOM 156 CG ASN A 32 -13.289 8.679 0.200 1.00 0.00 C ATOM 157 OD1 ASN A 32 -12.274 9.339 0.424 1.00 0.00 O ATOM 158 ND2 ASN A 32 -14.512 9.162 0.385 1.00 0.00 N ATOM 0 H ASN A 32 -13.450 6.281 -2.572 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.512 8.009 -1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.120 6.993 -0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.099 6.575 0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.638 10.115 0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.326 8.580 0.187 1.00 0.00 H new ATOM 165 N LEU A 33 -11.317 4.766 -0.863 1.00 0.00 N ATOM 166 CA LEU A 33 -10.445 3.704 -0.381 1.00 0.00 C ATOM 167 C LEU A 33 -9.203 3.648 -1.255 1.00 0.00 C ATOM 168 O LEU A 33 -8.081 3.536 -0.764 1.00 0.00 O ATOM 169 CB LEU A 33 -11.167 2.353 -0.405 1.00 0.00 C ATOM 170 CG LEU A 33 -12.666 2.402 -0.098 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.343 1.120 -0.552 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.899 2.638 1.386 1.00 0.00 C ATOM 0 H LEU A 33 -12.150 4.439 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.162 3.916 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.030 1.905 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.687 1.691 0.316 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.105 3.234 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.408 1.171 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.205 0.996 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.902 0.271 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.970 2.670 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.447 1.828 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.447 3.586 1.679 1.00 0.00 H new ATOM 184 N ILE A 34 -9.421 3.759 -2.560 1.00 0.00 N ATOM 185 CA ILE A 34 -8.334 3.756 -3.524 1.00 0.00 C ATOM 186 C ILE A 34 -7.458 4.984 -3.310 1.00 0.00 C ATOM 187 O ILE A 34 -6.230 4.897 -3.321 1.00 0.00 O ATOM 188 CB ILE A 34 -8.882 3.750 -4.969 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.449 2.374 -5.312 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.810 4.149 -5.974 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.177 2.334 -6.635 1.00 0.00 C ATOM 0 H ILE A 34 -10.348 3.853 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.741 2.853 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.681 4.489 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.635 1.649 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.132 2.064 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.230 4.134 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.452 5.153 -5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.979 3.446 -5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.553 1.326 -6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.012 3.034 -6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.492 2.613 -7.436 1.00 0.00 H new ATOM 203 N GLU A 35 -8.104 6.129 -3.107 1.00 0.00 N ATOM 204 CA GLU A 35 -7.391 7.378 -2.881 1.00 0.00 C ATOM 205 C GLU A 35 -6.410 7.218 -1.728 1.00 0.00 C ATOM 206 O GLU A 35 -5.322 7.794 -1.737 1.00 0.00 O ATOM 207 CB GLU A 35 -8.376 8.510 -2.580 1.00 0.00 C ATOM 208 CG GLU A 35 -8.911 9.197 -3.826 1.00 0.00 C ATOM 209 CD GLU A 35 -7.926 10.190 -4.411 1.00 0.00 C ATOM 210 OE1 GLU A 35 -7.560 11.152 -3.703 1.00 0.00 O ATOM 211 OE2 GLU A 35 -7.522 10.007 -5.579 1.00 0.00 O ATOM 0 H GLU A 35 -9.120 6.215 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.838 7.631 -3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.213 8.110 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.884 9.251 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.152 8.444 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.840 9.713 -3.582 1.00 0.00 H new ATOM 218 N THR A 36 -6.794 6.407 -0.747 1.00 0.00 N ATOM 219 CA THR A 36 -5.936 6.149 0.396 1.00 0.00 C ATOM 220 C THR A 36 -4.870 5.141 -0.004 1.00 0.00 C ATOM 221 O THR A 36 -3.699 5.291 0.334 1.00 0.00 O ATOM 222 CB THR A 36 -6.762 5.646 1.591 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.403 6.344 2.771 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.605 4.165 1.874 1.00 0.00 C ATOM 0 H THR A 36 -7.690 5.921 -0.724 1.00 0.00 H new ATOM 0 HA THR A 36 -5.450 7.074 0.706 1.00 0.00 H new ATOM 0 HB THR A 36 -7.799 5.828 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.939 6.014 3.522 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.220 3.891 2.731 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.922 3.592 1.002 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.560 3.945 2.092 1.00 0.00 H new ATOM 232 N PHE A 37 -5.286 4.125 -0.758 1.00 0.00 N ATOM 233 CA PHE A 37 -4.364 3.107 -1.235 1.00 0.00 C ATOM 234 C PHE A 37 -3.268 3.764 -2.058 1.00 0.00 C ATOM 235 O PHE A 37 -2.094 3.425 -1.934 1.00 0.00 O ATOM 236 CB PHE A 37 -5.099 2.064 -2.078 1.00 0.00 C ATOM 237 CG PHE A 37 -4.365 0.754 -2.216 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.446 0.330 -1.260 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.594 -0.053 -3.317 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.774 -0.869 -1.410 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.926 -1.252 -3.468 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.015 -1.659 -2.514 1.00 0.00 C ATOM 0 H PHE A 37 -6.254 3.989 -1.049 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.922 2.601 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.076 1.875 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.276 2.475 -3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.256 0.944 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.305 0.259 -4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.061 -1.186 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.116 -1.871 -4.332 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.491 -2.596 -2.632 1.00 0.00 H new ATOM 252 N ALA A 38 -3.666 4.728 -2.886 1.00 0.00 N ATOM 253 CA ALA A 38 -2.717 5.459 -3.711 1.00 0.00 C ATOM 254 C ALA A 38 -1.687 6.144 -2.825 1.00 0.00 C ATOM 255 O ALA A 38 -0.497 6.165 -3.136 1.00 0.00 O ATOM 256 CB ALA A 38 -3.439 6.477 -4.581 1.00 0.00 C ATOM 0 H ALA A 38 -4.637 5.018 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.205 4.757 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.713 7.014 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.149 5.963 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.973 7.184 -3.946 1.00 0.00 H new ATOM 262 N GLU A 39 -2.156 6.682 -1.701 1.00 0.00 N ATOM 263 CA GLU A 39 -1.278 7.342 -0.747 1.00 0.00 C ATOM 264 C GLU A 39 -0.449 6.290 -0.017 1.00 0.00 C ATOM 265 O GLU A 39 0.766 6.426 0.125 1.00 0.00 O ATOM 266 CB GLU A 39 -2.104 8.185 0.239 1.00 0.00 C ATOM 267 CG GLU A 39 -1.662 8.078 1.693 1.00 0.00 C ATOM 268 CD GLU A 39 -2.095 9.272 2.522 1.00 0.00 C ATOM 269 OE1 GLU A 39 -3.196 9.803 2.268 1.00 0.00 O ATOM 270 OE2 GLU A 39 -1.332 9.675 3.425 1.00 0.00 O ATOM 0 H GLU A 39 -3.140 6.672 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.602 8.016 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.053 9.230 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.149 7.883 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.075 7.168 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.577 7.986 1.733 1.00 0.00 H new ATOM 277 N GLN A 40 -1.121 5.229 0.422 1.00 0.00 N ATOM 278 CA GLN A 40 -0.458 4.136 1.113 1.00 0.00 C ATOM 279 C GLN A 40 0.591 3.514 0.201 1.00 0.00 C ATOM 280 O GLN A 40 1.660 3.100 0.651 1.00 0.00 O ATOM 281 CB GLN A 40 -1.478 3.079 1.540 1.00 0.00 C ATOM 282 CG GLN A 40 -2.596 3.624 2.413 1.00 0.00 C ATOM 283 CD GLN A 40 -2.264 3.565 3.889 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.138 3.248 4.273 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.247 3.871 4.726 1.00 0.00 N ATOM 0 H GLN A 40 -2.127 5.106 0.309 1.00 0.00 H new ATOM 0 HA GLN A 40 0.030 4.526 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.913 2.626 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.961 2.286 2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.801 4.657 2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.507 3.056 2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.165 4.128 4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.085 3.849 5.733 1.00 0.00 H new ATOM 294 N SER A 41 0.279 3.470 -1.094 1.00 0.00 N ATOM 295 CA SER A 41 1.196 2.922 -2.084 1.00 0.00 C ATOM 296 C SER A 41 2.482 3.732 -2.088 1.00 0.00 C ATOM 297 O SER A 41 3.576 3.183 -1.967 1.00 0.00 O ATOM 298 CB SER A 41 0.559 2.937 -3.475 1.00 0.00 C ATOM 299 OG SER A 41 1.073 1.892 -4.283 1.00 0.00 O ATOM 0 H SER A 41 -0.603 3.808 -1.479 1.00 0.00 H new ATOM 0 HA SER A 41 1.421 1.888 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.522 2.833 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.747 3.898 -3.954 1.00 0.00 H new ATOM 0 HG SER A 41 0.649 1.922 -5.166 1.00 0.00 H new ATOM 305 N ARG A 42 2.339 5.049 -2.194 1.00 0.00 N ATOM 306 CA ARG A 42 3.494 5.936 -2.173 1.00 0.00 C ATOM 307 C ARG A 42 4.162 5.848 -0.810 1.00 0.00 C ATOM 308 O ARG A 42 5.373 6.011 -0.686 1.00 0.00 O ATOM 309 CB ARG A 42 3.094 7.389 -2.462 1.00 0.00 C ATOM 310 CG ARG A 42 1.849 7.537 -3.321 1.00 0.00 C ATOM 311 CD ARG A 42 1.995 8.662 -4.335 1.00 0.00 C ATOM 312 NE ARG A 42 1.255 9.857 -3.938 1.00 0.00 N ATOM 313 CZ ARG A 42 1.715 10.768 -3.082 1.00 0.00 C ATOM 314 NH1 ARG A 42 2.913 10.624 -2.527 1.00 0.00 N ATOM 315 NH2 ARG A 42 0.976 11.826 -2.778 1.00 0.00 N ATOM 0 H ARG A 42 1.441 5.522 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 42 4.186 5.621 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.931 7.904 -1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.925 7.890 -2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.653 6.600 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.987 7.732 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.050 8.911 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.639 8.322 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 42 0.329 10.003 -4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.487 9.812 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.259 11.325 -1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.055 11.943 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.329 12.523 -2.122 1.00 0.00 H new ATOM 329 N VAL A 43 3.357 5.567 0.210 1.00 0.00 N ATOM 330 CA VAL A 43 3.863 5.431 1.563 1.00 0.00 C ATOM 331 C VAL A 43 4.762 4.208 1.658 1.00 0.00 C ATOM 332 O VAL A 43 5.905 4.299 2.100 1.00 0.00 O ATOM 333 CB VAL A 43 2.708 5.314 2.582 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.112 4.484 3.791 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.252 6.692 3.018 1.00 0.00 C ATOM 0 H VAL A 43 2.350 5.430 0.120 1.00 0.00 H new ATOM 0 HA VAL A 43 4.438 6.326 1.802 1.00 0.00 H new ATOM 0 HB VAL A 43 1.880 4.803 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.275 4.423 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.389 3.481 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.962 4.953 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.438 6.595 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.084 7.221 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.905 7.252 2.150 1.00 0.00 H new ATOM 345 N LEU A 44 4.250 3.062 1.226 1.00 0.00 N ATOM 346 CA LEU A 44 5.031 1.837 1.257 1.00 0.00 C ATOM 347 C LEU A 44 6.377 2.082 0.592 1.00 0.00 C ATOM 348 O LEU A 44 7.418 1.744 1.142 1.00 0.00 O ATOM 349 CB LEU A 44 4.280 0.693 0.558 1.00 0.00 C ATOM 350 CG LEU A 44 4.190 -0.639 1.329 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.345 -1.558 0.961 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.153 -0.413 2.835 1.00 0.00 C ATOM 0 H LEU A 44 3.306 2.958 0.854 1.00 0.00 H new ATOM 0 HA LEU A 44 5.191 1.542 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.267 1.032 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.764 0.501 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 44 3.256 -1.120 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.259 -2.491 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.315 -1.769 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.289 -1.073 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.090 -1.374 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.060 0.105 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.283 0.192 3.091 1.00 0.00 H new ATOM 364 N GLU A 45 6.353 2.710 -0.578 1.00 0.00 N ATOM 365 CA GLU A 45 7.584 3.022 -1.285 1.00 0.00 C ATOM 366 C GLU A 45 8.398 4.038 -0.486 1.00 0.00 C ATOM 367 O GLU A 45 9.628 4.035 -0.528 1.00 0.00 O ATOM 368 CB GLU A 45 7.277 3.542 -2.698 1.00 0.00 C ATOM 369 CG GLU A 45 7.309 5.056 -2.829 1.00 0.00 C ATOM 370 CD GLU A 45 6.454 5.563 -3.974 1.00 0.00 C ATOM 371 OE1 GLU A 45 5.603 4.792 -4.467 1.00 0.00 O ATOM 372 OE2 GLU A 45 6.635 6.731 -4.379 1.00 0.00 O ATOM 0 H GLU A 45 5.501 3.010 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 45 8.176 2.113 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.998 3.114 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.292 3.184 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.964 5.504 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.338 5.382 -2.978 1.00 0.00 H new ATOM 379 N LYS A 46 7.698 4.895 0.257 1.00 0.00 N ATOM 380 CA LYS A 46 8.355 5.904 1.082 1.00 0.00 C ATOM 381 C LYS A 46 9.063 5.235 2.253 1.00 0.00 C ATOM 382 O LYS A 46 10.249 5.459 2.486 1.00 0.00 O ATOM 383 CB LYS A 46 7.340 6.955 1.567 1.00 0.00 C ATOM 384 CG LYS A 46 6.927 6.832 3.032 1.00 0.00 C ATOM 385 CD LYS A 46 5.952 7.926 3.433 1.00 0.00 C ATOM 386 CE LYS A 46 5.407 7.695 4.834 1.00 0.00 C ATOM 387 NZ LYS A 46 6.327 8.218 5.881 1.00 0.00 N ATOM 0 H LYS A 46 6.679 4.910 0.303 1.00 0.00 H new ATOM 0 HA LYS A 46 9.102 6.423 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.764 7.947 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.446 6.887 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.470 5.857 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.812 6.883 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.451 8.894 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.127 7.960 2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.435 8.179 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.248 6.628 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.844 8.212 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.174 7.617 5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.606 9.191 5.643 1.00 0.00 H new ATOM 401 N GLU A 47 8.334 4.392 2.975 1.00 0.00 N ATOM 402 CA GLU A 47 8.911 3.676 4.099 1.00 0.00 C ATOM 403 C GLU A 47 9.906 2.648 3.587 1.00 0.00 C ATOM 404 O GLU A 47 10.953 2.423 4.193 1.00 0.00 O ATOM 405 CB GLU A 47 7.818 2.984 4.917 1.00 0.00 C ATOM 406 CG GLU A 47 7.020 3.923 5.809 1.00 0.00 C ATOM 407 CD GLU A 47 7.887 4.937 6.532 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.575 4.547 7.500 1.00 0.00 O ATOM 409 OE2 GLU A 47 7.878 6.120 6.132 1.00 0.00 O ATOM 0 H GLU A 47 7.349 4.190 2.802 1.00 0.00 H new ATOM 0 HA GLU A 47 9.423 4.389 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.134 2.479 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.276 2.213 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.283 4.450 5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.469 3.336 6.543 1.00 0.00 H new ATOM 416 N CYS A 48 9.571 2.037 2.455 1.00 0.00 N ATOM 417 CA CYS A 48 10.429 1.038 1.839 1.00 0.00 C ATOM 418 C CYS A 48 11.737 1.666 1.380 1.00 0.00 C ATOM 419 O CYS A 48 12.800 1.056 1.499 1.00 0.00 O ATOM 420 CB CYS A 48 9.718 0.377 0.657 1.00 0.00 C ATOM 421 SG CYS A 48 8.390 -0.754 1.136 1.00 0.00 S ATOM 0 H CYS A 48 8.706 2.219 1.946 1.00 0.00 H new ATOM 0 HA CYS A 48 10.653 0.274 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.305 1.154 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.451 -0.170 0.065 1.00 0.00 H new ATOM 0 HG CYS A 48 8.816 -1.553 2.069 1.00 0.00 H new ATOM 427 N THR A 49 11.666 2.895 0.869 1.00 0.00 N ATOM 428 CA THR A 49 12.870 3.583 0.420 1.00 0.00 C ATOM 429 C THR A 49 13.791 3.835 1.608 1.00 0.00 C ATOM 430 O THR A 49 15.013 3.882 1.466 1.00 0.00 O ATOM 431 CB THR A 49 12.522 4.896 -0.296 1.00 0.00 C ATOM 432 OG1 THR A 49 13.628 5.358 -1.052 1.00 0.00 O ATOM 433 CG2 THR A 49 12.107 6.020 0.631 1.00 0.00 C ATOM 0 H THR A 49 10.802 3.425 0.758 1.00 0.00 H new ATOM 0 HA THR A 49 13.389 2.949 -0.299 1.00 0.00 H new ATOM 0 HB THR A 49 11.670 4.649 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.389 6.195 -1.503 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.879 6.910 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.223 5.720 1.194 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.920 6.240 1.323 1.00 0.00 H new ATOM 441 N LYS A 50 13.188 3.981 2.787 1.00 0.00 N ATOM 442 CA LYS A 50 13.939 4.211 4.011 1.00 0.00 C ATOM 443 C LYS A 50 14.519 2.901 4.541 1.00 0.00 C ATOM 444 O LYS A 50 15.531 2.899 5.243 1.00 0.00 O ATOM 445 CB LYS A 50 13.036 4.850 5.066 1.00 0.00 C ATOM 446 CG LYS A 50 12.517 6.220 4.665 1.00 0.00 C ATOM 447 CD LYS A 50 11.131 6.478 5.226 1.00 0.00 C ATOM 448 CE LYS A 50 10.771 7.953 5.163 1.00 0.00 C ATOM 449 NZ LYS A 50 11.447 8.737 6.233 1.00 0.00 N ATOM 0 H LYS A 50 12.177 3.943 2.916 1.00 0.00 H new ATOM 0 HA LYS A 50 14.764 4.889 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.189 4.190 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.589 4.938 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.203 6.988 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.490 6.296 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.397 5.899 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.086 6.135 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.050 8.353 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.691 8.067 5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.085 9.712 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.256 8.300 7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.473 8.748 6.060 1.00 0.00 H new ATOM 463 N ILE A 51 13.873 1.786 4.198 1.00 0.00 N ATOM 464 CA ILE A 51 14.328 0.471 4.637 1.00 0.00 C ATOM 465 C ILE A 51 15.794 0.259 4.282 1.00 0.00 C ATOM 466 O ILE A 51 16.192 0.380 3.123 1.00 0.00 O ATOM 467 CB ILE A 51 13.469 -0.658 4.018 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.034 -0.567 4.544 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.066 -2.036 4.311 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.894 -0.972 5.993 1.00 0.00 C ATOM 0 H ILE A 51 13.034 1.770 3.618 1.00 0.00 H new ATOM 0 HA ILE A 51 14.217 0.433 5.721 1.00 0.00 H new ATOM 0 HB ILE A 51 13.460 -0.529 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.677 0.456 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.391 -1.202 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.439 -2.807 3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.070 -2.095 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.115 -2.190 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.851 -0.883 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.220 -2.005 6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.510 -0.321 6.614 1.00 0.00 H new ATOM 606 N LEU A 60 10.119 1.176 12.135 1.00 0.00 N ATOM 607 CA LEU A 60 9.718 1.392 10.753 1.00 0.00 C ATOM 608 C LEU A 60 9.190 0.089 10.158 1.00 0.00 C ATOM 609 O LEU A 60 8.051 0.024 9.696 1.00 0.00 O ATOM 610 CB LEU A 60 10.905 1.935 9.938 1.00 0.00 C ATOM 611 CG LEU A 60 11.017 1.442 8.490 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.687 1.584 7.765 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.110 2.204 7.754 1.00 0.00 C ATOM 0 HA LEU A 60 8.919 2.132 10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.842 3.023 9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.826 1.675 10.460 1.00 0.00 H new ATOM 0 HG LEU A 60 11.282 0.385 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.791 1.228 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.928 0.994 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.387 2.632 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.177 1.843 6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.872 3.268 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.064 2.048 8.257 1.00 0.00 H new ATOM 625 N ARG A 61 10.022 -0.947 10.179 1.00 0.00 N ATOM 626 CA ARG A 61 9.623 -2.249 9.644 1.00 0.00 C ATOM 627 C ARG A 61 8.351 -2.728 10.334 1.00 0.00 C ATOM 628 O ARG A 61 7.488 -3.343 9.709 1.00 0.00 O ATOM 629 CB ARG A 61 10.731 -3.311 9.791 1.00 0.00 C ATOM 630 CG ARG A 61 11.985 -2.841 10.512 1.00 0.00 C ATOM 631 CD ARG A 61 12.847 -1.956 9.623 1.00 0.00 C ATOM 632 NE ARG A 61 13.493 -2.712 8.553 1.00 0.00 N ATOM 633 CZ ARG A 61 14.615 -2.328 7.949 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.204 -1.190 8.287 1.00 0.00 N ATOM 635 NH2 ARG A 61 15.146 -3.080 6.996 1.00 0.00 N ATOM 0 H ARG A 61 10.969 -0.914 10.557 1.00 0.00 H new ATOM 0 HA ARG A 61 9.440 -2.117 8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.322 -4.168 10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.012 -3.661 8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.704 -2.291 11.410 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.564 -3.706 10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.230 -1.169 9.189 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.608 -1.466 10.230 1.00 0.00 H new ATOM 0 HE ARG A 61 13.059 -3.584 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.798 -0.602 9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.064 -0.902 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.695 -3.954 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.006 -2.785 6.533 1.00 0.00 H new ATOM 649 N TYR A 62 8.232 -2.422 11.624 1.00 0.00 N ATOM 650 CA TYR A 62 7.052 -2.804 12.385 1.00 0.00 C ATOM 651 C TYR A 62 5.859 -1.986 11.919 1.00 0.00 C ATOM 652 O TYR A 62 4.820 -2.533 11.563 1.00 0.00 O ATOM 653 CB TYR A 62 7.287 -2.594 13.883 1.00 0.00 C ATOM 654 CG TYR A 62 7.555 -3.877 14.636 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.508 -4.643 15.133 1.00 0.00 C ATOM 656 CD2 TYR A 62 8.853 -4.323 14.849 1.00 0.00 C ATOM 657 CE1 TYR A 62 6.747 -5.816 15.822 1.00 0.00 C ATOM 658 CE2 TYR A 62 9.101 -5.496 15.537 1.00 0.00 C ATOM 659 CZ TYR A 62 8.045 -6.239 16.021 1.00 0.00 C ATOM 660 OH TYR A 62 8.287 -7.407 16.706 1.00 0.00 O ATOM 0 H TYR A 62 8.936 -1.913 12.159 1.00 0.00 H new ATOM 0 HA TYR A 62 6.850 -3.862 12.217 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.132 -1.919 14.019 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.414 -2.104 14.315 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.490 -4.316 14.978 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.682 -3.744 14.471 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.922 -6.399 16.203 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.116 -5.829 15.695 1.00 0.00 H new ATOM 0 HH TYR A 62 9.253 -7.562 16.758 1.00 0.00 H new ATOM 670 N LYS A 63 6.026 -0.671 11.899 1.00 0.00 N ATOM 671 CA LYS A 63 4.971 0.226 11.450 1.00 0.00 C ATOM 672 C LYS A 63 4.530 -0.152 10.039 1.00 0.00 C ATOM 673 O LYS A 63 3.360 -0.019 9.681 1.00 0.00 O ATOM 674 CB LYS A 63 5.474 1.675 11.488 1.00 0.00 C ATOM 675 CG LYS A 63 4.579 2.670 10.764 1.00 0.00 C ATOM 676 CD LYS A 63 5.364 3.888 10.304 1.00 0.00 C ATOM 677 CE LYS A 63 5.801 3.757 8.853 1.00 0.00 C ATOM 678 NZ LYS A 63 5.167 4.790 7.987 1.00 0.00 N ATOM 0 H LYS A 63 6.884 -0.201 12.189 1.00 0.00 H new ATOM 0 HA LYS A 63 4.112 0.135 12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.574 1.985 12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.470 1.713 11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.117 2.187 9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.771 2.984 11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.751 4.782 10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.241 4.017 10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.886 3.847 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.542 2.765 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.912 4.367 7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.310 5.154 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.835 5.572 7.833 1.00 0.00 H new ATOM 692 N ILE A 64 5.483 -0.620 9.243 1.00 0.00 N ATOM 693 CA ILE A 64 5.215 -1.015 7.874 1.00 0.00 C ATOM 694 C ILE A 64 4.347 -2.276 7.805 1.00 0.00 C ATOM 695 O ILE A 64 3.303 -2.285 7.153 1.00 0.00 O ATOM 696 CB ILE A 64 6.547 -1.233 7.113 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.795 -0.069 6.154 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.566 -2.561 6.368 1.00 0.00 C ATOM 699 CD1 ILE A 64 7.987 -0.261 5.239 1.00 0.00 C ATOM 0 H ILE A 64 6.455 -0.734 9.529 1.00 0.00 H new ATOM 0 HA ILE A 64 4.657 -0.209 7.398 1.00 0.00 H new ATOM 0 HB ILE A 64 7.351 -1.268 7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.904 0.081 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.940 0.841 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.518 -2.673 5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.442 -3.378 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.752 -2.583 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.093 0.609 4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.890 -0.379 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.837 -1.151 4.628 1.00 0.00 H new ATOM 711 N GLU A 65 4.797 -3.343 8.460 1.00 0.00 N ATOM 712 CA GLU A 65 4.074 -4.612 8.445 1.00 0.00 C ATOM 713 C GLU A 65 2.912 -4.632 9.435 1.00 0.00 C ATOM 714 O GLU A 65 1.964 -5.399 9.267 1.00 0.00 O ATOM 715 CB GLU A 65 5.033 -5.764 8.753 1.00 0.00 C ATOM 716 CG GLU A 65 6.104 -5.964 7.693 1.00 0.00 C ATOM 717 CD GLU A 65 6.111 -7.371 7.127 1.00 0.00 C ATOM 718 OE1 GLU A 65 5.032 -7.999 7.085 1.00 0.00 O ATOM 719 OE2 GLU A 65 7.195 -7.844 6.726 1.00 0.00 O ATOM 0 H GLU A 65 5.658 -3.355 9.007 1.00 0.00 H new ATOM 0 HA GLU A 65 3.655 -4.732 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.514 -5.578 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.460 -6.685 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.946 -5.252 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.081 -5.745 8.124 1.00 0.00 H new ATOM 726 N THR A 66 2.993 -3.815 10.478 1.00 0.00 N ATOM 727 CA THR A 66 1.954 -3.775 11.490 1.00 0.00 C ATOM 728 C THR A 66 0.984 -2.609 11.285 1.00 0.00 C ATOM 729 O THR A 66 -0.056 -2.549 11.940 1.00 0.00 O ATOM 730 CB THR A 66 2.590 -3.676 12.873 1.00 0.00 C ATOM 731 OG1 THR A 66 2.993 -2.348 13.151 1.00 0.00 O ATOM 732 CG2 THR A 66 3.798 -4.573 13.048 1.00 0.00 C ATOM 0 H THR A 66 3.768 -3.173 10.642 1.00 0.00 H new ATOM 0 HA THR A 66 1.378 -4.697 11.403 1.00 0.00 H new ATOM 0 HB THR A 66 1.815 -4.004 13.566 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.466 -1.981 12.375 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.199 -4.451 14.054 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.505 -5.612 12.898 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.561 -4.302 12.318 1.00 0.00 H new ATOM 740 N GLU A 67 1.319 -1.677 10.393 1.00 0.00 N ATOM 741 CA GLU A 67 0.447 -0.527 10.156 1.00 0.00 C ATOM 742 C GLU A 67 0.251 -0.240 8.663 1.00 0.00 C ATOM 743 O GLU A 67 -0.879 -0.058 8.210 1.00 0.00 O ATOM 744 CB GLU A 67 0.999 0.709 10.887 1.00 0.00 C ATOM 745 CG GLU A 67 1.125 1.958 10.023 1.00 0.00 C ATOM 746 CD GLU A 67 1.400 3.205 10.840 1.00 0.00 C ATOM 747 OE1 GLU A 67 0.873 3.304 11.968 1.00 0.00 O ATOM 748 OE2 GLU A 67 2.144 4.082 10.353 1.00 0.00 O ATOM 0 H GLU A 67 2.171 -1.693 9.832 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.537 -0.770 10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.350 0.933 11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.980 0.465 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.929 1.816 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.206 2.096 9.454 1.00 0.00 H new ATOM 755 N LEU A 68 1.342 -0.181 7.902 1.00 0.00 N ATOM 756 CA LEU A 68 1.245 0.109 6.473 1.00 0.00 C ATOM 757 C LEU A 68 0.616 -1.054 5.706 1.00 0.00 C ATOM 758 O LEU A 68 -0.597 -1.076 5.500 1.00 0.00 O ATOM 759 CB LEU A 68 2.619 0.454 5.890 1.00 0.00 C ATOM 760 CG LEU A 68 3.210 1.787 6.361 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.463 2.126 5.569 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.183 2.903 6.237 1.00 0.00 C ATOM 0 H LEU A 68 2.291 -0.328 8.245 1.00 0.00 H new ATOM 0 HA LEU A 68 0.594 0.976 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.315 -0.345 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.541 0.473 4.803 1.00 0.00 H new ATOM 0 HG LEU A 68 3.483 1.687 7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.868 3.076 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.206 1.341 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.214 2.204 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.622 3.841 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.877 3.002 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.313 2.667 6.850 1.00 0.00 H new ATOM 774 N ILE A 69 1.442 -2.012 5.278 1.00 0.00 N ATOM 775 CA ILE A 69 0.964 -3.175 4.526 1.00 0.00 C ATOM 776 C ILE A 69 -0.414 -3.642 5.007 1.00 0.00 C ATOM 777 O ILE A 69 -1.355 -3.725 4.217 1.00 0.00 O ATOM 778 CB ILE A 69 1.979 -4.343 4.604 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.093 -4.132 3.578 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.303 -5.692 4.378 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.403 -4.782 3.961 1.00 0.00 C ATOM 0 H ILE A 69 2.449 -2.005 5.440 1.00 0.00 H new ATOM 0 HA ILE A 69 0.867 -2.861 3.487 1.00 0.00 H new ATOM 0 HB ILE A 69 2.405 -4.352 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.769 -4.528 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.254 -3.062 3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.047 -6.487 4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.540 -5.849 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.839 -5.706 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.145 -4.590 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.751 -4.368 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.259 -5.857 4.066 1.00 0.00 H new ATOM 793 N PRO A 70 -0.559 -3.950 6.308 1.00 0.00 N ATOM 794 CA PRO A 70 -1.833 -4.402 6.870 1.00 0.00 C ATOM 795 C PRO A 70 -2.987 -3.481 6.493 1.00 0.00 C ATOM 796 O PRO A 70 -4.105 -3.936 6.256 1.00 0.00 O ATOM 797 CB PRO A 70 -1.604 -4.375 8.388 1.00 0.00 C ATOM 798 CG PRO A 70 -0.301 -3.673 8.590 1.00 0.00 C ATOM 799 CD PRO A 70 0.489 -3.885 7.333 1.00 0.00 C ATOM 0 HA PRO A 70 -2.110 -5.386 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.413 -3.851 8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.572 -5.385 8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.456 -2.611 8.777 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.228 -4.075 9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.187 -3.068 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.076 -4.803 7.372 1.00 0.00 H new ATOM 807 N ASN A 71 -2.708 -2.183 6.444 1.00 0.00 N ATOM 808 CA ASN A 71 -3.723 -1.195 6.100 1.00 0.00 C ATOM 809 C ASN A 71 -3.847 -1.034 4.588 1.00 0.00 C ATOM 810 O ASN A 71 -4.945 -0.833 4.067 1.00 0.00 O ATOM 811 CB ASN A 71 -3.393 0.153 6.742 1.00 0.00 C ATOM 812 CG ASN A 71 -3.630 0.154 8.240 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.224 -0.775 8.786 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.164 1.201 8.912 1.00 0.00 N ATOM 0 H ASN A 71 -1.787 -1.791 6.638 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.678 -1.551 6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.351 0.402 6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.001 0.931 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.293 1.257 9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.677 1.949 8.418 1.00 0.00 H new ATOM 821 N CYS A 72 -2.723 -1.129 3.883 1.00 0.00 N ATOM 822 CA CYS A 72 -2.730 -0.997 2.432 1.00 0.00 C ATOM 823 C CYS A 72 -3.527 -2.132 1.810 1.00 0.00 C ATOM 824 O CYS A 72 -4.479 -1.901 1.065 1.00 0.00 O ATOM 825 CB CYS A 72 -1.303 -0.990 1.873 1.00 0.00 C ATOM 826 SG CYS A 72 -0.122 -0.024 2.842 1.00 0.00 S ATOM 0 H CYS A 72 -1.803 -1.296 4.291 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.200 -0.047 2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.946 -2.018 1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.327 -0.597 0.856 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.516 0.029 4.080 1.00 0.00 H new ATOM 832 N THR A 73 -3.143 -3.360 2.135 1.00 0.00 N ATOM 833 CA THR A 73 -3.838 -4.528 1.620 1.00 0.00 C ATOM 834 C THR A 73 -5.268 -4.548 2.146 1.00 0.00 C ATOM 835 O THR A 73 -6.211 -4.800 1.397 1.00 0.00 O ATOM 836 CB THR A 73 -3.100 -5.807 2.017 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.509 -6.896 1.208 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.319 -6.199 3.460 1.00 0.00 C ATOM 0 H THR A 73 -2.357 -3.570 2.750 1.00 0.00 H new ATOM 0 HA THR A 73 -3.863 -4.476 0.532 1.00 0.00 H new ATOM 0 HB THR A 73 -2.042 -5.586 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.024 -7.704 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.768 -7.114 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.965 -5.400 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.382 -6.366 3.634 1.00 0.00 H new ATOM 846 N SER A 74 -5.432 -4.244 3.434 1.00 0.00 N ATOM 847 CA SER A 74 -6.762 -4.196 4.029 1.00 0.00 C ATOM 848 C SER A 74 -7.622 -3.221 3.237 1.00 0.00 C ATOM 849 O SER A 74 -8.834 -3.393 3.110 1.00 0.00 O ATOM 850 CB SER A 74 -6.685 -3.762 5.494 1.00 0.00 C ATOM 851 OG SER A 74 -7.968 -3.431 5.996 1.00 0.00 O ATOM 0 H SER A 74 -4.669 -4.030 4.076 1.00 0.00 H new ATOM 0 HA SER A 74 -7.206 -5.191 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.253 -4.564 6.092 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.022 -2.902 5.587 1.00 0.00 H new ATOM 0 HG SER A 74 -7.892 -3.158 6.934 1.00 0.00 H new ATOM 857 N VAL A 75 -6.961 -2.209 2.681 1.00 0.00 N ATOM 858 CA VAL A 75 -7.622 -1.207 1.867 1.00 0.00 C ATOM 859 C VAL A 75 -8.043 -1.830 0.534 1.00 0.00 C ATOM 860 O VAL A 75 -9.050 -1.439 -0.057 1.00 0.00 O ATOM 861 CB VAL A 75 -6.684 0.013 1.657 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.507 0.365 0.189 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.185 1.219 2.437 1.00 0.00 C ATOM 0 H VAL A 75 -5.956 -2.065 2.785 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.518 -0.850 2.375 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.704 -0.274 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.843 1.224 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.075 -0.485 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.476 0.608 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.513 2.062 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.186 1.483 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.215 0.978 3.500 1.00 0.00 H new ATOM 873 N ARG A 76 -7.278 -2.829 0.088 1.00 0.00 N ATOM 874 CA ARG A 76 -7.583 -3.539 -1.148 1.00 0.00 C ATOM 875 C ARG A 76 -8.867 -4.332 -0.971 1.00 0.00 C ATOM 876 O ARG A 76 -9.829 -4.152 -1.715 1.00 0.00 O ATOM 877 CB ARG A 76 -6.451 -4.502 -1.513 1.00 0.00 C ATOM 878 CG ARG A 76 -5.125 -3.824 -1.806 1.00 0.00 C ATOM 879 CD ARG A 76 -4.022 -4.849 -2.015 1.00 0.00 C ATOM 880 NE ARG A 76 -4.330 -5.765 -3.109 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.441 -6.591 -3.658 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.189 -6.617 -3.218 1.00 0.00 N ATOM 883 NH2 ARG A 76 -3.805 -7.392 -4.650 1.00 0.00 N ATOM 0 H ARG A 76 -6.442 -3.162 0.568 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.697 -2.807 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.312 -5.208 -0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.750 -5.082 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.220 -3.201 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.860 -3.163 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.084 -4.335 -2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.875 -5.417 -1.096 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.282 -5.773 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.903 -6.002 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.512 -7.252 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.766 -7.375 -4.993 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.124 -8.025 -5.071 1.00 0.00 H new ATOM 897 N ASP A 77 -8.875 -5.209 0.035 1.00 0.00 N ATOM 898 CA ASP A 77 -10.045 -6.029 0.327 1.00 0.00 C ATOM 899 C ASP A 77 -11.300 -5.166 0.350 1.00 0.00 C ATOM 900 O ASP A 77 -12.383 -5.612 -0.029 1.00 0.00 O ATOM 901 CB ASP A 77 -9.875 -6.743 1.670 1.00 0.00 C ATOM 902 CG ASP A 77 -10.765 -7.965 1.792 1.00 0.00 C ATOM 903 OD1 ASP A 77 -10.582 -8.914 1.001 1.00 0.00 O ATOM 904 OD2 ASP A 77 -11.645 -7.972 2.678 1.00 0.00 O ATOM 0 H ASP A 77 -8.084 -5.367 0.659 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.146 -6.779 -0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.834 -7.042 1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.103 -6.049 2.479 1.00 0.00 H new ATOM 909 N LYS A 78 -11.136 -3.920 0.781 1.00 0.00 N ATOM 910 CA LYS A 78 -12.244 -2.981 0.834 1.00 0.00 C ATOM 911 C LYS A 78 -12.634 -2.563 -0.577 1.00 0.00 C ATOM 912 O LYS A 78 -13.817 -2.474 -0.909 1.00 0.00 O ATOM 913 CB LYS A 78 -11.862 -1.753 1.667 1.00 0.00 C ATOM 914 CG LYS A 78 -12.090 -1.935 3.160 1.00 0.00 C ATOM 915 CD LYS A 78 -12.710 -0.697 3.788 1.00 0.00 C ATOM 916 CE LYS A 78 -11.675 0.126 4.538 1.00 0.00 C ATOM 917 NZ LYS A 78 -12.258 1.378 5.094 1.00 0.00 N ATOM 0 H LYS A 78 -10.245 -3.539 1.098 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.097 -3.466 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.811 -1.520 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.440 -0.896 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.741 -2.793 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.141 -2.155 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.169 -0.085 3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.505 -0.994 4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.255 -0.470 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.853 0.375 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.520 1.911 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.636 1.959 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.025 1.140 5.754 1.00 0.00 H new ATOM 931 N ILE A 79 -11.625 -2.329 -1.408 1.00 0.00 N ATOM 932 CA ILE A 79 -11.847 -1.943 -2.791 1.00 0.00 C ATOM 933 C ILE A 79 -12.371 -3.130 -3.591 1.00 0.00 C ATOM 934 O ILE A 79 -13.338 -3.009 -4.343 1.00 0.00 O ATOM 935 CB ILE A 79 -10.541 -1.419 -3.425 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.196 -0.046 -2.852 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.649 -1.358 -4.942 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.738 0.322 -3.003 1.00 0.00 C ATOM 0 H ILE A 79 -10.642 -2.401 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.589 -1.145 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.739 -2.115 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.806 0.709 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.460 -0.026 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.713 -0.985 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.848 -2.356 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.463 -0.689 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.566 1.309 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.122 -0.412 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.474 0.335 -4.060 1.00 0.00 H new ATOM 950 N GLU A 80 -11.730 -4.280 -3.413 1.00 0.00 N ATOM 951 CA GLU A 80 -12.135 -5.491 -4.107 1.00 0.00 C ATOM 952 C GLU A 80 -13.511 -5.936 -3.631 1.00 0.00 C ATOM 953 O GLU A 80 -14.296 -6.491 -4.400 1.00 0.00 O ATOM 954 CB GLU A 80 -11.113 -6.607 -3.878 1.00 0.00 C ATOM 955 CG GLU A 80 -9.707 -6.241 -4.319 1.00 0.00 C ATOM 956 CD GLU A 80 -8.793 -7.448 -4.416 1.00 0.00 C ATOM 957 OE1 GLU A 80 -8.496 -8.053 -3.364 1.00 0.00 O ATOM 958 OE2 GLU A 80 -8.376 -7.787 -5.543 1.00 0.00 O ATOM 0 H GLU A 80 -10.928 -4.396 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.183 -5.277 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.098 -6.863 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.434 -7.499 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.752 -5.745 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.284 -5.525 -3.614 1.00 0.00 H new ATOM 965 N SER A 81 -13.804 -5.676 -2.358 1.00 0.00 N ATOM 966 CA SER A 81 -15.095 -6.039 -1.789 1.00 0.00 C ATOM 967 C SER A 81 -16.207 -5.284 -2.505 1.00 0.00 C ATOM 968 O SER A 81 -17.310 -5.799 -2.687 1.00 0.00 O ATOM 969 CB SER A 81 -15.128 -5.729 -0.291 1.00 0.00 C ATOM 970 OG SER A 81 -14.636 -6.821 0.467 1.00 0.00 O ATOM 0 H SER A 81 -13.167 -5.218 -1.706 1.00 0.00 H new ATOM 0 HA SER A 81 -15.247 -7.110 -1.923 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.529 -4.841 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.149 -5.501 0.014 1.00 0.00 H new ATOM 0 HG SER A 81 -13.661 -6.754 0.542 1.00 0.00 H new ATOM 976 N ASN A 82 -15.896 -4.060 -2.919 1.00 0.00 N ATOM 977 CA ASN A 82 -16.850 -3.221 -3.629 1.00 0.00 C ATOM 978 C ASN A 82 -16.980 -3.678 -5.080 1.00 0.00 C ATOM 979 O ASN A 82 -16.148 -3.343 -5.923 1.00 0.00 O ATOM 980 CB ASN A 82 -16.394 -1.765 -3.571 1.00 0.00 C ATOM 981 CG ASN A 82 -17.502 -0.792 -3.910 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.611 -0.882 -3.384 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.201 0.147 -4.795 1.00 0.00 N ATOM 0 H ASN A 82 -14.984 -3.627 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.826 -3.308 -3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.017 -1.546 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.565 -1.620 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.903 0.835 -5.067 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.267 0.182 -5.204 1.00 0.00 H new ATOM 990 N ILE A 83 -18.019 -4.461 -5.359 1.00 0.00 N ATOM 991 CA ILE A 83 -18.252 -4.987 -6.703 1.00 0.00 C ATOM 992 C ILE A 83 -18.140 -3.907 -7.776 1.00 0.00 C ATOM 993 O ILE A 83 -17.784 -4.197 -8.918 1.00 0.00 O ATOM 994 CB ILE A 83 -19.633 -5.663 -6.810 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.756 -6.410 -8.140 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.744 -4.633 -6.668 1.00 0.00 C ATOM 997 CD1 ILE A 83 -18.698 -7.474 -8.333 1.00 0.00 C ATOM 0 H ILE A 83 -18.715 -4.746 -4.671 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.471 -5.727 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.731 -6.384 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -20.741 -6.873 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.692 -5.693 -8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.712 -5.129 -6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.664 -4.143 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.653 -3.888 -7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.845 -7.963 -9.296 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -17.710 -7.014 -8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.775 -8.213 -7.535 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.441 -2.665 -7.411 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.365 -1.560 -8.360 1.00 0.00 C ATOM 1011 C LEU A 84 -16.987 -1.498 -9.014 1.00 0.00 C ATOM 1012 O LEU A 84 -16.830 -0.941 -10.100 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.676 -0.235 -7.664 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.162 0.114 -7.570 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.431 0.977 -6.346 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.625 0.821 -8.835 1.00 0.00 C ATOM 0 H LEU A 84 -18.738 -2.399 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.108 -1.732 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.261 -0.265 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.163 0.566 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.727 -0.812 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.493 1.216 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.138 0.435 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.855 1.900 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.685 1.062 -8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.054 1.740 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.469 0.169 -9.694 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.991 -2.082 -8.350 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.633 -2.099 -8.875 1.00 0.00 C ATOM 1030 C ILE A 85 -14.540 -3.000 -10.105 1.00 0.00 C ATOM 1031 O ILE A 85 -13.677 -2.812 -10.963 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.625 -2.577 -7.808 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.192 -2.465 -8.332 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.927 -4.005 -7.382 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.467 -1.233 -7.841 1.00 0.00 C ATOM 0 H ILE A 85 -16.102 -2.548 -7.449 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.381 -1.077 -9.159 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.724 -1.932 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.633 -3.351 -8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.211 -2.456 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.204 -4.321 -6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.932 -4.055 -6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.862 -4.664 -8.247 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.457 -1.217 -8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.004 -0.341 -8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.416 -1.250 -6.752 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.440 -3.976 -10.187 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.462 -4.903 -11.314 1.00 0.00 C ATOM 1049 C HIS A 86 -16.290 -4.342 -12.468 1.00 0.00 C ATOM 1050 O HIS A 86 -16.066 -4.685 -13.629 1.00 0.00 O ATOM 1051 CB HIS A 86 -16.030 -6.254 -10.878 1.00 0.00 C ATOM 1052 CG HIS A 86 -15.097 -7.046 -10.015 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -14.371 -8.122 -10.480 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.771 -6.913 -8.706 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.641 -8.617 -9.497 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.865 -7.901 -8.411 1.00 0.00 N ATOM 0 H HIS A 86 -16.163 -4.145 -9.487 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.437 -5.039 -11.658 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.961 -6.089 -10.336 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.276 -6.839 -11.765 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.153 -6.169 -8.023 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.974 -9.464 -9.569 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.434 -8.057 -7.500 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.251 -3.483 -12.141 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.116 -2.880 -13.149 1.00 0.00 C ATOM 1067 C GLN A 87 -17.414 -1.716 -13.842 1.00 0.00 C ATOM 1068 O GLN A 87 -17.414 -1.617 -15.069 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.430 -2.418 -12.501 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.546 -0.913 -12.293 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.890 -0.504 -11.721 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.521 0.438 -12.200 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.336 -1.213 -10.691 1.00 0.00 N ATOM 0 H GLN A 87 -17.450 -3.189 -11.185 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.344 -3.629 -13.908 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -20.262 -2.750 -13.123 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.536 -2.913 -11.536 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.754 -0.581 -11.622 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.391 -0.406 -13.245 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.780 -1.986 -10.325 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.234 -0.985 -10.265 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.822 -0.837 -13.044 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.120 0.327 -13.575 1.00 0.00 C ATOM 1084 C ASN A 88 -14.730 -0.055 -14.074 1.00 0.00 C ATOM 1085 O ASN A 88 -13.828 -0.329 -13.282 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.013 1.417 -12.505 1.00 0.00 C ATOM 1087 CG ASN A 88 -16.846 2.639 -12.840 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -17.155 2.893 -14.004 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -17.213 3.404 -11.818 1.00 0.00 N ATOM 0 H ASN A 88 -16.813 -0.907 -12.026 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.693 0.712 -14.418 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.335 1.013 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.969 1.711 -12.393 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.774 4.240 -11.982 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.934 3.155 -10.869 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.566 -0.070 -15.393 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.285 -0.418 -15.978 1.00 0.00 C ATOM 1098 C GLY A 89 -12.180 0.528 -15.554 1.00 0.00 C ATOM 1099 O GLY A 89 -11.068 0.096 -15.250 1.00 0.00 O ATOM 0 H GLY A 89 -15.298 0.153 -16.067 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.020 -1.435 -15.688 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.370 -0.409 -17.065 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.486 1.821 -15.533 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.508 2.830 -15.141 1.00 0.00 C ATOM 1105 C LYS A 90 -11.007 2.575 -13.724 1.00 0.00 C ATOM 1106 O LYS A 90 -9.828 2.290 -13.516 1.00 0.00 O ATOM 1107 CB LYS A 90 -12.118 4.229 -15.236 1.00 0.00 C ATOM 1108 CG LYS A 90 -11.091 5.347 -15.137 1.00 0.00 C ATOM 1109 CD LYS A 90 -11.309 6.406 -16.206 1.00 0.00 C ATOM 1110 CE LYS A 90 -9.994 6.857 -16.821 1.00 0.00 C ATOM 1111 NZ LYS A 90 -10.200 7.875 -17.889 1.00 0.00 N ATOM 0 H LYS A 90 -13.402 2.195 -15.782 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.662 2.766 -15.825 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.653 4.320 -16.182 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.854 4.351 -14.441 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.148 5.808 -14.151 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.089 4.930 -15.236 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.959 6.009 -16.986 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.821 7.264 -15.770 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.353 7.272 -16.043 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.473 5.995 -17.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.279 8.156 -18.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.791 7.472 -18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.674 8.709 -17.487 1.00 0.00 H new ATOM 1125 N LEU A 91 -11.909 2.678 -12.752 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.553 2.457 -11.356 1.00 0.00 C ATOM 1127 C LEU A 91 -10.888 1.100 -11.169 1.00 0.00 C ATOM 1128 O LEU A 91 -9.920 0.971 -10.419 1.00 0.00 O ATOM 1129 CB LEU A 91 -12.791 2.553 -10.470 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.082 3.950 -9.932 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.388 3.954 -9.157 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -11.932 4.437 -9.059 1.00 0.00 C ATOM 0 H LEU A 91 -12.890 2.913 -12.906 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.844 3.232 -11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.655 2.210 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.672 1.871 -9.628 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.181 4.635 -10.774 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.583 4.957 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.202 3.649 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.317 3.258 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.157 5.435 -8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.799 3.755 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.016 4.469 -9.649 1.00 0.00 H new ATOM 1144 N SER A 92 -11.410 0.091 -11.860 1.00 0.00 N ATOM 1145 CA SER A 92 -10.859 -1.259 -11.775 1.00 0.00 C ATOM 1146 C SER A 92 -9.343 -1.221 -11.924 1.00 0.00 C ATOM 1147 O SER A 92 -8.617 -1.923 -11.220 1.00 0.00 O ATOM 1148 CB SER A 92 -11.470 -2.153 -12.855 1.00 0.00 C ATOM 1149 OG SER A 92 -11.035 -3.494 -12.713 1.00 0.00 O ATOM 0 H SER A 92 -12.212 0.181 -12.484 1.00 0.00 H new ATOM 0 HA SER A 92 -11.106 -1.673 -10.797 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.557 -2.112 -12.793 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.192 -1.780 -13.841 1.00 0.00 H new ATOM 0 HG SER A 92 -11.441 -4.046 -13.414 1.00 0.00 H new ATOM 1155 N ALA A 93 -8.876 -0.377 -12.837 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.449 -0.221 -13.076 1.00 0.00 C ATOM 1157 C ALA A 93 -6.812 0.605 -11.966 1.00 0.00 C ATOM 1158 O ALA A 93 -5.642 0.419 -11.629 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.208 0.432 -14.429 1.00 0.00 C ATOM 0 H ALA A 93 -9.468 0.210 -13.424 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.987 -1.208 -13.080 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.136 0.542 -14.594 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.634 -0.192 -15.215 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.681 1.414 -14.449 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.597 1.516 -11.396 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.125 2.376 -10.316 1.00 0.00 C ATOM 1167 C ASP A 94 -6.427 1.558 -9.234 1.00 0.00 C ATOM 1168 O ASP A 94 -5.207 1.614 -9.091 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.294 3.152 -9.706 1.00 0.00 C ATOM 1170 CG ASP A 94 -7.976 4.622 -9.516 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -7.014 4.931 -8.781 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -8.688 5.465 -10.101 1.00 0.00 O ATOM 0 H ASP A 94 -8.567 1.677 -11.666 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.407 3.081 -10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.168 3.052 -10.350 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.555 2.712 -8.743 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.212 0.795 -8.480 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.679 -0.039 -7.411 1.00 0.00 C ATOM 1179 C PHE A 95 -5.662 -1.040 -7.957 1.00 0.00 C ATOM 1180 O PHE A 95 -4.626 -1.286 -7.340 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.829 -0.761 -6.697 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.578 -2.219 -6.422 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.839 -3.168 -7.396 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.085 -2.638 -5.196 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.613 -4.509 -7.154 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.857 -3.977 -4.949 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.121 -4.914 -5.928 1.00 0.00 C ATOM 0 H PHE A 95 -8.224 0.738 -8.591 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.162 0.597 -6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.027 -0.255 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.730 -0.669 -7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.224 -2.856 -8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.877 -1.910 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.820 -5.240 -7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.472 -4.291 -3.990 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.943 -5.962 -5.736 1.00 0.00 H new ATOM 1197 N LYS A 96 -5.970 -1.619 -9.115 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.086 -2.599 -9.742 1.00 0.00 C ATOM 1199 C LYS A 96 -3.665 -2.061 -9.865 1.00 0.00 C ATOM 1200 O LYS A 96 -2.696 -2.785 -9.636 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.618 -2.984 -11.123 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.746 -4.001 -11.076 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.465 -4.093 -12.411 1.00 0.00 C ATOM 1204 CE LYS A 96 -6.781 -5.078 -13.345 1.00 0.00 C ATOM 1205 NZ LYS A 96 -7.468 -5.163 -14.663 1.00 0.00 N ATOM 0 H LYS A 96 -6.824 -1.427 -9.638 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.062 -3.484 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.970 -2.086 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.800 -3.388 -11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.345 -4.979 -10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.456 -3.723 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.498 -4.401 -12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.496 -3.108 -12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.744 -4.776 -13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.762 -6.064 -12.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.971 -5.845 -15.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.450 -5.476 -14.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.464 -4.228 -15.118 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.547 -0.788 -10.223 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.241 -0.154 -10.371 1.00 0.00 C ATOM 1221 C ASN A 97 -1.588 0.053 -9.010 1.00 0.00 C ATOM 1222 O ASN A 97 -0.371 -0.072 -8.868 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.378 1.190 -11.089 1.00 0.00 C ATOM 1224 CG ASN A 97 -2.638 1.030 -12.574 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -3.556 0.320 -12.983 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -1.826 1.691 -13.392 1.00 0.00 N ATOM 0 H ASN A 97 -4.338 -0.174 -10.416 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.610 -0.813 -10.968 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.193 1.757 -10.640 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.467 1.771 -10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.951 1.621 -14.402 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.077 2.269 -13.010 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.405 0.370 -8.013 1.00 0.00 N ATOM 1234 CA LEU A 98 -1.910 0.593 -6.662 1.00 0.00 C ATOM 1235 C LEU A 98 -1.444 -0.715 -6.038 1.00 0.00 C ATOM 1236 O LEU A 98 -0.298 -0.833 -5.608 1.00 0.00 O ATOM 1237 CB LEU A 98 -2.998 1.231 -5.800 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.752 2.381 -6.468 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.058 2.661 -5.741 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -2.886 3.628 -6.522 1.00 0.00 C ATOM 0 H LEU A 98 -3.414 0.478 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.059 1.272 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.715 0.461 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.544 1.599 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.990 2.087 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.579 3.483 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.685 1.769 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.848 2.932 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.440 4.435 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.613 3.926 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.982 3.419 -7.094 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.335 -1.702 -5.998 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.998 -3.005 -5.433 1.00 0.00 C ATOM 1254 C LYS A 99 -0.769 -3.580 -6.126 1.00 0.00 C ATOM 1255 O LYS A 99 0.110 -4.153 -5.483 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.176 -3.976 -5.559 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.917 -3.875 -6.884 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.094 -5.238 -7.535 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.165 -5.414 -8.724 1.00 0.00 C ATOM 1260 NZ LYS A 99 -2.669 -6.813 -8.841 1.00 0.00 N ATOM 0 H LYS A 99 -3.290 -1.625 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.777 -2.869 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.809 -4.995 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.878 -3.789 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.894 -3.420 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.368 -3.218 -7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.899 -6.020 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.128 -5.355 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.690 -5.138 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.317 -4.736 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.039 -6.890 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.146 -7.069 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.476 -7.458 -8.961 1.00 0.00 H new ATOM 1274 N THR A 100 -0.707 -3.402 -7.441 1.00 0.00 N ATOM 1275 CA THR A 100 0.425 -3.881 -8.222 1.00 0.00 C ATOM 1276 C THR A 100 1.693 -3.167 -7.772 1.00 0.00 C ATOM 1277 O THR A 100 2.686 -3.802 -7.427 1.00 0.00 O ATOM 1278 CB THR A 100 0.168 -3.650 -9.717 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.450 -4.783 -10.298 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.419 -3.353 -10.516 1.00 0.00 C ATOM 0 H THR A 100 -1.427 -2.930 -7.987 1.00 0.00 H new ATOM 0 HA THR A 100 0.552 -4.952 -8.061 1.00 0.00 H new ATOM 0 HB THR A 100 -0.479 -2.774 -9.759 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.608 -4.617 -11.251 1.00 0.00 H new ATOM 0 HG21 THR A 100 1.155 -3.202 -11.563 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.893 -2.452 -10.128 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.111 -4.191 -10.434 1.00 0.00 H new ATOM 1288 N LYS A 101 1.648 -1.842 -7.760 1.00 0.00 N ATOM 1289 CA LYS A 101 2.792 -1.057 -7.329 1.00 0.00 C ATOM 1290 C LYS A 101 3.153 -1.420 -5.896 1.00 0.00 C ATOM 1291 O LYS A 101 4.317 -1.647 -5.574 1.00 0.00 O ATOM 1292 CB LYS A 101 2.482 0.437 -7.428 1.00 0.00 C ATOM 1293 CG LYS A 101 2.996 1.082 -8.704 1.00 0.00 C ATOM 1294 CD LYS A 101 2.929 2.598 -8.623 1.00 0.00 C ATOM 1295 CE LYS A 101 4.014 3.155 -7.715 1.00 0.00 C ATOM 1296 NZ LYS A 101 4.141 4.633 -7.843 1.00 0.00 N ATOM 0 H LYS A 101 0.836 -1.293 -8.042 1.00 0.00 H new ATOM 0 HA LYS A 101 3.637 -1.279 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.403 0.580 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.920 0.948 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.025 0.770 -8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.406 0.735 -9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.035 3.022 -9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.950 2.901 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.788 2.898 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.967 2.686 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.891 4.973 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.382 4.877 -8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.239 5.083 -7.586 1.00 0.00 H new ATOM 1310 N TYR A 102 2.133 -1.483 -5.045 1.00 0.00 N ATOM 1311 CA TYR A 102 2.315 -1.823 -3.638 1.00 0.00 C ATOM 1312 C TYR A 102 3.040 -3.159 -3.483 1.00 0.00 C ATOM 1313 O TYR A 102 3.894 -3.312 -2.610 1.00 0.00 O ATOM 1314 CB TYR A 102 0.954 -1.864 -2.932 1.00 0.00 C ATOM 1315 CG TYR A 102 0.920 -2.728 -1.688 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.744 -2.456 -0.603 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.061 -3.815 -1.604 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.712 -3.245 0.532 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.023 -4.608 -0.473 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.849 -4.318 0.590 1.00 0.00 C ATOM 1321 OH TYR A 102 0.815 -5.107 1.716 1.00 0.00 O ATOM 0 H TYR A 102 1.165 -1.301 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 102 2.934 -1.054 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.668 -0.848 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.205 -2.230 -3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.420 -1.615 -0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.588 -4.045 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.359 -3.022 1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.651 -5.451 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 102 0.153 -5.820 1.596 1.00 0.00 H new ATOM 1331 N GLN A 103 2.702 -4.119 -4.337 1.00 0.00 N ATOM 1332 CA GLN A 103 3.328 -5.431 -4.293 1.00 0.00 C ATOM 1333 C GLN A 103 4.821 -5.294 -4.537 1.00 0.00 C ATOM 1334 O GLN A 103 5.648 -5.813 -3.789 1.00 0.00 O ATOM 1335 CB GLN A 103 2.665 -6.341 -5.336 1.00 0.00 C ATOM 1336 CG GLN A 103 3.464 -6.562 -6.612 1.00 0.00 C ATOM 1337 CD GLN A 103 3.002 -7.782 -7.383 1.00 0.00 C ATOM 1338 OE1 GLN A 103 3.656 -8.825 -7.368 1.00 0.00 O ATOM 1339 NE2 GLN A 103 1.869 -7.658 -8.065 1.00 0.00 N ATOM 0 H GLN A 103 1.998 -4.011 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 103 3.192 -5.882 -3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.471 -7.310 -4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 103 1.698 -5.915 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.378 -5.681 -7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.519 -6.673 -6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.359 -6.775 -8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.509 -8.446 -8.604 1.00 0.00 H new ATOM 1348 N SER A 104 5.147 -4.573 -5.592 1.00 0.00 N ATOM 1349 CA SER A 104 6.537 -4.330 -5.955 1.00 0.00 C ATOM 1350 C SER A 104 7.297 -3.722 -4.780 1.00 0.00 C ATOM 1351 O SER A 104 8.456 -4.054 -4.533 1.00 0.00 O ATOM 1352 CB SER A 104 6.611 -3.379 -7.145 1.00 0.00 C ATOM 1353 OG SER A 104 5.633 -3.699 -8.120 1.00 0.00 O ATOM 0 H SER A 104 4.467 -4.142 -6.218 1.00 0.00 H new ATOM 0 HA SER A 104 6.991 -5.284 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.466 -2.354 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.604 -3.429 -7.592 1.00 0.00 H new ATOM 0 HG SER A 104 5.702 -3.073 -8.871 1.00 0.00 H new ATOM 1359 N LEU A 105 6.628 -2.823 -4.065 1.00 0.00 N ATOM 1360 CA LEU A 105 7.224 -2.151 -2.920 1.00 0.00 C ATOM 1361 C LEU A 105 7.579 -3.142 -1.823 1.00 0.00 C ATOM 1362 O LEU A 105 8.715 -3.177 -1.351 1.00 0.00 O ATOM 1363 CB LEU A 105 6.259 -1.100 -2.370 1.00 0.00 C ATOM 1364 CG LEU A 105 5.759 -0.083 -3.393 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.621 0.746 -2.815 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.900 0.810 -3.851 1.00 0.00 C ATOM 0 H LEU A 105 5.667 -2.543 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 105 8.141 -1.667 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.398 -1.610 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.753 -0.564 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 105 5.376 -0.623 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.279 1.464 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.796 0.089 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.972 1.279 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.528 1.530 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.312 1.342 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.679 0.200 -4.308 1.00 0.00 H new ATOM 1378 N GLN A 106 6.602 -3.942 -1.416 1.00 0.00 N ATOM 1379 CA GLN A 106 6.829 -4.928 -0.361 1.00 0.00 C ATOM 1380 C GLN A 106 7.983 -5.855 -0.735 1.00 0.00 C ATOM 1381 O GLN A 106 8.807 -6.214 0.107 1.00 0.00 O ATOM 1382 CB GLN A 106 5.572 -5.767 -0.066 1.00 0.00 C ATOM 1383 CG GLN A 106 4.387 -5.512 -0.986 1.00 0.00 C ATOM 1384 CD GLN A 106 3.391 -6.656 -0.973 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.376 -7.492 -1.877 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.555 -6.701 0.056 1.00 0.00 N ATOM 0 H GLN A 106 5.654 -3.931 -1.793 1.00 0.00 H new ATOM 0 HA GLN A 106 7.080 -4.372 0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.838 -6.822 -0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.261 -5.576 0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.885 -4.593 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.746 -5.358 -2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.602 -5.987 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.865 -7.449 0.120 1.00 0.00 H new ATOM 1395 N GLN A 107 8.028 -6.242 -2.005 1.00 0.00 N ATOM 1396 CA GLN A 107 9.070 -7.133 -2.504 1.00 0.00 C ATOM 1397 C GLN A 107 10.432 -6.444 -2.532 1.00 0.00 C ATOM 1398 O GLN A 107 11.423 -6.995 -2.053 1.00 0.00 O ATOM 1399 CB GLN A 107 8.718 -7.631 -3.907 1.00 0.00 C ATOM 1400 CG GLN A 107 7.254 -8.009 -4.075 1.00 0.00 C ATOM 1401 CD GLN A 107 7.066 -9.466 -4.450 1.00 0.00 C ATOM 1402 OE1 GLN A 107 7.899 -10.314 -4.130 1.00 0.00 O ATOM 1403 NE2 GLN A 107 5.967 -9.764 -5.133 1.00 0.00 N ATOM 0 H GLN A 107 7.352 -5.951 -2.711 1.00 0.00 H new ATOM 0 HA GLN A 107 9.130 -7.980 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.969 -6.856 -4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.336 -8.498 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.721 -7.805 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.806 -7.379 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.303 -9.029 -5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.787 -10.728 -5.414 1.00 0.00 H new ATOM 1412 N SER A 108 10.480 -5.242 -3.101 1.00 0.00 N ATOM 1413 CA SER A 108 11.730 -4.493 -3.194 1.00 0.00 C ATOM 1414 C SER A 108 12.294 -4.193 -1.809 1.00 0.00 C ATOM 1415 O SER A 108 13.509 -4.161 -1.613 1.00 0.00 O ATOM 1416 CB SER A 108 11.508 -3.187 -3.959 1.00 0.00 C ATOM 1417 OG SER A 108 12.665 -2.371 -3.921 1.00 0.00 O ATOM 0 H SER A 108 9.671 -4.768 -3.503 1.00 0.00 H new ATOM 0 HA SER A 108 12.451 -5.107 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.249 -3.408 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.665 -2.648 -3.527 1.00 0.00 H new ATOM 0 HG SER A 108 12.498 -1.543 -4.418 1.00 0.00 H new ATOM 1423 N TYR A 109 11.399 -3.969 -0.857 1.00 0.00 N ATOM 1424 CA TYR A 109 11.790 -3.661 0.512 1.00 0.00 C ATOM 1425 C TYR A 109 12.054 -4.934 1.307 1.00 0.00 C ATOM 1426 O TYR A 109 13.045 -5.027 2.031 1.00 0.00 O ATOM 1427 CB TYR A 109 10.697 -2.806 1.164 1.00 0.00 C ATOM 1428 CG TYR A 109 10.216 -3.268 2.526 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.102 -3.492 3.573 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.862 -3.461 2.762 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.652 -3.900 4.812 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.405 -3.867 3.997 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.303 -4.087 5.020 1.00 0.00 C ATOM 1434 OH TYR A 109 8.850 -4.492 6.255 1.00 0.00 O ATOM 0 H TYR A 109 10.391 -3.995 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 109 12.722 -3.097 0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.069 -1.786 1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.841 -2.771 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.160 -3.344 3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.154 -3.290 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.354 -4.072 5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.348 -4.012 4.163 1.00 0.00 H new ATOM 0 HH TYR A 109 9.454 -4.158 6.951 1.00 0.00 H new ATOM 1444 N ASN A 110 11.168 -5.913 1.173 1.00 0.00 N ATOM 1445 CA ASN A 110 11.324 -7.172 1.889 1.00 0.00 C ATOM 1446 C ASN A 110 12.725 -7.734 1.673 1.00 0.00 C ATOM 1447 O ASN A 110 13.370 -8.211 2.607 1.00 0.00 O ATOM 1448 CB ASN A 110 10.271 -8.185 1.437 1.00 0.00 C ATOM 1449 CG ASN A 110 8.965 -8.037 2.192 1.00 0.00 C ATOM 1450 OD1 ASN A 110 8.947 -7.617 3.349 1.00 0.00 O ATOM 1451 ND2 ASN A 110 7.861 -8.384 1.539 1.00 0.00 N ATOM 0 H ASN A 110 10.340 -5.860 0.580 1.00 0.00 H new ATOM 0 HA ASN A 110 11.183 -6.981 2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.087 -8.062 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.657 -9.194 1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.952 -8.307 1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.922 -8.727 0.580 1.00 0.00 H new ATOM 1458 N GLN A 111 13.204 -7.650 0.441 1.00 0.00 N ATOM 1459 CA GLN A 111 14.542 -8.127 0.131 1.00 0.00 C ATOM 1460 C GLN A 111 15.562 -7.254 0.839 1.00 0.00 C ATOM 1461 O GLN A 111 16.388 -7.737 1.612 1.00 0.00 O ATOM 1462 CB GLN A 111 14.807 -8.110 -1.377 1.00 0.00 C ATOM 1463 CG GLN A 111 14.463 -6.800 -2.066 1.00 0.00 C ATOM 1464 CD GLN A 111 14.314 -6.960 -3.566 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.209 -7.146 -4.077 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.431 -6.893 -4.281 1.00 0.00 N ATOM 0 H GLN A 111 12.693 -7.261 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 111 14.627 -9.158 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.860 -8.330 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.233 -8.911 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.535 -6.407 -1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.242 -6.067 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.325 -6.737 -3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.394 -6.997 -5.295 1.00 0.00 H new ATOM 1475 N ARG A 112 15.474 -5.957 0.573 1.00 0.00 N ATOM 1476 CA ARG A 112 16.364 -4.972 1.177 1.00 0.00 C ATOM 1477 C ARG A 112 16.439 -5.160 2.687 1.00 0.00 C ATOM 1478 O ARG A 112 17.511 -5.064 3.283 1.00 0.00 O ATOM 1479 CB ARG A 112 15.875 -3.558 0.859 1.00 0.00 C ATOM 1480 CG ARG A 112 16.606 -2.900 -0.298 1.00 0.00 C ATOM 1481 CD ARG A 112 16.063 -1.506 -0.569 1.00 0.00 C ATOM 1482 NE ARG A 112 17.084 -0.615 -1.117 1.00 0.00 N ATOM 1483 CZ ARG A 112 17.997 0.010 -0.378 1.00 0.00 C ATOM 1484 NH1 ARG A 112 18.025 -0.157 0.938 1.00 0.00 N ATOM 1485 NH2 ARG A 112 18.887 0.805 -0.958 1.00 0.00 N ATOM 0 H ARG A 112 14.786 -5.558 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 112 17.361 -5.114 0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.810 -3.595 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 112 15.988 -2.937 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.671 -2.841 -0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.503 -3.514 -1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.228 -1.572 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 112 15.673 -1.083 0.357 1.00 0.00 H new ATOM 0 HE ARG A 112 17.097 -0.463 -2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 112 17.344 -0.768 1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 112 18.728 0.325 1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 112 18.871 0.937 -1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 112 19.587 1.285 -0.392 1.00 0.00 H new ATOM 1499 N LYS A 113 15.290 -5.425 3.302 1.00 0.00 N ATOM 1500 CA LYS A 113 15.234 -5.622 4.746 1.00 0.00 C ATOM 1501 C LYS A 113 16.067 -6.835 5.151 1.00 0.00 C ATOM 1502 O LYS A 113 16.614 -6.886 6.253 1.00 0.00 O ATOM 1503 CB LYS A 113 13.776 -5.756 5.223 1.00 0.00 C ATOM 1504 CG LYS A 113 13.181 -7.153 5.106 1.00 0.00 C ATOM 1505 CD LYS A 113 12.305 -7.481 6.304 1.00 0.00 C ATOM 1506 CE LYS A 113 10.956 -6.787 6.210 1.00 0.00 C ATOM 1507 NZ LYS A 113 9.861 -7.621 6.777 1.00 0.00 N ATOM 0 H LYS A 113 14.391 -5.508 2.827 1.00 0.00 H new ATOM 0 HA LYS A 113 15.660 -4.745 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.721 -5.441 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.158 -5.066 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.592 -7.225 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.983 -7.887 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.158 -8.559 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.810 -7.176 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.000 -5.836 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.736 -6.560 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.943 -7.261 6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.979 -8.607 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.895 -7.579 7.816 1.00 0.00 H new ATOM 1521 N SER A 114 16.172 -7.802 4.244 1.00 0.00 N ATOM 1522 CA SER A 114 16.954 -9.007 4.497 1.00 0.00 C ATOM 1523 C SER A 114 18.441 -8.742 4.268 1.00 0.00 C ATOM 1524 O SER A 114 19.298 -9.428 4.825 1.00 0.00 O ATOM 1525 CB SER A 114 16.483 -10.144 3.590 1.00 0.00 C ATOM 1526 OG SER A 114 16.711 -11.406 4.193 1.00 0.00 O ATOM 0 H SER A 114 15.725 -7.774 3.327 1.00 0.00 H new ATOM 0 HA SER A 114 16.807 -9.297 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.421 -10.026 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.008 -10.093 2.636 1.00 0.00 H new ATOM 0 HG SER A 114 16.400 -12.116 3.594 1.00 0.00 H new