USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 73 SER OG : rot 180:sc= 1.02 USER MOD Set 1.2: B 91 SER OG : rot -70:sc= 1.23 USER MOD Set 2.1: B 90 THR OG1 : rot -94:sc= 1.14 USER MOD Set 2.2: B 110 ASN : amide:sc= -0.799! C(o=0.34!,f=-4.9!) USER MOD Set 3.1: B 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 83 GLN : amide:sc= 0.333 K(o=0.33,f=-4.3!) USER MOD Set 4.1: B 16 HIS : no HE2:sc= -1.1 K(o=-4.4,f=-8.6!) USER MOD Set 4.2: B 108 CYS SG : rot 180:sc= -3.29! USER MOD Set 5.1: A 70 GLN : amide:sc= -0.765 K(o=-0.77,f=-5.9!) USER MOD Set 5.2: A 109 SER OG : rot 180:sc=-0.00778 USER MOD Set 6.1: A 92 ASN : amide:sc= -0.207 K(o=-0.041,f=-8.4!) USER MOD Set 6.2: A 99 GLN : amide:sc= 0.166 K(o=-0.041,f=-4.7!) USER MOD Set 7.1: A 65 GLN : amide:sc= 0.841 K(o=2.6,f=-4.2) USER MOD Set 7.2: A 86 GLN :FLIP amide:sc= -0.0197 F(o=1.3!,f=2.6) USER MOD Set 7.3: A 88 THR OG1 : rot 75:sc= 0.909 USER MOD Set 7.4: B 70 GLN : amide:sc= 0.914 K(o=2.6,f=-4.2!) USER MOD Set 8.1: A 10 SER OG : rot -139:sc= 1.3 USER MOD Set 8.2: A 12 HIS : no HE2:sc= 1.66 K(o=7.3,f=-1.9!) USER MOD Set 8.3: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.4: A 45 TYR OH : rot -112:sc= 0.0205 USER MOD Set 8.5: A 53 MET CE :methyl 171:sc= 0 (180deg=-0.127) USER MOD Set 8.6: A 71 TYR OH : rot -131:sc= 1.17 USER MOD Set 8.7: A 85 THR OG1 : rot -82:sc= 2.3 USER MOD Set 8.8: A 103 CYS SG : rot 41:sc= -0.204 USER MOD Set 8.9: A 105 ASN : amide:sc= 1.02 K(o=7.3,f=3.8) USER MOD Set 9.1: A 59 ASN : amide:sc= 0.323 K(o=0.68,f=-4.4!) USER MOD Set 9.2: A 63 LYS NZ :NH3+ 165:sc= 0.358 (180deg=-0.0727) USER MOD Set10.1: A 56 SER OG : rot 76:sc= 1.27 USER MOD Set10.2: A 68 SER OG : rot 170:sc= -0.0399 USER MOD Set11.1: A 42 TYR OH : rot 180:sc= -0.372 USER MOD Set11.2: A 54 THR OG1 : rot -35:sc= 0.0186 USER MOD Set12.1: A 13 SER OG : rot -136:sc= 2.41 USER MOD Set12.2: A 19 THR OG1 : rot -173:sc= 1.27 USER MOD Set12.3: A 100 CYS SG : rot 137:sc= 0.768 USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.13) USER MOD Single : A 7 THR OG1 : rot 64:sc= 0.863 USER MOD Single : A 14 MET CE :methyl 162:sc= -0.108 (180deg=-0.604) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.11) USER MOD Single : A 20 TYR OH : rot -30:sc= 0 USER MOD Single : A 21 CYS SG : rot -107:sc= -0.426 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0756 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.101 F(o=-0.7,f=-0.1) USER MOD Single : A 40 SER OG : rot 77:sc= 1.4 USER MOD Single : A 46 HIS : +bothHN:sc= -3.73! C(o=-3.7!,f=-11!) USER MOD Single : A 50 SER OG : rot -70:sc= 1.24 USER MOD Single : A 52 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.4!) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0.747) USER MOD Single : A 57 HIS : no HD1:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 77:sc= 0.635 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 176:sc= 0 (180deg=-0.0104) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.088 X(o=-0.088,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 102 MET CE :methyl -119:sc= -0.229 (180deg=-0.342) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.0485 K(o=-0.048,f=-6!) USER MOD Single : B 10 THR OG1 : rot 77:sc= 0.091 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= -0.974 K(o=-0.97,f=-12!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= 0.522 K(o=0.52,f=-8.6!) USER MOD Single : B 29 CYS SG : rot 86:sc= 1.27 USER MOD Single : B 32 THR OG1 : rot -120:sc=-0.00233 USER MOD Single : B 36 GLN : amide:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : B 38 GLN : amide:sc= 0.797 K(o=0.8,f=-7.1!) USER MOD Single : B 43 LYS NZ :NH3+ 156:sc= 1.28 (180deg=0.483) USER MOD Single : B 44 ASN : amide:sc=-0.00193 X(o=-0.0019,f=-0.5) USER MOD Single : B 49 CYS SG : rot 78:sc= -0.787! USER MOD Single : B 50 HIS : no HE2:sc= -0.597! C(o=-0.6!,f=-5.8!) USER MOD Single : B 54 GLN : amide:sc= -0.487 K(o=-0.49,f=-2.9!) USER MOD Single : B 55 GLN : amide:sc= -0.583 X(o=-0.58,f=-1) USER MOD Single : B 60 SER OG : rot 86:sc= 1.2 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.0729 F(o=-0.65,f=-0.073) USER MOD Single : B 63 GLN : amide:sc= 0.0122 K(o=0.012,f=-1.1) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.13) USER MOD Single : B 75 MET CE :methyl -157:sc= -0.562 (180deg=-1.59) USER MOD Single : B 80 SER OG : rot -177:sc= 0.695 USER MOD Single : B 81 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.16) USER MOD Single : B 82 ASN : amide:sc= 1.19 K(o=1.2,f=-0.13) USER MOD Single : B 88 MET CE :methyl 152:sc= 0 (180deg=-1.02) USER MOD Single : B 92 SER OG : rot 130:sc= -0.179 USER MOD Single : B 94 THR OG1 : rot -136:sc= 0.591 USER MOD Single : B 96 GLN : amide:sc= -3.29! C(o=-3.3!,f=-5.1!) USER MOD Single : B 97 ASN : amide:sc= -2.21 K(o=-2.2,f=-6!) USER MOD Single : B 99 TYR OH : rot 117:sc= 0.932 USER MOD Single : B 100 SER OG : rot 84:sc= 0.972 USER MOD Single : B 105 TYR OH : rot 110:sc= 0.887 USER MOD Single : B 109 THR OG1 : rot 77:sc= 0.435 USER MOD Single : B 111 THR OG1 : rot -120:sc= 0.935 USER MOD Single : B 112 ASN : amide:sc= 0.58! C(o=0.58!,f=-6.2!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -9.237 -13.169 -2.443 1.00 0.00 N ATOM 2 CA LYS A 6 -8.573 -12.044 -3.130 1.00 0.00 C ATOM 3 C LYS A 6 -8.603 -10.809 -2.241 1.00 0.00 C ATOM 4 O LYS A 6 -9.656 -10.423 -1.740 1.00 0.00 O ATOM 5 CB LYS A 6 -9.276 -11.755 -4.460 1.00 0.00 C ATOM 6 CG LYS A 6 -8.637 -10.639 -5.279 1.00 0.00 C ATOM 7 CD LYS A 6 -9.334 -10.468 -6.623 1.00 0.00 C ATOM 8 CE LYS A 6 -9.160 -11.703 -7.491 1.00 0.00 C ATOM 9 NZ LYS A 6 -9.982 -11.649 -8.728 1.00 0.00 N ATOM 0 HA LYS A 6 -7.536 -12.310 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.287 -12.667 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.315 -11.493 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.684 -9.704 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.582 -10.862 -5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.396 -10.278 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.928 -9.597 -7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.109 -11.808 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.432 -12.588 -6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.728 -12.444 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.990 -11.712 -8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.804 -10.753 -9.224 1.00 0.00 H new ATOM 25 N THR A 7 -7.445 -10.216 -2.020 1.00 0.00 N ATOM 26 CA THR A 7 -7.350 -9.023 -1.197 1.00 0.00 C ATOM 27 C THR A 7 -7.098 -7.794 -2.073 1.00 0.00 C ATOM 28 O THR A 7 -6.463 -7.898 -3.125 1.00 0.00 O ATOM 29 CB THR A 7 -6.227 -9.175 -0.155 1.00 0.00 C ATOM 30 OG1 THR A 7 -5.912 -10.564 0.011 1.00 0.00 O ATOM 31 CG2 THR A 7 -6.637 -8.590 1.189 1.00 0.00 C ATOM 0 H THR A 7 -6.555 -10.541 -2.399 1.00 0.00 H new ATOM 0 HA THR A 7 -8.295 -8.890 -0.670 1.00 0.00 H new ATOM 0 HB THR A 7 -5.354 -8.631 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.549 -10.919 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.823 -8.713 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.860 -7.529 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.523 -9.108 1.556 1.00 0.00 H new ATOM 39 N PHE A 8 -7.601 -6.642 -1.652 1.00 0.00 N ATOM 40 CA PHE A 8 -7.437 -5.410 -2.417 1.00 0.00 C ATOM 41 C PHE A 8 -6.719 -4.340 -1.593 1.00 0.00 C ATOM 42 O PHE A 8 -7.098 -4.057 -0.457 1.00 0.00 O ATOM 43 CB PHE A 8 -8.810 -4.903 -2.880 1.00 0.00 C ATOM 44 CG PHE A 8 -8.798 -3.498 -3.411 1.00 0.00 C ATOM 45 CD1 PHE A 8 -8.117 -3.187 -4.575 1.00 0.00 C ATOM 46 CD2 PHE A 8 -9.467 -2.488 -2.741 1.00 0.00 C ATOM 47 CE1 PHE A 8 -8.103 -1.893 -5.058 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.458 -1.194 -3.220 1.00 0.00 C ATOM 49 CZ PHE A 8 -8.774 -0.896 -4.379 1.00 0.00 C ATOM 0 H PHE A 8 -8.127 -6.533 -0.785 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.821 -5.623 -3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.189 -5.569 -3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.507 -4.958 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.591 -3.964 -5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.003 -2.716 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.567 -1.661 -5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.986 -0.416 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.763 0.116 -4.755 1.00 0.00 H new ATOM 59 N LEU A 9 -5.684 -3.748 -2.172 1.00 0.00 N ATOM 60 CA LEU A 9 -4.922 -2.708 -1.496 1.00 0.00 C ATOM 61 C LEU A 9 -5.355 -1.331 -1.996 1.00 0.00 C ATOM 62 O LEU A 9 -5.516 -1.116 -3.198 1.00 0.00 O ATOM 63 CB LEU A 9 -3.420 -2.919 -1.731 1.00 0.00 C ATOM 64 CG LEU A 9 -2.471 -2.155 -0.791 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.174 -0.763 -1.331 1.00 0.00 C ATOM 66 CD2 LEU A 9 -3.048 -2.070 0.619 1.00 0.00 C ATOM 0 H LEU A 9 -5.352 -3.971 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.117 -2.764 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.206 -3.984 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.190 -2.632 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.534 -2.710 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.501 -0.244 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.704 -0.846 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.104 -0.202 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.357 -1.525 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.005 -1.549 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.195 -3.076 1.013 1.00 0.00 H new ATOM 78 N SER A 10 -5.559 -0.405 -1.075 1.00 0.00 N ATOM 79 CA SER A 10 -5.970 0.938 -1.436 1.00 0.00 C ATOM 80 C SER A 10 -5.279 1.968 -0.549 1.00 0.00 C ATOM 81 O SER A 10 -5.273 1.836 0.674 1.00 0.00 O ATOM 82 CB SER A 10 -7.489 1.062 -1.303 1.00 0.00 C ATOM 83 OG SER A 10 -7.984 2.163 -2.044 1.00 0.00 O ATOM 0 H SER A 10 -5.447 -0.560 -0.073 1.00 0.00 H new ATOM 0 HA SER A 10 -5.681 1.129 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.963 0.144 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.756 1.179 -0.253 1.00 0.00 H new ATOM 0 HG SER A 10 -8.672 2.626 -1.522 1.00 0.00 H new ATOM 89 N ARG A 11 -4.687 2.981 -1.165 1.00 0.00 N ATOM 90 CA ARG A 11 -4.015 4.034 -0.418 1.00 0.00 C ATOM 91 C ARG A 11 -4.897 5.271 -0.388 1.00 0.00 C ATOM 92 O ARG A 11 -5.295 5.778 -1.437 1.00 0.00 O ATOM 93 CB ARG A 11 -2.657 4.377 -1.041 1.00 0.00 C ATOM 94 CG ARG A 11 -1.728 3.185 -1.195 1.00 0.00 C ATOM 95 CD ARG A 11 -0.274 3.623 -1.288 1.00 0.00 C ATOM 96 NE ARG A 11 0.355 3.704 0.031 1.00 0.00 N ATOM 97 CZ ARG A 11 1.138 4.707 0.435 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.416 5.717 -0.383 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.651 4.687 1.660 1.00 0.00 N ATOM 0 H ARG A 11 -4.658 3.096 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.839 3.679 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.821 4.825 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.166 5.130 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.853 2.512 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.999 2.624 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.278 2.920 -1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.218 4.595 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 11 0.183 2.942 0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.030 5.730 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.015 6.479 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.446 3.908 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.250 5.450 1.975 1.00 0.00 H new ATOM 113 N HIS A 12 -5.225 5.735 0.806 1.00 0.00 N ATOM 114 CA HIS A 12 -6.072 6.912 0.960 1.00 0.00 C ATOM 115 C HIS A 12 -5.366 7.958 1.805 1.00 0.00 C ATOM 116 O HIS A 12 -4.832 7.644 2.867 1.00 0.00 O ATOM 117 CB HIS A 12 -7.416 6.536 1.594 1.00 0.00 C ATOM 118 CG HIS A 12 -8.274 5.678 0.714 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.411 6.136 0.091 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.148 4.383 0.351 1.00 0.00 C ATOM 121 CE1 HIS A 12 -9.945 5.162 -0.618 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.196 4.084 -0.478 1.00 0.00 N ATOM 0 H HIS A 12 -4.919 5.317 1.685 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.265 7.328 -0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.232 6.011 2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.960 7.448 1.841 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.783 7.083 0.166 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.364 3.707 0.658 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.843 5.234 -1.213 1.00 0.00 H new ATOM 131 N SER A 13 -5.350 9.192 1.330 1.00 0.00 N ATOM 132 CA SER A 13 -4.689 10.271 2.051 1.00 0.00 C ATOM 133 C SER A 13 -5.544 11.539 2.058 1.00 0.00 C ATOM 134 O SER A 13 -6.456 11.688 1.240 1.00 0.00 O ATOM 135 CB SER A 13 -3.325 10.563 1.414 1.00 0.00 C ATOM 136 OG SER A 13 -2.698 9.368 0.972 1.00 0.00 O ATOM 0 H SER A 13 -5.785 9.473 0.451 1.00 0.00 H new ATOM 0 HA SER A 13 -4.548 9.953 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.452 11.243 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.684 11.067 2.137 1.00 0.00 H new ATOM 0 HG SER A 13 -1.750 9.385 1.220 1.00 0.00 H new ATOM 142 N MET A 14 -5.251 12.425 3.012 1.00 0.00 N ATOM 143 CA MET A 14 -5.942 13.710 3.161 1.00 0.00 C ATOM 144 C MET A 14 -7.445 13.541 3.372 1.00 0.00 C ATOM 145 O MET A 14 -7.888 13.181 4.463 1.00 0.00 O ATOM 146 CB MET A 14 -5.672 14.615 1.953 1.00 0.00 C ATOM 147 CG MET A 14 -4.259 15.177 1.915 1.00 0.00 C ATOM 148 SD MET A 14 -3.946 16.187 0.453 1.00 0.00 S ATOM 149 CE MET A 14 -5.164 17.485 0.658 1.00 0.00 C ATOM 0 H MET A 14 -4.522 12.271 3.709 1.00 0.00 H new ATOM 0 HA MET A 14 -5.540 14.183 4.057 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.854 14.050 1.039 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.382 15.442 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.088 15.777 2.809 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.545 14.354 1.942 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.896 18.338 0.034 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.145 17.113 0.362 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.193 17.795 1.703 1.00 0.00 H new ATOM 159 N ASP A 15 -8.222 13.775 2.319 1.00 0.00 N ATOM 160 CA ASP A 15 -9.677 13.668 2.388 1.00 0.00 C ATOM 161 C ASP A 15 -10.135 12.234 2.146 1.00 0.00 C ATOM 162 O ASP A 15 -11.269 11.995 1.727 1.00 0.00 O ATOM 163 CB ASP A 15 -10.329 14.606 1.366 1.00 0.00 C ATOM 164 CG ASP A 15 -9.931 14.292 -0.065 1.00 0.00 C ATOM 165 OD1 ASP A 15 -8.750 14.516 -0.421 1.00 0.00 O ATOM 166 OD2 ASP A 15 -10.795 13.836 -0.846 1.00 0.00 O ATOM 0 H ASP A 15 -7.866 14.042 1.401 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.988 13.961 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.413 14.539 1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.052 15.635 1.597 1.00 0.00 H new ATOM 171 N MET A 16 -9.240 11.287 2.419 1.00 0.00 N ATOM 172 CA MET A 16 -9.520 9.864 2.244 1.00 0.00 C ATOM 173 C MET A 16 -9.741 9.540 0.767 1.00 0.00 C ATOM 174 O MET A 16 -10.430 8.580 0.423 1.00 0.00 O ATOM 175 CB MET A 16 -10.740 9.445 3.082 1.00 0.00 C ATOM 176 CG MET A 16 -10.865 7.940 3.294 1.00 0.00 C ATOM 177 SD MET A 16 -9.542 7.263 4.314 1.00 0.00 S ATOM 178 CE MET A 16 -10.118 5.582 4.544 1.00 0.00 C ATOM 0 H MET A 16 -8.302 11.484 2.767 1.00 0.00 H new ATOM 0 HA MET A 16 -8.657 9.297 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.684 9.934 4.054 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.644 9.808 2.594 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.825 7.723 3.762 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.862 7.440 2.325 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.403 5.033 5.157 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.088 5.595 5.041 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.213 5.094 3.574 1.00 0.00 H new ATOM 188 N LYS A 17 -9.136 10.338 -0.106 1.00 0.00 N ATOM 189 CA LYS A 17 -9.263 10.127 -1.542 1.00 0.00 C ATOM 190 C LYS A 17 -8.361 8.982 -1.983 1.00 0.00 C ATOM 191 O LYS A 17 -7.615 8.427 -1.175 1.00 0.00 O ATOM 192 CB LYS A 17 -8.916 11.402 -2.318 1.00 0.00 C ATOM 193 CG LYS A 17 -7.496 11.903 -2.092 1.00 0.00 C ATOM 194 CD LYS A 17 -6.949 12.607 -3.325 1.00 0.00 C ATOM 195 CE LYS A 17 -7.828 13.774 -3.750 1.00 0.00 C ATOM 196 NZ LYS A 17 -7.690 14.945 -2.847 1.00 0.00 N ATOM 0 H LYS A 17 -8.555 11.134 0.155 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.300 9.870 -1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.059 11.216 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.616 12.188 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.482 12.588 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.850 11.064 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.941 12.968 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.871 11.894 -4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.568 14.070 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.870 13.453 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.186 15.761 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.104 14.719 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.683 15.176 -2.729 1.00 0.00 H new ATOM 210 N PHE A 18 -8.431 8.626 -3.256 1.00 0.00 N ATOM 211 CA PHE A 18 -7.620 7.542 -3.784 1.00 0.00 C ATOM 212 C PHE A 18 -6.251 8.045 -4.220 1.00 0.00 C ATOM 213 O PHE A 18 -6.116 8.704 -5.253 1.00 0.00 O ATOM 214 CB PHE A 18 -8.327 6.866 -4.961 1.00 0.00 C ATOM 215 CG PHE A 18 -9.356 5.848 -4.557 1.00 0.00 C ATOM 216 CD1 PHE A 18 -10.666 6.224 -4.307 1.00 0.00 C ATOM 217 CD2 PHE A 18 -9.014 4.511 -4.432 1.00 0.00 C ATOM 218 CE1 PHE A 18 -11.611 5.287 -3.939 1.00 0.00 C ATOM 219 CE2 PHE A 18 -9.957 3.570 -4.065 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.257 3.958 -3.818 1.00 0.00 C ATOM 0 H PHE A 18 -9.041 9.072 -3.942 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.481 6.811 -2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.808 7.631 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.580 6.382 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.951 7.261 -4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.998 4.200 -4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.628 5.594 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.676 2.531 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.996 3.225 -3.531 1.00 0.00 H new ATOM 230 N THR A 19 -5.248 7.757 -3.408 1.00 0.00 N ATOM 231 CA THR A 19 -3.882 8.139 -3.712 1.00 0.00 C ATOM 232 C THR A 19 -3.240 7.059 -4.575 1.00 0.00 C ATOM 233 O THR A 19 -2.310 7.313 -5.342 1.00 0.00 O ATOM 234 CB THR A 19 -3.069 8.329 -2.419 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.946 8.707 -1.349 1.00 0.00 O ATOM 236 CG2 THR A 19 -1.999 9.391 -2.601 1.00 0.00 C ATOM 0 H THR A 19 -5.357 7.256 -2.526 1.00 0.00 H new ATOM 0 HA THR A 19 -3.891 9.086 -4.252 1.00 0.00 H new ATOM 0 HB THR A 19 -2.580 7.385 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.417 8.927 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.439 9.506 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.321 9.091 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.468 10.340 -2.861 1.00 0.00 H new ATOM 244 N TYR A 20 -3.758 5.845 -4.432 1.00 0.00 N ATOM 245 CA TYR A 20 -3.293 4.696 -5.195 1.00 0.00 C ATOM 246 C TYR A 20 -4.293 3.561 -5.068 1.00 0.00 C ATOM 247 O TYR A 20 -4.787 3.275 -3.974 1.00 0.00 O ATOM 248 CB TYR A 20 -1.912 4.224 -4.729 1.00 0.00 C ATOM 249 CG TYR A 20 -1.439 2.963 -5.429 1.00 0.00 C ATOM 250 CD1 TYR A 20 -1.006 3.001 -6.747 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.447 1.735 -4.778 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.591 1.853 -7.396 1.00 0.00 C ATOM 253 CE2 TYR A 20 -1.037 0.583 -5.422 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.609 0.647 -6.729 1.00 0.00 C ATOM 255 OH TYR A 20 -0.206 -0.500 -7.372 1.00 0.00 O ATOM 0 H TYR A 20 -4.514 5.630 -3.782 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.205 5.001 -6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.187 5.020 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.941 4.045 -3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.993 3.943 -7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.779 1.680 -3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.254 1.901 -8.421 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.052 -0.364 -4.902 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.397 -0.422 -8.330 1.00 0.00 H new ATOM 265 N CYS A 21 -4.587 2.918 -6.181 1.00 0.00 N ATOM 266 CA CYS A 21 -5.527 1.817 -6.191 1.00 0.00 C ATOM 267 C CYS A 21 -4.872 0.572 -6.768 1.00 0.00 C ATOM 268 O CYS A 21 -4.140 0.656 -7.756 1.00 0.00 O ATOM 269 CB CYS A 21 -6.758 2.189 -7.021 1.00 0.00 C ATOM 270 SG CYS A 21 -7.089 3.967 -7.093 1.00 0.00 S ATOM 0 H CYS A 21 -4.186 3.141 -7.092 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.836 1.610 -5.166 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.626 1.813 -8.036 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.630 1.684 -6.605 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.132 4.244 -6.369 1.00 0.00 H new ATOM 276 N ASP A 22 -5.100 -0.568 -6.126 1.00 0.00 N ATOM 277 CA ASP A 22 -4.557 -1.833 -6.605 1.00 0.00 C ATOM 278 C ASP A 22 -5.227 -2.184 -7.928 1.00 0.00 C ATOM 279 O ASP A 22 -6.384 -1.827 -8.147 1.00 0.00 O ATOM 280 CB ASP A 22 -4.793 -2.936 -5.568 1.00 0.00 C ATOM 281 CG ASP A 22 -4.024 -4.205 -5.864 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.453 -4.967 -6.749 1.00 0.00 O ATOM 283 OD2 ASP A 22 -2.979 -4.442 -5.217 1.00 0.00 O ATOM 0 H ASP A 22 -5.656 -0.642 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.482 -1.741 -6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.508 -2.567 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.858 -3.165 -5.526 1.00 0.00 H new ATOM 288 N ASP A 23 -4.520 -2.895 -8.797 1.00 0.00 N ATOM 289 CA ASP A 23 -5.055 -3.250 -10.112 1.00 0.00 C ATOM 290 C ASP A 23 -6.274 -4.168 -10.007 1.00 0.00 C ATOM 291 O ASP A 23 -7.043 -4.301 -10.961 1.00 0.00 O ATOM 292 CB ASP A 23 -3.966 -3.888 -10.989 1.00 0.00 C ATOM 293 CG ASP A 23 -3.794 -5.381 -10.772 1.00 0.00 C ATOM 294 OD1 ASP A 23 -4.550 -6.164 -11.376 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.871 -5.777 -10.026 1.00 0.00 O ATOM 0 H ASP A 23 -3.576 -3.238 -8.619 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.386 -2.326 -10.586 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.207 -3.709 -12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.017 -3.391 -10.791 1.00 0.00 H new ATOM 300 N ARG A 24 -6.467 -4.774 -8.842 1.00 0.00 N ATOM 301 CA ARG A 24 -7.593 -5.674 -8.629 1.00 0.00 C ATOM 302 C ARG A 24 -8.914 -4.914 -8.466 1.00 0.00 C ATOM 303 O ARG A 24 -9.980 -5.522 -8.400 1.00 0.00 O ATOM 304 CB ARG A 24 -7.335 -6.553 -7.406 1.00 0.00 C ATOM 305 CG ARG A 24 -6.316 -7.650 -7.661 1.00 0.00 C ATOM 306 CD ARG A 24 -5.512 -7.963 -6.412 1.00 0.00 C ATOM 307 NE ARG A 24 -4.719 -9.186 -6.559 1.00 0.00 N ATOM 308 CZ ARG A 24 -4.438 -10.012 -5.554 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.879 -9.740 -4.333 1.00 0.00 N ATOM 310 NH2 ARG A 24 -3.709 -11.099 -5.763 1.00 0.00 N ATOM 0 H ARG A 24 -5.859 -4.659 -8.031 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.686 -6.301 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.987 -5.927 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.274 -7.005 -7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.827 -8.551 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.642 -7.344 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.850 -7.127 -6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.188 -8.070 -5.564 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.361 -9.418 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.432 -8.899 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.665 -10.371 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.360 -11.307 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.497 -11.728 -4.988 1.00 0.00 H new ATOM 324 N ILE A 25 -8.854 -3.589 -8.420 1.00 0.00 N ATOM 325 CA ILE A 25 -10.064 -2.788 -8.265 1.00 0.00 C ATOM 326 C ILE A 25 -10.886 -2.776 -9.555 1.00 0.00 C ATOM 327 O ILE A 25 -12.115 -2.675 -9.520 1.00 0.00 O ATOM 328 CB ILE A 25 -9.748 -1.334 -7.837 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.025 -0.611 -7.403 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.062 -0.568 -8.958 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.774 0.747 -6.785 1.00 0.00 C ATOM 0 H ILE A 25 -7.991 -3.050 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.648 -3.257 -7.473 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.065 -1.377 -6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.677 -0.492 -8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.559 -1.234 -6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.853 0.450 -8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.127 -1.064 -9.219 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.714 -0.539 -9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.725 1.199 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.148 0.634 -5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.268 1.388 -7.507 1.00 0.00 H new ATOM 343 N THR A 26 -10.211 -2.921 -10.684 1.00 0.00 N ATOM 344 CA THR A 26 -10.871 -2.908 -11.979 1.00 0.00 C ATOM 345 C THR A 26 -11.694 -4.176 -12.213 1.00 0.00 C ATOM 346 O THR A 26 -12.586 -4.197 -13.064 1.00 0.00 O ATOM 347 CB THR A 26 -9.836 -2.754 -13.102 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.607 -2.260 -12.552 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.335 -1.799 -14.178 1.00 0.00 C ATOM 0 H THR A 26 -9.200 -3.050 -10.729 1.00 0.00 H new ATOM 0 HA THR A 26 -11.552 -2.057 -11.986 1.00 0.00 H new ATOM 0 HB THR A 26 -9.674 -3.730 -13.560 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.944 -2.163 -13.267 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.582 -1.708 -14.961 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.260 -2.185 -14.606 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.520 -0.819 -13.738 1.00 0.00 H new ATOM 357 N GLU A 27 -11.400 -5.225 -11.451 1.00 0.00 N ATOM 358 CA GLU A 27 -12.118 -6.487 -11.582 1.00 0.00 C ATOM 359 C GLU A 27 -13.069 -6.699 -10.407 1.00 0.00 C ATOM 360 O GLU A 27 -13.774 -7.707 -10.337 1.00 0.00 O ATOM 361 CB GLU A 27 -11.130 -7.652 -11.684 1.00 0.00 C ATOM 362 CG GLU A 27 -10.201 -7.782 -10.487 1.00 0.00 C ATOM 363 CD GLU A 27 -9.045 -8.722 -10.750 1.00 0.00 C ATOM 364 OE1 GLU A 27 -9.211 -9.944 -10.554 1.00 0.00 O ATOM 365 OE2 GLU A 27 -7.969 -8.245 -11.160 1.00 0.00 O ATOM 0 H GLU A 27 -10.671 -5.226 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.711 -6.448 -12.496 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.689 -8.580 -11.799 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.530 -7.528 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.812 -6.798 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.768 -8.140 -9.628 1.00 0.00 H new ATOM 372 N LEU A 28 -13.086 -5.746 -9.485 1.00 0.00 N ATOM 373 CA LEU A 28 -13.954 -5.833 -8.319 1.00 0.00 C ATOM 374 C LEU A 28 -14.997 -4.724 -8.345 1.00 0.00 C ATOM 375 O LEU A 28 -16.197 -4.982 -8.245 1.00 0.00 O ATOM 376 CB LEU A 28 -13.134 -5.754 -7.030 1.00 0.00 C ATOM 377 CG LEU A 28 -12.269 -6.982 -6.738 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.382 -6.736 -5.530 1.00 0.00 C ATOM 379 CD2 LEU A 28 -13.137 -8.209 -6.514 1.00 0.00 C ATOM 0 H LEU A 28 -12.510 -4.905 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.466 -6.795 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.488 -4.877 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.815 -5.600 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.633 -7.163 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.775 -7.621 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.731 -5.884 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.003 -6.527 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.502 -9.071 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.800 -8.036 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.732 -8.402 -7.407 1.00 0.00 H new ATOM 391 N ILE A 29 -14.529 -3.492 -8.493 1.00 0.00 N ATOM 392 CA ILE A 29 -15.410 -2.336 -8.534 1.00 0.00 C ATOM 393 C ILE A 29 -15.689 -1.931 -9.981 1.00 0.00 C ATOM 394 O ILE A 29 -16.805 -1.543 -10.326 1.00 0.00 O ATOM 395 CB ILE A 29 -14.798 -1.146 -7.758 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.707 -1.490 -6.266 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.610 0.129 -7.967 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.107 -0.388 -5.420 1.00 0.00 C ATOM 0 H ILE A 29 -13.538 -3.268 -8.587 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.350 -2.611 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.795 -0.963 -8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.706 -1.718 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.109 -2.393 -6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.154 0.946 -7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.628 0.379 -9.028 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.629 -0.027 -7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.076 -0.705 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.095 -0.175 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.717 0.511 -5.508 1.00 0.00 H new ATOM 410 N GLY A 30 -14.670 -2.022 -10.822 1.00 0.00 N ATOM 411 CA GLY A 30 -14.834 -1.668 -12.217 1.00 0.00 C ATOM 412 C GLY A 30 -14.099 -0.392 -12.563 1.00 0.00 C ATOM 413 O GLY A 30 -13.738 -0.166 -13.718 1.00 0.00 O ATOM 0 H GLY A 30 -13.734 -2.334 -10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.466 -2.481 -12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.894 -1.548 -12.439 1.00 0.00 H new ATOM 417 N TYR A 31 -13.881 0.444 -11.559 1.00 0.00 N ATOM 418 CA TYR A 31 -13.176 1.701 -11.750 1.00 0.00 C ATOM 419 C TYR A 31 -11.693 1.439 -11.979 1.00 0.00 C ATOM 420 O TYR A 31 -11.105 0.573 -11.333 1.00 0.00 O ATOM 421 CB TYR A 31 -13.361 2.611 -10.531 1.00 0.00 C ATOM 422 CG TYR A 31 -14.546 3.549 -10.631 1.00 0.00 C ATOM 423 CD1 TYR A 31 -14.616 4.504 -11.638 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.585 3.490 -9.711 1.00 0.00 C ATOM 425 CE1 TYR A 31 -15.687 5.372 -11.728 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.660 4.357 -9.792 1.00 0.00 C ATOM 427 CZ TYR A 31 -16.706 5.295 -10.803 1.00 0.00 C ATOM 428 OH TYR A 31 -17.774 6.162 -10.884 1.00 0.00 O ATOM 0 H TYR A 31 -14.184 0.273 -10.600 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.591 2.200 -12.626 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.477 1.990 -9.643 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.455 3.201 -10.391 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.819 4.569 -12.364 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.553 2.756 -8.920 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.726 6.107 -12.519 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.459 4.300 -9.068 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.404 5.973 -10.158 1.00 0.00 H new ATOM 438 N HIS A 32 -11.100 2.176 -12.904 1.00 0.00 N ATOM 439 CA HIS A 32 -9.686 2.018 -13.205 1.00 0.00 C ATOM 440 C HIS A 32 -8.858 2.804 -12.197 1.00 0.00 C ATOM 441 O HIS A 32 -9.147 3.971 -11.935 1.00 0.00 O ATOM 442 CB HIS A 32 -9.382 2.486 -14.633 1.00 0.00 C ATOM 443 CG HIS A 32 -8.162 1.846 -15.229 1.00 0.00 C ATOM 444 ND1 HIS A 32 -6.843 2.111 -15.057 1.00 0.00 N flip ATOM 445 CD2 HIS A 32 -8.222 0.793 -16.116 1.00 0.00 C flip ATOM 446 CE1 HIS A 32 -6.147 1.222 -15.833 1.00 0.00 C flip ATOM 447 NE2 HIS A 32 -7.000 0.438 -16.460 1.00 0.00 N flip ATOM 0 H HIS A 32 -11.575 2.888 -13.459 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.425 0.962 -13.134 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.242 2.271 -15.268 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.250 3.568 -14.631 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.130 0.330 -16.474 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.071 1.172 -15.917 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.756 -0.316 -17.103 1.00 0.00 H new ATOM 456 N PRO A 33 -7.828 2.166 -11.614 1.00 0.00 N ATOM 457 CA PRO A 33 -6.950 2.785 -10.611 1.00 0.00 C ATOM 458 C PRO A 33 -6.539 4.222 -10.938 1.00 0.00 C ATOM 459 O PRO A 33 -6.707 5.123 -10.114 1.00 0.00 O ATOM 460 CB PRO A 33 -5.727 1.871 -10.626 1.00 0.00 C ATOM 461 CG PRO A 33 -6.271 0.526 -10.959 1.00 0.00 C ATOM 462 CD PRO A 33 -7.450 0.759 -11.869 1.00 0.00 C ATOM 0 HA PRO A 33 -7.452 2.871 -9.647 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.996 2.198 -11.366 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.223 1.867 -9.660 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.516 -0.088 -11.450 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.575 -0.004 -10.057 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.185 0.600 -12.914 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.270 0.078 -11.642 1.00 0.00 H new ATOM 470 N GLU A 34 -6.026 4.428 -12.146 1.00 0.00 N ATOM 471 CA GLU A 34 -5.559 5.742 -12.588 1.00 0.00 C ATOM 472 C GLU A 34 -6.683 6.779 -12.651 1.00 0.00 C ATOM 473 O GLU A 34 -6.438 7.974 -12.493 1.00 0.00 O ATOM 474 CB GLU A 34 -4.903 5.624 -13.964 1.00 0.00 C ATOM 475 CG GLU A 34 -3.926 4.468 -14.078 1.00 0.00 C ATOM 476 CD GLU A 34 -2.704 4.643 -13.202 1.00 0.00 C ATOM 477 OE1 GLU A 34 -1.891 5.548 -13.487 1.00 0.00 O ATOM 478 OE2 GLU A 34 -2.540 3.871 -12.236 1.00 0.00 O ATOM 0 H GLU A 34 -5.921 3.693 -12.846 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.836 6.087 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.681 5.506 -14.718 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.380 6.554 -14.188 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.433 3.542 -13.806 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.611 4.366 -15.116 1.00 0.00 H new ATOM 485 N GLU A 35 -7.908 6.322 -12.866 1.00 0.00 N ATOM 486 CA GLU A 35 -9.052 7.223 -12.969 1.00 0.00 C ATOM 487 C GLU A 35 -9.537 7.665 -11.590 1.00 0.00 C ATOM 488 O GLU A 35 -10.331 8.600 -11.466 1.00 0.00 O ATOM 489 CB GLU A 35 -10.187 6.541 -13.733 1.00 0.00 C ATOM 490 CG GLU A 35 -10.929 7.472 -14.673 1.00 0.00 C ATOM 491 CD GLU A 35 -12.302 7.845 -14.161 1.00 0.00 C ATOM 492 OE1 GLU A 35 -13.225 7.007 -14.267 1.00 0.00 O ATOM 493 OE2 GLU A 35 -12.465 8.976 -13.656 1.00 0.00 O ATOM 0 H GLU A 35 -8.138 5.334 -12.973 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.734 8.112 -13.513 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.779 5.708 -14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.894 6.120 -13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.341 8.378 -14.819 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.027 6.995 -15.648 1.00 0.00 H new ATOM 500 N LEU A 36 -9.060 6.994 -10.556 1.00 0.00 N ATOM 501 CA LEU A 36 -9.451 7.327 -9.194 1.00 0.00 C ATOM 502 C LEU A 36 -8.357 8.120 -8.494 1.00 0.00 C ATOM 503 O LEU A 36 -8.601 8.765 -7.475 1.00 0.00 O ATOM 504 CB LEU A 36 -9.757 6.059 -8.394 1.00 0.00 C ATOM 505 CG LEU A 36 -10.836 5.152 -8.987 1.00 0.00 C ATOM 506 CD1 LEU A 36 -11.176 4.032 -8.019 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.084 5.951 -9.333 1.00 0.00 C ATOM 0 H LEU A 36 -8.403 6.217 -10.631 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.351 7.940 -9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.837 5.483 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.063 6.349 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.446 4.713 -9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.945 3.395 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.283 3.439 -7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.544 4.457 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.838 5.285 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.477 6.421 -8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.833 6.721 -10.063 1.00 0.00 H new ATOM 519 N LEU A 37 -7.159 8.084 -9.060 1.00 0.00 N ATOM 520 CA LEU A 37 -6.010 8.772 -8.482 1.00 0.00 C ATOM 521 C LEU A 37 -6.215 10.282 -8.427 1.00 0.00 C ATOM 522 O LEU A 37 -6.123 10.971 -9.445 1.00 0.00 O ATOM 523 CB LEU A 37 -4.743 8.458 -9.280 1.00 0.00 C ATOM 524 CG LEU A 37 -4.401 6.973 -9.395 1.00 0.00 C ATOM 525 CD1 LEU A 37 -3.103 6.786 -10.157 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.299 6.338 -8.021 1.00 0.00 C ATOM 0 H LEU A 37 -6.955 7.583 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.901 8.409 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.853 8.868 -10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.903 8.974 -8.815 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.203 6.480 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.874 5.723 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.205 7.205 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.296 7.296 -9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.055 5.281 -8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.517 6.836 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.252 6.440 -7.501 1.00 0.00 H new ATOM 538 N GLY A 38 -6.501 10.788 -7.237 1.00 0.00 N ATOM 539 CA GLY A 38 -6.688 12.215 -7.063 1.00 0.00 C ATOM 540 C GLY A 38 -8.140 12.656 -7.097 1.00 0.00 C ATOM 541 O GLY A 38 -8.426 13.844 -6.963 1.00 0.00 O ATOM 0 H GLY A 38 -6.607 10.235 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.250 12.515 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.141 12.741 -7.845 1.00 0.00 H new ATOM 545 N ARG A 39 -9.060 11.719 -7.268 1.00 0.00 N ATOM 546 CA ARG A 39 -10.477 12.063 -7.313 1.00 0.00 C ATOM 547 C ARG A 39 -11.133 11.806 -5.963 1.00 0.00 C ATOM 548 O ARG A 39 -10.628 11.019 -5.157 1.00 0.00 O ATOM 549 CB ARG A 39 -11.200 11.285 -8.417 1.00 0.00 C ATOM 550 CG ARG A 39 -11.482 9.834 -8.073 1.00 0.00 C ATOM 551 CD ARG A 39 -12.873 9.413 -8.522 1.00 0.00 C ATOM 552 NE ARG A 39 -13.032 9.448 -9.978 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.148 9.841 -10.593 1.00 0.00 C ATOM 554 NH1 ARG A 39 -15.183 10.270 -9.884 1.00 0.00 N ATOM 555 NH2 ARG A 39 -14.235 9.809 -11.915 1.00 0.00 N ATOM 0 H ARG A 39 -8.857 10.725 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.557 13.126 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.143 11.784 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.598 11.321 -9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.737 9.195 -8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.387 9.689 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.077 8.404 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.612 10.070 -8.064 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.243 9.155 -10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.127 10.300 -8.866 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.036 10.570 -10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.444 9.482 -12.470 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.093 10.111 -12.377 1.00 0.00 H new ATOM 569 N SER A 40 -12.249 12.480 -5.721 1.00 0.00 N ATOM 570 CA SER A 40 -12.981 12.335 -4.472 1.00 0.00 C ATOM 571 C SER A 40 -13.498 10.907 -4.313 1.00 0.00 C ATOM 572 O SER A 40 -14.239 10.403 -5.157 1.00 0.00 O ATOM 573 CB SER A 40 -14.140 13.332 -4.433 1.00 0.00 C ATOM 574 OG SER A 40 -14.181 14.110 -5.622 1.00 0.00 O ATOM 0 H SER A 40 -12.669 13.137 -6.379 1.00 0.00 H new ATOM 0 HA SER A 40 -12.306 12.544 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.082 12.796 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.032 13.987 -3.569 1.00 0.00 H new ATOM 0 HG SER A 40 -14.567 13.577 -6.348 1.00 0.00 H new ATOM 580 N ALA A 41 -13.103 10.263 -3.227 1.00 0.00 N ATOM 581 CA ALA A 41 -13.513 8.896 -2.965 1.00 0.00 C ATOM 582 C ALA A 41 -14.903 8.848 -2.351 1.00 0.00 C ATOM 583 O ALA A 41 -15.641 7.884 -2.544 1.00 0.00 O ATOM 584 CB ALA A 41 -12.514 8.213 -2.049 1.00 0.00 C ATOM 0 H ALA A 41 -12.498 10.667 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.544 8.366 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.834 7.188 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.532 8.205 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.457 8.754 -1.105 1.00 0.00 H new ATOM 590 N TYR A 42 -15.268 9.910 -1.639 1.00 0.00 N ATOM 591 CA TYR A 42 -16.568 9.983 -0.978 1.00 0.00 C ATOM 592 C TYR A 42 -17.717 10.079 -1.981 1.00 0.00 C ATOM 593 O TYR A 42 -18.885 9.994 -1.604 1.00 0.00 O ATOM 594 CB TYR A 42 -16.607 11.157 0.002 1.00 0.00 C ATOM 595 CG TYR A 42 -16.159 10.777 1.398 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.969 9.996 2.213 1.00 0.00 C ATOM 597 CD2 TYR A 42 -14.928 11.189 1.899 1.00 0.00 C ATOM 598 CE1 TYR A 42 -16.570 9.638 3.487 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.521 10.834 3.173 1.00 0.00 C ATOM 600 CZ TYR A 42 -15.345 10.060 3.961 1.00 0.00 C ATOM 601 OH TYR A 42 -14.944 9.703 5.229 1.00 0.00 O ATOM 0 H TYR A 42 -14.681 10.733 -1.505 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.702 9.056 -0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.969 11.958 -0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.622 11.552 0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -17.928 9.663 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -14.280 11.795 1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -17.213 9.032 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.563 11.162 3.548 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.057 10.079 5.410 1.00 0.00 H new ATOM 611 N GLU A 43 -17.382 10.237 -3.257 1.00 0.00 N ATOM 612 CA GLU A 43 -18.389 10.324 -4.310 1.00 0.00 C ATOM 613 C GLU A 43 -19.091 8.984 -4.481 1.00 0.00 C ATOM 614 O GLU A 43 -20.301 8.918 -4.696 1.00 0.00 O ATOM 615 CB GLU A 43 -17.745 10.736 -5.631 1.00 0.00 C ATOM 616 CG GLU A 43 -17.289 12.182 -5.659 1.00 0.00 C ATOM 617 CD GLU A 43 -17.036 12.672 -7.065 1.00 0.00 C ATOM 618 OE1 GLU A 43 -17.992 12.692 -7.868 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.885 13.043 -7.374 1.00 0.00 O ATOM 0 H GLU A 43 -16.420 10.308 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.121 11.078 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.889 10.090 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.458 10.573 -6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -18.046 12.809 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.378 12.285 -5.070 1.00 0.00 H new ATOM 626 N PHE A 44 -18.318 7.918 -4.381 1.00 0.00 N ATOM 627 CA PHE A 44 -18.852 6.574 -4.513 1.00 0.00 C ATOM 628 C PHE A 44 -18.546 5.780 -3.254 1.00 0.00 C ATOM 629 O PHE A 44 -18.564 4.548 -3.250 1.00 0.00 O ATOM 630 CB PHE A 44 -18.284 5.875 -5.756 1.00 0.00 C ATOM 631 CG PHE A 44 -16.794 5.991 -5.909 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.233 7.087 -6.545 1.00 0.00 C ATOM 633 CD2 PHE A 44 -15.956 5.000 -5.426 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.864 7.193 -6.693 1.00 0.00 C ATOM 635 CE2 PHE A 44 -14.588 5.100 -5.573 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.040 6.199 -6.207 1.00 0.00 C ATOM 0 H PHE A 44 -17.314 7.957 -4.208 1.00 0.00 H new ATOM 0 HA PHE A 44 -19.933 6.634 -4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.552 4.819 -5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.761 6.293 -6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.874 7.867 -6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.378 4.139 -4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.439 8.053 -7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -13.945 4.320 -5.193 1.00 0.00 H new ATOM 0 HZ PHE A 44 -12.969 6.279 -6.322 1.00 0.00 H new ATOM 646 N TYR A 45 -18.281 6.503 -2.173 1.00 0.00 N ATOM 647 CA TYR A 45 -17.974 5.883 -0.896 1.00 0.00 C ATOM 648 C TYR A 45 -19.250 5.465 -0.184 1.00 0.00 C ATOM 649 O TYR A 45 -19.501 5.869 0.953 1.00 0.00 O ATOM 650 CB TYR A 45 -17.165 6.828 -0.007 1.00 0.00 C ATOM 651 CG TYR A 45 -15.836 6.257 0.440 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.379 5.034 -0.044 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.035 6.944 1.343 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.164 4.515 0.362 1.00 0.00 C ATOM 655 CE2 TYR A 45 -13.819 6.431 1.753 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.389 5.217 1.260 1.00 0.00 C ATOM 657 OH TYR A 45 -12.179 4.704 1.668 1.00 0.00 O ATOM 0 H TYR A 45 -18.273 7.523 -2.158 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.372 4.996 -1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.987 7.758 -0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.757 7.079 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.984 4.482 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.368 7.895 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.824 3.565 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.208 6.978 2.456 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.231 4.457 2.615 1.00 0.00 H new ATOM 667 N HIS A 46 -20.044 4.642 -0.873 1.00 0.00 N ATOM 668 CA HIS A 46 -21.310 4.105 -0.353 1.00 0.00 C ATOM 669 C HIS A 46 -22.366 5.200 -0.215 1.00 0.00 C ATOM 670 O HIS A 46 -22.050 6.368 0.014 1.00 0.00 O ATOM 671 CB HIS A 46 -21.125 3.398 1.006 1.00 0.00 C ATOM 672 CG HIS A 46 -19.759 2.825 1.241 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.045 3.043 2.399 1.00 0.00 N ATOM 674 CD2 HIS A 46 -18.956 2.089 0.442 1.00 0.00 C ATOM 675 CE1 HIS A 46 -17.862 2.474 2.297 1.00 0.00 C ATOM 676 NE2 HIS A 46 -17.781 1.888 1.118 1.00 0.00 N ATOM 0 H HIS A 46 -19.826 4.325 -1.818 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.652 3.369 -1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.346 4.109 1.802 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.858 2.595 1.084 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.381 3.564 3.209 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.196 1.726 -0.547 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.089 2.485 3.051 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.976 1.370 0.767 1.00 0.00 H new ATOM 685 N ALA A 47 -23.623 4.819 -0.365 1.00 0.00 N ATOM 686 CA ALA A 47 -24.720 5.769 -0.245 1.00 0.00 C ATOM 687 C ALA A 47 -25.371 5.671 1.127 1.00 0.00 C ATOM 688 O ALA A 47 -25.827 6.671 1.681 1.00 0.00 O ATOM 689 CB ALA A 47 -25.749 5.540 -1.337 1.00 0.00 C ATOM 0 H ALA A 47 -23.911 3.862 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.312 6.773 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.560 6.260 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.279 5.666 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.148 4.529 -1.255 1.00 0.00 H new ATOM 695 N LEU A 48 -25.415 4.464 1.673 1.00 0.00 N ATOM 696 CA LEU A 48 -26.008 4.247 2.984 1.00 0.00 C ATOM 697 C LEU A 48 -24.917 3.984 4.016 1.00 0.00 C ATOM 698 O LEU A 48 -25.101 4.221 5.210 1.00 0.00 O ATOM 699 CB LEU A 48 -27.012 3.083 2.950 1.00 0.00 C ATOM 700 CG LEU A 48 -26.430 1.707 2.607 1.00 0.00 C ATOM 701 CD1 LEU A 48 -27.261 0.606 3.250 1.00 0.00 C ATOM 702 CD2 LEU A 48 -26.368 1.509 1.098 1.00 0.00 C ATOM 0 H LEU A 48 -25.048 3.622 1.229 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.551 5.148 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.497 3.018 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -27.788 3.319 2.222 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.415 1.656 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -26.836 -0.365 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.258 0.733 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.285 0.661 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -25.952 0.526 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.372 1.580 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.735 2.279 0.656 1.00 0.00 H new ATOM 714 N ASP A 49 -23.776 3.501 3.542 1.00 0.00 N ATOM 715 CA ASP A 49 -22.638 3.206 4.402 1.00 0.00 C ATOM 716 C ASP A 49 -21.611 4.330 4.309 1.00 0.00 C ATOM 717 O ASP A 49 -20.413 4.112 4.504 1.00 0.00 O ATOM 718 CB ASP A 49 -21.973 1.873 4.010 1.00 0.00 C ATOM 719 CG ASP A 49 -22.828 1.002 3.101 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.144 1.438 1.973 1.00 0.00 O ATOM 721 OD2 ASP A 49 -23.169 -0.127 3.510 1.00 0.00 O ATOM 0 H ASP A 49 -23.614 3.303 2.555 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.004 3.122 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.027 2.083 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -21.738 1.315 4.916 1.00 0.00 H new ATOM 726 N SER A 50 -22.081 5.529 3.993 1.00 0.00 N ATOM 727 CA SER A 50 -21.207 6.687 3.872 1.00 0.00 C ATOM 728 C SER A 50 -20.640 7.069 5.233 1.00 0.00 C ATOM 729 O SER A 50 -19.424 7.195 5.399 1.00 0.00 O ATOM 730 CB SER A 50 -21.978 7.862 3.272 1.00 0.00 C ATOM 731 OG SER A 50 -22.924 7.411 2.316 1.00 0.00 O ATOM 0 H SER A 50 -23.066 5.725 3.815 1.00 0.00 H new ATOM 0 HA SER A 50 -20.378 6.433 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.488 8.410 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.282 8.557 2.801 1.00 0.00 H new ATOM 0 HG SER A 50 -22.455 7.089 1.518 1.00 0.00 H new ATOM 737 N GLU A 51 -21.528 7.214 6.211 1.00 0.00 N ATOM 738 CA GLU A 51 -21.129 7.580 7.564 1.00 0.00 C ATOM 739 C GLU A 51 -20.237 6.511 8.172 1.00 0.00 C ATOM 740 O GLU A 51 -19.372 6.807 8.995 1.00 0.00 O ATOM 741 CB GLU A 51 -22.352 7.793 8.444 1.00 0.00 C ATOM 742 CG GLU A 51 -23.176 8.999 8.048 1.00 0.00 C ATOM 743 CD GLU A 51 -23.953 9.556 9.214 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.326 10.158 10.111 1.00 0.00 O ATOM 745 OE2 GLU A 51 -25.191 9.383 9.248 1.00 0.00 O ATOM 0 H GLU A 51 -22.532 7.083 6.090 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.568 8.513 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -22.980 6.903 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.030 7.906 9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -22.520 9.771 7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -23.866 8.722 7.251 1.00 0.00 H new ATOM 752 N ASN A 52 -20.466 5.269 7.767 1.00 0.00 N ATOM 753 CA ASN A 52 -19.674 4.142 8.242 1.00 0.00 C ATOM 754 C ASN A 52 -18.193 4.390 7.980 1.00 0.00 C ATOM 755 O ASN A 52 -17.346 4.139 8.840 1.00 0.00 O ATOM 756 CB ASN A 52 -20.133 2.849 7.556 1.00 0.00 C ATOM 757 CG ASN A 52 -19.019 1.825 7.393 1.00 0.00 C ATOM 758 OD1 ASN A 52 -18.313 1.819 6.385 1.00 0.00 O ATOM 759 ND2 ASN A 52 -18.856 0.956 8.380 1.00 0.00 N ATOM 0 H ASN A 52 -21.200 5.015 7.105 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.821 4.036 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.942 2.406 8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.540 3.092 6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.124 0.248 8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.463 0.995 9.199 1.00 0.00 H new ATOM 766 N MET A 53 -17.890 4.918 6.800 1.00 0.00 N ATOM 767 CA MET A 53 -16.514 5.202 6.430 1.00 0.00 C ATOM 768 C MET A 53 -16.037 6.471 7.117 1.00 0.00 C ATOM 769 O MET A 53 -14.879 6.563 7.522 1.00 0.00 O ATOM 770 CB MET A 53 -16.366 5.330 4.914 1.00 0.00 C ATOM 771 CG MET A 53 -15.491 4.245 4.304 1.00 0.00 C ATOM 772 SD MET A 53 -13.777 4.338 4.857 1.00 0.00 S ATOM 773 CE MET A 53 -13.259 2.636 4.645 1.00 0.00 C ATOM 0 H MET A 53 -18.579 5.157 6.086 1.00 0.00 H new ATOM 0 HA MET A 53 -15.895 4.367 6.759 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.354 5.292 4.454 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.941 6.306 4.678 1.00 0.00 H new ATOM 0 HG2 MET A 53 -15.899 3.268 4.562 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.523 4.327 3.218 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.181 2.563 4.792 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.768 2.007 5.375 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.512 2.301 3.639 1.00 0.00 H new ATOM 783 N THR A 54 -16.937 7.440 7.264 1.00 0.00 N ATOM 784 CA THR A 54 -16.601 8.691 7.927 1.00 0.00 C ATOM 785 C THR A 54 -16.169 8.423 9.367 1.00 0.00 C ATOM 786 O THR A 54 -15.122 8.894 9.812 1.00 0.00 O ATOM 787 CB THR A 54 -17.790 9.672 7.928 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.349 9.772 6.611 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.355 11.052 8.400 1.00 0.00 C ATOM 0 H THR A 54 -17.900 7.381 6.933 1.00 0.00 H new ATOM 0 HA THR A 54 -15.781 9.146 7.371 1.00 0.00 H new ATOM 0 HB THR A 54 -18.544 9.288 8.615 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.633 9.705 5.946 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.212 11.726 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.958 10.982 9.413 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.583 11.438 7.734 1.00 0.00 H new ATOM 797 N LYS A 55 -16.973 7.636 10.079 1.00 0.00 N ATOM 798 CA LYS A 55 -16.676 7.287 11.461 1.00 0.00 C ATOM 799 C LYS A 55 -15.396 6.462 11.537 1.00 0.00 C ATOM 800 O LYS A 55 -14.607 6.605 12.472 1.00 0.00 O ATOM 801 CB LYS A 55 -17.843 6.518 12.085 1.00 0.00 C ATOM 802 CG LYS A 55 -18.820 7.401 12.846 1.00 0.00 C ATOM 803 CD LYS A 55 -19.902 7.967 11.938 1.00 0.00 C ATOM 804 CE LYS A 55 -20.904 8.796 12.726 1.00 0.00 C ATOM 805 NZ LYS A 55 -22.284 8.689 12.178 1.00 0.00 N ATOM 0 H LYS A 55 -17.836 7.229 9.718 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.530 8.209 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.381 5.990 11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.447 5.761 12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.283 6.824 13.646 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.277 8.220 13.317 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.445 8.584 11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.419 7.152 11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.903 8.470 13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.593 9.841 12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.964 9.052 12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.354 9.247 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.499 7.693 11.971 1.00 0.00 H new ATOM 819 N SER A 56 -15.188 5.610 10.541 1.00 0.00 N ATOM 820 CA SER A 56 -13.996 4.782 10.486 1.00 0.00 C ATOM 821 C SER A 56 -12.757 5.653 10.295 1.00 0.00 C ATOM 822 O SER A 56 -11.794 5.539 11.045 1.00 0.00 O ATOM 823 CB SER A 56 -14.107 3.758 9.356 1.00 0.00 C ATOM 824 OG SER A 56 -15.109 2.795 9.637 1.00 0.00 O ATOM 0 H SER A 56 -15.832 5.476 9.761 1.00 0.00 H new ATOM 0 HA SER A 56 -13.903 4.244 11.430 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.340 4.267 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.148 3.259 9.217 1.00 0.00 H new ATOM 0 HG SER A 56 -15.993 3.189 9.484 1.00 0.00 H new ATOM 830 N HIS A 57 -12.803 6.543 9.305 1.00 0.00 N ATOM 831 CA HIS A 57 -11.689 7.446 9.022 1.00 0.00 C ATOM 832 C HIS A 57 -11.421 8.335 10.232 1.00 0.00 C ATOM 833 O HIS A 57 -10.279 8.698 10.515 1.00 0.00 O ATOM 834 CB HIS A 57 -12.005 8.303 7.787 1.00 0.00 C ATOM 835 CG HIS A 57 -10.876 9.186 7.332 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.068 10.469 6.868 1.00 0.00 N ATOM 837 CD2 HIS A 57 -9.541 8.959 7.255 1.00 0.00 C ATOM 838 CE1 HIS A 57 -9.904 10.992 6.526 1.00 0.00 C ATOM 839 NE2 HIS A 57 -8.961 10.098 6.752 1.00 0.00 N ATOM 0 H HIS A 57 -13.603 6.658 8.683 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.796 6.856 8.816 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.287 7.644 6.966 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.871 8.927 8.006 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.029 8.051 7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.750 11.984 6.128 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.964 10.231 6.581 1.00 0.00 H new ATOM 848 N GLN A 58 -12.487 8.672 10.940 1.00 0.00 N ATOM 849 CA GLN A 58 -12.399 9.500 12.130 1.00 0.00 C ATOM 850 C GLN A 58 -11.605 8.792 13.226 1.00 0.00 C ATOM 851 O GLN A 58 -10.604 9.312 13.713 1.00 0.00 O ATOM 852 CB GLN A 58 -13.810 9.827 12.625 1.00 0.00 C ATOM 853 CG GLN A 58 -13.863 10.466 14.002 1.00 0.00 C ATOM 854 CD GLN A 58 -15.286 10.684 14.468 1.00 0.00 C ATOM 855 OE1 GLN A 58 -15.874 11.735 14.222 1.00 0.00 O ATOM 856 NE2 GLN A 58 -15.854 9.689 15.132 1.00 0.00 N ATOM 0 H GLN A 58 -13.436 8.379 10.706 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.878 10.424 11.880 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.286 10.497 11.909 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.397 8.909 12.642 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.340 9.831 14.717 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.338 11.421 13.980 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.330 8.833 15.315 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.816 9.778 15.460 1.00 0.00 H new ATOM 865 N ASN A 59 -12.048 7.594 13.583 1.00 0.00 N ATOM 866 CA ASN A 59 -11.402 6.806 14.632 1.00 0.00 C ATOM 867 C ASN A 59 -10.024 6.310 14.193 1.00 0.00 C ATOM 868 O ASN A 59 -9.109 6.190 15.006 1.00 0.00 O ATOM 869 CB ASN A 59 -12.298 5.621 15.006 1.00 0.00 C ATOM 870 CG ASN A 59 -11.591 4.578 15.852 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.239 4.824 17.008 1.00 0.00 O ATOM 872 ND2 ASN A 59 -11.408 3.393 15.291 1.00 0.00 N ATOM 0 H ASN A 59 -12.858 7.141 13.160 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.259 7.446 15.502 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.169 5.990 15.548 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.666 5.151 14.094 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.961 2.643 15.818 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.714 3.230 14.332 1.00 0.00 H new ATOM 879 N LEU A 60 -9.885 6.041 12.903 1.00 0.00 N ATOM 880 CA LEU A 60 -8.634 5.549 12.332 1.00 0.00 C ATOM 881 C LEU A 60 -7.464 6.485 12.631 1.00 0.00 C ATOM 882 O LEU A 60 -6.394 6.036 13.047 1.00 0.00 O ATOM 883 CB LEU A 60 -8.794 5.378 10.820 1.00 0.00 C ATOM 884 CG LEU A 60 -7.639 4.685 10.098 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.209 3.429 10.839 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.050 4.349 8.674 1.00 0.00 C ATOM 0 H LEU A 60 -10.634 6.157 12.221 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.410 4.587 12.793 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.706 4.811 10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.935 6.363 10.376 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.788 5.365 10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.386 2.955 10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.884 3.694 11.845 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.049 2.737 10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.223 3.855 8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.914 3.685 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.308 5.266 8.144 1.00 0.00 H new ATOM 898 N CYS A 61 -7.673 7.780 12.439 1.00 0.00 N ATOM 899 CA CYS A 61 -6.627 8.770 12.682 1.00 0.00 C ATOM 900 C CYS A 61 -6.317 8.907 14.173 1.00 0.00 C ATOM 901 O CYS A 61 -5.297 9.480 14.555 1.00 0.00 O ATOM 902 CB CYS A 61 -7.038 10.123 12.096 1.00 0.00 C ATOM 903 SG CYS A 61 -7.382 10.076 10.320 1.00 0.00 S ATOM 0 H CYS A 61 -8.557 8.172 12.115 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.719 8.426 12.187 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.925 10.481 12.619 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.244 10.846 12.284 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.548 9.537 10.118 1.00 0.00 H new ATOM 909 N THR A 62 -7.188 8.368 15.011 1.00 0.00 N ATOM 910 CA THR A 62 -6.999 8.431 16.451 1.00 0.00 C ATOM 911 C THR A 62 -6.665 7.050 17.016 1.00 0.00 C ATOM 912 O THR A 62 -6.796 6.810 18.215 1.00 0.00 O ATOM 913 CB THR A 62 -8.262 8.975 17.143 1.00 0.00 C ATOM 914 OG1 THR A 62 -9.100 9.631 16.178 1.00 0.00 O ATOM 915 CG2 THR A 62 -7.897 9.955 18.247 1.00 0.00 C ATOM 0 H THR A 62 -8.035 7.881 14.718 1.00 0.00 H new ATOM 0 HA THR A 62 -6.166 9.106 16.646 1.00 0.00 H new ATOM 0 HB THR A 62 -8.798 8.136 17.587 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.903 9.974 16.622 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.806 10.325 18.720 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.280 9.452 18.991 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.343 10.792 17.822 1.00 0.00 H new ATOM 923 N LYS A 63 -6.237 6.143 16.141 1.00 0.00 N ATOM 924 CA LYS A 63 -5.890 4.784 16.553 1.00 0.00 C ATOM 925 C LYS A 63 -4.646 4.291 15.824 1.00 0.00 C ATOM 926 O LYS A 63 -3.728 3.749 16.437 1.00 0.00 O ATOM 927 CB LYS A 63 -7.056 3.825 16.281 1.00 0.00 C ATOM 928 CG LYS A 63 -8.202 3.957 17.270 1.00 0.00 C ATOM 929 CD LYS A 63 -7.855 3.342 18.613 1.00 0.00 C ATOM 930 CE LYS A 63 -8.955 3.578 19.635 1.00 0.00 C ATOM 931 NZ LYS A 63 -10.237 2.934 19.242 1.00 0.00 N ATOM 0 H LYS A 63 -6.122 6.323 15.144 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.683 4.806 17.623 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.434 4.004 15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.685 2.800 16.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.448 5.010 17.404 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.090 3.471 16.865 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.692 2.271 18.493 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.920 3.767 18.978 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.638 3.190 20.603 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.111 4.650 19.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.874 2.899 20.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.683 3.485 18.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.051 1.967 18.907 1.00 0.00 H new ATOM 945 N GLY A 64 -4.624 4.479 14.512 1.00 0.00 N ATOM 946 CA GLY A 64 -3.494 4.040 13.718 1.00 0.00 C ATOM 947 C GLY A 64 -3.844 2.848 12.848 1.00 0.00 C ATOM 948 O GLY A 64 -3.643 2.876 11.635 1.00 0.00 O ATOM 0 H GLY A 64 -5.370 4.929 13.982 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.152 4.861 13.088 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.667 3.778 14.377 1.00 0.00 H new ATOM 952 N GLN A 65 -4.381 1.802 13.462 1.00 0.00 N ATOM 953 CA GLN A 65 -4.757 0.601 12.730 1.00 0.00 C ATOM 954 C GLN A 65 -6.054 0.023 13.280 1.00 0.00 C ATOM 955 O GLN A 65 -6.146 -0.298 14.465 1.00 0.00 O ATOM 956 CB GLN A 65 -3.638 -0.442 12.800 1.00 0.00 C ATOM 957 CG GLN A 65 -3.927 -1.707 12.003 1.00 0.00 C ATOM 958 CD GLN A 65 -2.779 -2.698 12.034 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.000 -2.736 12.986 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.668 -3.517 11.000 1.00 0.00 N ATOM 0 H GLN A 65 -4.566 1.761 14.464 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.915 0.872 11.686 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.714 0.005 12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.469 -0.711 13.843 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.823 -2.184 12.400 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.141 -1.438 10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.332 -3.457 10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.918 -4.208 10.975 1.00 0.00 H new ATOM 969 N VAL A 66 -7.052 -0.091 12.418 1.00 0.00 N ATOM 970 CA VAL A 66 -8.346 -0.636 12.804 1.00 0.00 C ATOM 971 C VAL A 66 -9.074 -1.167 11.572 1.00 0.00 C ATOM 972 O VAL A 66 -8.926 -0.628 10.476 1.00 0.00 O ATOM 973 CB VAL A 66 -9.222 0.419 13.529 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.612 1.556 12.596 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.457 -0.231 14.136 1.00 0.00 C ATOM 0 H VAL A 66 -6.990 0.189 11.439 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.169 -1.453 13.503 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.626 0.845 14.336 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.225 2.277 13.137 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.712 2.049 12.228 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.178 1.158 11.754 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.057 0.527 14.639 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.048 -0.697 13.347 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.152 -0.990 14.857 1.00 0.00 H new ATOM 985 N VAL A 67 -9.835 -2.235 11.745 1.00 0.00 N ATOM 986 CA VAL A 67 -10.568 -2.829 10.638 1.00 0.00 C ATOM 987 C VAL A 67 -12.036 -2.411 10.659 1.00 0.00 C ATOM 988 O VAL A 67 -12.732 -2.596 11.658 1.00 0.00 O ATOM 989 CB VAL A 67 -10.487 -4.371 10.666 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.880 -4.956 9.318 1.00 0.00 C ATOM 991 CG2 VAL A 67 -9.093 -4.831 11.065 1.00 0.00 C ATOM 0 H VAL A 67 -9.962 -2.708 12.640 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.101 -2.464 9.723 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.192 -4.734 11.414 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.816 -6.043 9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.902 -4.662 9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.204 -4.582 8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.059 -5.920 11.078 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.366 -4.454 10.346 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.854 -4.449 12.057 1.00 0.00 H new ATOM 1001 N SER A 68 -12.490 -1.823 9.562 1.00 0.00 N ATOM 1002 CA SER A 68 -13.874 -1.402 9.429 1.00 0.00 C ATOM 1003 C SER A 68 -14.738 -2.601 9.060 1.00 0.00 C ATOM 1004 O SER A 68 -14.268 -3.524 8.385 1.00 0.00 O ATOM 1005 CB SER A 68 -13.997 -0.314 8.360 1.00 0.00 C ATOM 1006 OG SER A 68 -13.196 0.810 8.683 1.00 0.00 O ATOM 0 H SER A 68 -11.913 -1.626 8.745 1.00 0.00 H new ATOM 0 HA SER A 68 -14.216 -0.992 10.380 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.694 -0.714 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.039 -0.008 8.266 1.00 0.00 H new ATOM 0 HG SER A 68 -13.163 1.419 7.916 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.987 -2.586 9.502 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.893 -3.683 9.223 1.00 0.00 C ATOM 1014 C GLY A 69 -17.226 -3.800 7.750 1.00 0.00 C ATOM 1015 O GLY A 69 -17.222 -2.799 7.029 1.00 0.00 O ATOM 0 H GLY A 69 -16.392 -1.829 10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.446 -4.616 9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.813 -3.543 9.790 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.505 -5.023 7.307 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.841 -5.279 5.913 1.00 0.00 C ATOM 1021 C GLN A 70 -19.042 -4.446 5.499 1.00 0.00 C ATOM 1022 O GLN A 70 -20.136 -4.593 6.046 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.124 -6.766 5.696 1.00 0.00 C ATOM 1024 CG GLN A 70 -18.122 -7.175 4.234 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.886 -8.659 4.040 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -16.747 -9.108 3.924 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -18.957 -9.433 4.008 1.00 0.00 N ATOM 0 H GLN A 70 -17.504 -5.854 7.898 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.990 -4.995 5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.376 -7.352 6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.092 -7.011 6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -19.076 -6.902 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.349 -6.617 3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.886 -9.023 4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.855 -10.440 3.884 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.825 -3.562 4.544 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.876 -2.681 4.064 1.00 0.00 C ATOM 1038 C TYR A 71 -20.175 -2.939 2.592 1.00 0.00 C ATOM 1039 O TYR A 71 -19.631 -3.865 1.991 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.461 -1.219 4.266 1.00 0.00 C ATOM 1041 CG TYR A 71 -18.083 -0.881 3.722 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.754 -1.121 2.391 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -17.117 -0.308 4.537 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.508 -0.804 1.894 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.870 0.020 4.044 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.571 -0.232 2.722 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.337 0.106 2.223 1.00 0.00 O ATOM 0 H TYR A 71 -17.925 -3.434 4.082 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.782 -2.883 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.197 -0.575 3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.485 -0.990 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.489 -1.564 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.345 -0.115 5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.269 -1.004 0.860 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.132 0.472 4.691 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.638 -0.245 2.814 1.00 0.00 H new ATOM 1057 N ARG A 72 -21.029 -2.105 2.020 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.388 -2.220 0.619 1.00 0.00 C ATOM 1059 C ARG A 72 -20.663 -1.154 -0.198 1.00 0.00 C ATOM 1060 O ARG A 72 -21.043 0.016 -0.191 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.902 -2.081 0.457 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.680 -3.280 0.971 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.143 -2.942 1.194 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.977 -4.140 1.252 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.657 -4.538 2.325 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -26.578 -3.860 3.468 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.397 -5.636 2.261 1.00 0.00 N ATOM 0 H ARG A 72 -21.488 -1.337 2.510 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.086 -3.201 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.235 -1.188 0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.134 -1.932 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.600 -4.100 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.239 -3.627 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.248 -2.381 2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.493 -2.295 0.390 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.043 -4.712 0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.992 -3.027 3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -27.103 -4.174 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.443 -6.170 1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.921 -5.947 3.079 1.00 0.00 H new ATOM 1081 N MET A 73 -19.600 -1.555 -0.884 1.00 0.00 N ATOM 1082 CA MET A 73 -18.820 -0.632 -1.701 1.00 0.00 C ATOM 1083 C MET A 73 -19.479 -0.447 -3.062 1.00 0.00 C ATOM 1084 O MET A 73 -19.859 -1.421 -3.706 1.00 0.00 O ATOM 1085 CB MET A 73 -17.391 -1.148 -1.877 1.00 0.00 C ATOM 1086 CG MET A 73 -16.469 -0.156 -2.571 1.00 0.00 C ATOM 1087 SD MET A 73 -16.326 1.402 -1.673 1.00 0.00 S ATOM 1088 CE MET A 73 -15.310 2.344 -2.807 1.00 0.00 C ATOM 0 H MET A 73 -19.257 -2.516 -0.891 1.00 0.00 H new ATOM 0 HA MET A 73 -18.783 0.331 -1.192 1.00 0.00 H new ATOM 0 HB2 MET A 73 -16.978 -1.392 -0.898 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.415 -2.073 -2.453 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.480 -0.600 -2.681 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.843 0.041 -3.576 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.189 3.359 -2.429 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.332 1.871 -2.898 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.790 2.376 -3.785 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.607 0.798 -3.498 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.238 1.090 -4.777 1.00 0.00 C ATOM 1100 C LEU A 74 -19.304 0.778 -5.939 1.00 0.00 C ATOM 1101 O LEU A 74 -18.145 1.196 -5.956 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.674 2.555 -4.846 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.379 2.957 -6.143 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.756 2.316 -6.220 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.487 4.470 -6.248 1.00 0.00 C ATOM 0 H LEU A 74 -19.284 1.619 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.118 0.452 -4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.341 2.760 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.795 3.187 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.784 2.598 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.244 2.612 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.654 1.231 -6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.358 2.645 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -21.991 4.735 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.058 4.854 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.489 4.908 -6.239 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.824 0.032 -6.899 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.075 -0.341 -8.082 1.00 0.00 C ATOM 1119 C ALA A 75 -19.396 0.609 -9.233 1.00 0.00 C ATOM 1120 O ALA A 75 -20.240 1.496 -9.095 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.392 -1.780 -8.459 1.00 0.00 C ATOM 0 H ALA A 75 -20.777 -0.331 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.008 -0.265 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.827 -2.056 -9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.119 -2.440 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.459 -1.876 -8.662 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.750 0.404 -10.375 1.00 0.00 N ATOM 1128 CA LYS A 76 -18.954 1.251 -11.551 1.00 0.00 C ATOM 1129 C LYS A 76 -20.207 0.836 -12.334 1.00 0.00 C ATOM 1130 O LYS A 76 -20.228 0.873 -13.564 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.721 1.178 -12.457 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.562 2.374 -13.381 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.376 2.201 -14.320 1.00 0.00 C ATOM 1134 CE LYS A 76 -16.620 1.091 -15.336 1.00 0.00 C ATOM 1135 NZ LYS A 76 -17.525 1.524 -16.432 1.00 0.00 N ATOM 0 H LYS A 76 -18.074 -0.347 -10.515 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.100 2.276 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.830 1.091 -11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.778 0.271 -13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.473 2.508 -13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.428 3.278 -12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.186 3.138 -14.843 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.482 1.973 -13.739 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.667 0.771 -15.758 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.051 0.227 -14.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.663 0.738 -17.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.444 1.805 -16.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.103 2.332 -16.932 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.249 0.444 -11.612 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.504 0.028 -12.239 1.00 0.00 C ATOM 1151 C HIS A 77 -23.626 -0.038 -11.210 1.00 0.00 C ATOM 1152 O HIS A 77 -24.574 -0.803 -11.361 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.354 -1.328 -12.958 1.00 0.00 C ATOM 1154 CG HIS A 77 -21.892 -2.461 -12.086 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.735 -3.447 -11.620 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.665 -2.769 -11.609 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -22.046 -4.307 -10.894 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.788 -3.918 -10.874 1.00 0.00 N ATOM 0 H HIS A 77 -21.253 0.404 -10.593 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.761 0.778 -12.988 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.314 -1.597 -13.399 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.648 -1.210 -13.780 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.755 -2.212 -11.777 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -22.446 -5.181 -10.401 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -20.028 -4.395 -10.389 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.506 0.764 -10.156 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.522 0.796 -9.113 1.00 0.00 C ATOM 1169 C GLY A 78 -24.489 -0.403 -8.176 1.00 0.00 C ATOM 1170 O GLY A 78 -25.198 -0.425 -7.171 1.00 0.00 O ATOM 0 H GLY A 78 -22.720 1.396 -10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.396 1.706 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.505 0.851 -9.580 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.682 -1.402 -8.500 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.590 -2.582 -7.658 1.00 0.00 C ATOM 1176 C GLY A 79 -22.854 -2.301 -6.364 1.00 0.00 C ATOM 1177 O GLY A 79 -22.021 -1.398 -6.310 1.00 0.00 O ATOM 0 H GLY A 79 -23.089 -1.419 -9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.593 -2.946 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.077 -3.376 -8.201 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.164 -3.060 -5.321 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.519 -2.874 -4.027 1.00 0.00 C ATOM 1183 C TYR A 80 -21.777 -4.138 -3.608 1.00 0.00 C ATOM 1184 O TYR A 80 -22.389 -5.162 -3.334 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.555 -2.496 -2.968 1.00 0.00 C ATOM 1186 CG TYR A 80 -23.993 -1.052 -3.038 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.196 -0.044 -2.517 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.200 -0.699 -3.623 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -23.587 1.279 -2.576 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -25.601 0.622 -3.688 1.00 0.00 C ATOM 1191 CZ TYR A 80 -24.791 1.607 -3.162 1.00 0.00 C ATOM 1192 OH TYR A 80 -25.187 2.924 -3.222 1.00 0.00 O ATOM 0 H TYR A 80 -23.856 -3.809 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.796 -2.064 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.429 -3.138 -3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.140 -2.694 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.253 -0.298 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -25.837 -1.469 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.954 2.052 -2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -26.543 0.882 -4.148 1.00 0.00 H new ATOM 0 HH TYR A 80 -26.058 2.984 -3.667 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.459 -4.058 -3.554 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.640 -5.202 -3.181 1.00 0.00 C ATOM 1204 C VAL A 81 -19.349 -5.197 -1.680 1.00 0.00 C ATOM 1205 O VAL A 81 -18.907 -4.186 -1.132 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.302 -5.210 -3.955 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.641 -6.576 -3.874 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.512 -4.801 -5.406 1.00 0.00 C ATOM 0 H VAL A 81 -19.930 -3.211 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.204 -6.099 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.639 -4.481 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.701 -6.559 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.445 -6.824 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.302 -7.326 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.556 -4.814 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.198 -5.499 -5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.932 -3.796 -5.444 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.607 -6.323 -1.023 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.360 -6.452 0.410 1.00 0.00 C ATOM 1220 C TRP A 82 -17.871 -6.655 0.671 1.00 0.00 C ATOM 1221 O TRP A 82 -17.330 -7.732 0.412 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.140 -7.633 0.985 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.573 -7.337 1.308 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.634 -7.343 0.446 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.103 -7.013 2.596 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.791 -7.042 1.125 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.489 -6.832 2.446 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.538 -6.856 3.864 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.314 -6.505 3.518 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.358 -6.530 4.924 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.733 -6.359 4.746 1.00 0.00 C ATOM 0 H TRP A 82 -19.988 -7.162 -1.461 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.692 -5.535 0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.105 -8.456 0.272 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.640 -7.975 1.891 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.572 -7.553 -0.612 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.722 -6.984 0.713 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.476 -6.988 4.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.377 -6.371 3.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -21.930 -6.405 5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.349 -6.106 5.596 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.217 -5.629 1.200 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.785 -5.697 1.464 1.00 0.00 C ATOM 1244 C LEU A 83 -15.431 -5.144 2.843 1.00 0.00 C ATOM 1245 O LEU A 83 -16.068 -4.204 3.329 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.021 -4.899 0.398 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.148 -5.723 -0.548 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.006 -6.603 -1.441 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.271 -4.808 -1.388 1.00 0.00 C ATOM 0 H LEU A 83 -17.653 -4.743 1.454 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.499 -6.748 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.743 -4.340 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.389 -4.168 0.902 1.00 0.00 H new ATOM 0 HG LEU A 83 -13.505 -6.368 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.365 -7.181 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -15.595 -7.282 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.674 -5.978 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.655 -5.408 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.900 -4.140 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.628 -4.219 -0.734 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.431 -5.755 3.472 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.935 -5.303 4.768 1.00 0.00 C ATOM 1263 C GLU A 84 -12.704 -4.446 4.520 1.00 0.00 C ATOM 1264 O GLU A 84 -11.995 -4.670 3.543 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.574 -6.485 5.672 1.00 0.00 C ATOM 1266 CG GLU A 84 -14.764 -7.344 6.060 1.00 0.00 C ATOM 1267 CD GLU A 84 -14.498 -8.222 7.265 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -14.603 -7.722 8.404 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.207 -9.421 7.081 1.00 0.00 O ATOM 0 H GLU A 84 -13.945 -6.571 3.101 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.713 -4.732 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.838 -7.108 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.100 -6.107 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.617 -6.698 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.041 -7.973 5.214 1.00 0.00 H new ATOM 1276 N THR A 85 -12.431 -3.479 5.378 1.00 0.00 N ATOM 1277 CA THR A 85 -11.282 -2.614 5.158 1.00 0.00 C ATOM 1278 C THR A 85 -10.471 -2.365 6.423 1.00 0.00 C ATOM 1279 O THR A 85 -10.960 -1.774 7.383 1.00 0.00 O ATOM 1280 CB THR A 85 -11.733 -1.263 4.577 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.728 -1.478 3.571 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.562 -0.508 3.974 1.00 0.00 C ATOM 0 H THR A 85 -12.975 -3.274 6.216 1.00 0.00 H new ATOM 0 HA THR A 85 -10.638 -3.137 4.451 1.00 0.00 H new ATOM 0 HB THR A 85 -12.148 -0.666 5.389 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.292 -1.709 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.911 0.443 3.571 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.813 -0.323 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.120 -1.101 3.173 1.00 0.00 H new ATOM 1290 N GLN A 86 -9.229 -2.826 6.416 1.00 0.00 N ATOM 1291 CA GLN A 86 -8.332 -2.620 7.536 1.00 0.00 C ATOM 1292 C GLN A 86 -7.507 -1.366 7.288 1.00 0.00 C ATOM 1293 O GLN A 86 -6.645 -1.347 6.408 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.403 -3.817 7.727 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.468 -3.665 8.916 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.179 -4.440 8.753 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -4.151 -3.781 8.245 1.00 0.00 O flip ATOM 1298 NE2 GLN A 86 -5.100 -5.616 9.092 1.00 0.00 N flip ATOM 0 H GLN A 86 -8.821 -3.348 5.641 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.927 -2.506 8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.003 -4.717 7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.811 -3.957 6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.236 -2.609 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.978 -4.003 9.818 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.915 -6.091 9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.219 -6.119 8.986 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.787 -0.322 8.045 1.00 0.00 N ATOM 1308 CA GLY A 87 -7.070 0.921 7.886 1.00 0.00 C ATOM 1309 C GLY A 87 -5.740 0.914 8.606 1.00 0.00 C ATOM 1310 O GLY A 87 -5.685 0.738 9.823 1.00 0.00 O ATOM 0 H GLY A 87 -8.503 -0.313 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.905 1.109 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.681 1.741 8.264 1.00 0.00 H new ATOM 1314 N THR A 88 -4.670 1.083 7.850 1.00 0.00 N ATOM 1315 CA THR A 88 -3.329 1.114 8.409 1.00 0.00 C ATOM 1316 C THR A 88 -2.677 2.462 8.112 1.00 0.00 C ATOM 1317 O THR A 88 -2.134 2.675 7.026 1.00 0.00 O ATOM 1318 CB THR A 88 -2.467 -0.021 7.830 1.00 0.00 C ATOM 1319 OG1 THR A 88 -3.309 -1.107 7.408 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.461 -0.521 8.856 1.00 0.00 C ATOM 0 H THR A 88 -4.704 1.202 6.838 1.00 0.00 H new ATOM 0 HA THR A 88 -3.402 0.974 9.488 1.00 0.00 H new ATOM 0 HB THR A 88 -1.918 0.371 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.763 -0.864 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.865 -1.323 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.806 0.298 9.152 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.990 -0.897 9.731 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.748 3.370 9.071 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.193 4.706 8.908 1.00 0.00 C ATOM 1330 C VAL A 89 -0.673 4.707 9.045 1.00 0.00 C ATOM 1331 O VAL A 89 -0.134 4.367 10.099 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.787 5.691 9.938 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.220 7.088 9.739 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.303 5.716 9.850 1.00 0.00 C ATOM 0 H VAL A 89 -3.187 3.206 9.977 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.459 5.029 7.902 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.507 5.346 10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.653 7.765 10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.137 7.062 9.862 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.463 7.440 8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.699 6.417 10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.604 6.030 8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.696 4.719 10.051 1.00 0.00 H new ATOM 1344 N ILE A 90 0.010 5.077 7.971 1.00 0.00 N ATOM 1345 CA ILE A 90 1.459 5.154 7.991 1.00 0.00 C ATOM 1346 C ILE A 90 1.869 6.576 8.363 1.00 0.00 C ATOM 1347 O ILE A 90 1.211 7.544 7.970 1.00 0.00 O ATOM 1348 CB ILE A 90 2.087 4.724 6.635 1.00 0.00 C ATOM 1349 CG1 ILE A 90 3.419 4.008 6.873 1.00 0.00 C ATOM 1350 CG2 ILE A 90 2.285 5.910 5.700 1.00 0.00 C ATOM 1351 CD1 ILE A 90 3.279 2.723 7.659 1.00 0.00 C ATOM 0 H ILE A 90 -0.417 5.327 7.079 1.00 0.00 H new ATOM 0 HA ILE A 90 1.837 4.455 8.736 1.00 0.00 H new ATOM 0 HB ILE A 90 1.391 4.038 6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.882 3.788 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.094 4.679 7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.726 5.566 4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.322 6.378 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.949 6.636 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.261 2.268 7.791 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.845 2.939 8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.630 2.034 7.118 1.00 0.00 H new ATOM 1363 N TYR A 91 2.925 6.710 9.140 1.00 0.00 N ATOM 1364 CA TYR A 91 3.375 8.024 9.567 1.00 0.00 C ATOM 1365 C TYR A 91 4.602 8.468 8.785 1.00 0.00 C ATOM 1366 O TYR A 91 5.410 7.644 8.358 1.00 0.00 O ATOM 1367 CB TYR A 91 3.661 8.028 11.069 1.00 0.00 C ATOM 1368 CG TYR A 91 2.406 8.033 11.915 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.619 6.894 12.032 1.00 0.00 C ATOM 1370 CD2 TYR A 91 2.006 9.179 12.590 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.468 6.897 12.793 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.855 9.190 13.358 1.00 0.00 C ATOM 1373 CZ TYR A 91 0.089 8.046 13.455 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.060 8.049 14.215 1.00 0.00 O ATOM 0 H TYR A 91 3.486 5.932 9.488 1.00 0.00 H new ATOM 0 HA TYR A 91 2.576 8.737 9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.258 7.151 11.321 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.261 8.904 11.316 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.913 5.991 11.518 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.603 10.076 12.514 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.134 6.003 12.870 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.558 10.088 13.878 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.185 8.934 14.616 1.00 0.00 H new ATOM 1384 N ASN A 92 4.721 9.771 8.586 1.00 0.00 N ATOM 1385 CA ASN A 92 5.841 10.341 7.853 1.00 0.00 C ATOM 1386 C ASN A 92 6.651 11.257 8.767 1.00 0.00 C ATOM 1387 O ASN A 92 6.163 12.305 9.202 1.00 0.00 O ATOM 1388 CB ASN A 92 5.331 11.104 6.622 1.00 0.00 C ATOM 1389 CG ASN A 92 6.440 11.759 5.816 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.621 11.478 6.008 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.059 12.632 4.895 1.00 0.00 N ATOM 0 H ASN A 92 4.049 10.460 8.925 1.00 0.00 H new ATOM 0 HA ASN A 92 6.492 9.537 7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.782 10.416 5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.626 11.870 6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.756 13.098 4.315 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.068 12.838 4.766 1.00 0.00 H new ATOM 1398 N PRO A 93 7.906 10.868 9.060 1.00 0.00 N ATOM 1399 CA PRO A 93 8.808 11.624 9.942 1.00 0.00 C ATOM 1400 C PRO A 93 9.148 13.020 9.421 1.00 0.00 C ATOM 1401 O PRO A 93 9.703 13.837 10.155 1.00 0.00 O ATOM 1402 CB PRO A 93 10.075 10.763 9.992 1.00 0.00 C ATOM 1403 CG PRO A 93 10.005 9.907 8.777 1.00 0.00 C ATOM 1404 CD PRO A 93 8.548 9.644 8.548 1.00 0.00 C ATOM 0 HA PRO A 93 8.342 11.798 10.912 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.973 11.381 9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.107 10.159 10.899 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.452 10.409 7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.553 8.976 8.922 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.328 9.484 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.209 8.757 9.083 1.00 0.00 H new ATOM 1412 N ARG A 94 8.826 13.285 8.157 1.00 0.00 N ATOM 1413 CA ARG A 94 9.097 14.588 7.553 1.00 0.00 C ATOM 1414 C ARG A 94 8.339 15.694 8.274 1.00 0.00 C ATOM 1415 O ARG A 94 8.875 16.775 8.508 1.00 0.00 O ATOM 1416 CB ARG A 94 8.704 14.590 6.078 1.00 0.00 C ATOM 1417 CG ARG A 94 9.709 13.901 5.180 1.00 0.00 C ATOM 1418 CD ARG A 94 11.038 14.634 5.164 1.00 0.00 C ATOM 1419 NE ARG A 94 11.938 14.091 4.154 1.00 0.00 N ATOM 1420 CZ ARG A 94 13.218 14.429 4.029 1.00 0.00 C ATOM 1421 NH1 ARG A 94 13.760 15.318 4.855 1.00 0.00 N ATOM 1422 NH2 ARG A 94 13.953 13.876 3.078 1.00 0.00 N ATOM 0 H ARG A 94 8.378 12.616 7.531 1.00 0.00 H new ATOM 0 HA ARG A 94 10.167 14.774 7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.736 14.101 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.579 15.621 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.861 12.877 5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.312 13.843 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.868 15.693 4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.506 14.562 6.146 1.00 0.00 H new ATOM 0 HE ARG A 94 11.561 13.406 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.194 15.744 5.589 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.742 15.574 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.537 13.193 2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.935 14.132 2.979 1.00 0.00 H new ATOM 1436 N ASN A 95 7.090 15.417 8.618 1.00 0.00 N ATOM 1437 CA ASN A 95 6.258 16.397 9.305 1.00 0.00 C ATOM 1438 C ASN A 95 5.733 15.837 10.616 1.00 0.00 C ATOM 1439 O ASN A 95 4.945 16.488 11.302 1.00 0.00 O ATOM 1440 CB ASN A 95 5.078 16.820 8.425 1.00 0.00 C ATOM 1441 CG ASN A 95 5.510 17.443 7.114 1.00 0.00 C ATOM 1442 OD1 ASN A 95 5.585 16.768 6.086 1.00 0.00 O ATOM 1443 ND2 ASN A 95 5.801 18.732 7.139 1.00 0.00 N ATOM 0 H ASN A 95 6.630 14.525 8.434 1.00 0.00 H new ATOM 0 HA ASN A 95 6.879 17.268 9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.455 15.949 8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.460 17.532 8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.101 19.204 6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.726 19.255 8.011 1.00 0.00 H new ATOM 1450 N LEU A 96 6.180 14.625 10.953 1.00 0.00 N ATOM 1451 CA LEU A 96 5.762 13.945 12.179 1.00 0.00 C ATOM 1452 C LEU A 96 4.242 13.811 12.216 1.00 0.00 C ATOM 1453 O LEU A 96 3.609 13.985 13.257 1.00 0.00 O ATOM 1454 CB LEU A 96 6.269 14.698 13.415 1.00 0.00 C ATOM 1455 CG LEU A 96 7.793 14.828 13.519 1.00 0.00 C ATOM 1456 CD1 LEU A 96 8.172 15.725 14.687 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.437 13.457 13.671 1.00 0.00 C ATOM 0 H LEU A 96 6.838 14.090 10.386 1.00 0.00 H new ATOM 0 HA LEU A 96 6.199 12.946 12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.834 15.697 13.416 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.902 14.190 14.307 1.00 0.00 H new ATOM 0 HG LEU A 96 8.163 15.282 12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.257 15.806 14.746 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.741 16.715 14.540 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.789 15.297 15.614 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.519 13.569 13.743 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.061 12.976 14.574 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.193 12.842 12.805 1.00 0.00 H new ATOM 1469 N GLN A 97 3.671 13.482 11.066 1.00 0.00 N ATOM 1470 CA GLN A 97 2.229 13.339 10.933 1.00 0.00 C ATOM 1471 C GLN A 97 1.898 12.180 9.995 1.00 0.00 C ATOM 1472 O GLN A 97 2.778 11.684 9.286 1.00 0.00 O ATOM 1473 CB GLN A 97 1.631 14.644 10.395 1.00 0.00 C ATOM 1474 CG GLN A 97 2.031 14.952 8.961 1.00 0.00 C ATOM 1475 CD GLN A 97 1.298 16.153 8.399 1.00 0.00 C ATOM 1476 OE1 GLN A 97 0.962 17.087 9.125 1.00 0.00 O ATOM 1477 NE2 GLN A 97 1.032 16.132 7.106 1.00 0.00 N ATOM 0 H GLN A 97 4.190 13.308 10.205 1.00 0.00 H new ATOM 0 HA GLN A 97 1.799 13.125 11.911 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.544 14.588 10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.944 15.468 11.036 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.105 15.133 8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.829 14.082 8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.328 15.339 6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.531 16.909 6.676 1.00 0.00 H new ATOM 1486 N PRO A 98 0.635 11.722 9.987 1.00 0.00 N ATOM 1487 CA PRO A 98 0.199 10.628 9.114 1.00 0.00 C ATOM 1488 C PRO A 98 0.367 10.972 7.635 1.00 0.00 C ATOM 1489 O PRO A 98 0.074 12.091 7.205 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.284 10.457 9.452 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.452 11.089 10.790 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.462 12.213 10.839 1.00 0.00 C ATOM 0 HA PRO A 98 0.789 9.725 9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.916 10.939 8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.564 9.404 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.469 11.458 10.923 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.267 10.370 11.588 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.886 13.142 10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.126 12.411 11.857 1.00 0.00 H new ATOM 1500 N GLN A 99 0.846 10.013 6.862 1.00 0.00 N ATOM 1501 CA GLN A 99 1.055 10.220 5.441 1.00 0.00 C ATOM 1502 C GLN A 99 -0.110 9.639 4.644 1.00 0.00 C ATOM 1503 O GLN A 99 -1.064 10.349 4.316 1.00 0.00 O ATOM 1504 CB GLN A 99 2.386 9.594 5.012 1.00 0.00 C ATOM 1505 CG GLN A 99 2.770 9.872 3.567 1.00 0.00 C ATOM 1506 CD GLN A 99 2.858 11.351 3.250 1.00 0.00 C ATOM 1507 OE1 GLN A 99 3.194 12.172 4.108 1.00 0.00 O ATOM 1508 NE2 GLN A 99 2.551 11.698 2.013 1.00 0.00 N ATOM 0 H GLN A 99 1.098 9.083 7.196 1.00 0.00 H new ATOM 0 HA GLN A 99 1.099 11.290 5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.176 9.966 5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.332 8.516 5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.731 9.403 3.356 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.037 9.408 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.278 10.985 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.587 12.679 1.735 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.044 8.350 4.357 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.092 7.686 3.605 1.00 0.00 C ATOM 1519 C CYS A 100 -1.647 6.510 4.394 1.00 0.00 C ATOM 1520 O CYS A 100 -0.917 5.842 5.129 1.00 0.00 O ATOM 1521 CB CYS A 100 -0.554 7.212 2.255 1.00 0.00 C ATOM 1522 SG CYS A 100 0.261 8.508 1.290 1.00 0.00 S ATOM 0 H CYS A 100 0.727 7.742 4.635 1.00 0.00 H new ATOM 0 HA CYS A 100 -1.899 8.398 3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 100 0.153 6.399 2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.378 6.802 1.671 1.00 0.00 H new ATOM 0 HG CYS A 100 1.357 8.039 0.772 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.939 6.267 4.256 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.585 5.172 4.958 1.00 0.00 C ATOM 1530 C ILE A 101 -3.672 3.935 4.073 1.00 0.00 C ATOM 1531 O ILE A 101 -4.341 3.943 3.035 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.001 5.561 5.429 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.937 6.784 6.349 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.666 4.386 6.135 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.294 7.291 6.785 1.00 0.00 C ATOM 0 H ILE A 101 -3.562 6.815 3.663 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.974 4.948 5.832 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.602 5.820 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.352 6.532 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.407 7.586 5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.665 4.676 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.739 3.543 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.070 4.098 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.167 8.158 7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.875 7.576 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.819 6.505 7.328 1.00 0.00 H new ATOM 1547 N MET A 102 -2.981 2.883 4.486 1.00 0.00 N ATOM 1548 CA MET A 102 -2.980 1.622 3.761 1.00 0.00 C ATOM 1549 C MET A 102 -4.247 0.851 4.104 1.00 0.00 C ATOM 1550 O MET A 102 -4.330 0.205 5.149 1.00 0.00 O ATOM 1551 CB MET A 102 -1.739 0.796 4.122 1.00 0.00 C ATOM 1552 CG MET A 102 -0.425 1.490 3.795 1.00 0.00 C ATOM 1553 SD MET A 102 -0.049 1.477 2.030 1.00 0.00 S ATOM 1554 CE MET A 102 0.431 -0.234 1.803 1.00 0.00 C ATOM 0 H MET A 102 -2.408 2.879 5.330 1.00 0.00 H new ATOM 0 HA MET A 102 -2.953 1.821 2.690 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.763 0.567 5.187 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.779 -0.155 3.591 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.467 2.521 4.146 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.384 1.001 4.338 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.462 -0.279 1.453 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.346 -0.765 2.751 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.223 -0.701 1.066 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.239 0.946 3.238 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.510 0.282 3.461 1.00 0.00 C ATOM 1566 C CYS A 103 -6.519 -1.117 2.860 1.00 0.00 C ATOM 1567 O CYS A 103 -6.565 -1.284 1.638 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.640 1.122 2.869 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.485 2.894 3.204 1.00 0.00 S ATOM 0 H CYS A 103 -5.188 1.479 2.370 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.659 0.180 4.536 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.669 0.967 1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.591 0.768 3.268 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.241 3.251 3.084 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.452 -2.115 3.727 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.469 -3.506 3.307 1.00 0.00 C ATOM 1577 C VAL A 104 -7.908 -3.985 3.171 1.00 0.00 C ATOM 1578 O VAL A 104 -8.599 -4.188 4.169 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.720 -4.401 4.318 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.703 -5.852 3.860 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.305 -3.886 4.535 1.00 0.00 C ATOM 0 H VAL A 104 -6.385 -1.984 4.736 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.964 -3.577 2.344 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.253 -4.360 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.169 -6.458 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.726 -6.216 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.202 -5.923 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.790 -4.527 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.766 -3.893 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.344 -2.868 4.923 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.361 -4.148 1.939 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.727 -4.583 1.679 1.00 0.00 C ATOM 1593 C ASN A 105 -9.811 -6.093 1.529 1.00 0.00 C ATOM 1594 O ASN A 105 -9.145 -6.684 0.681 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.283 -3.903 0.428 1.00 0.00 C ATOM 1596 CG ASN A 105 -10.818 -2.514 0.715 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -11.973 -2.348 1.097 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -9.981 -1.503 0.536 1.00 0.00 N ATOM 0 H ASN A 105 -7.803 -3.986 1.101 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.331 -4.292 2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.499 -3.839 -0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.080 -4.517 0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.289 -0.548 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.028 -1.680 0.217 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.634 -6.704 2.363 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.826 -8.143 2.344 1.00 0.00 C ATOM 1607 C TYR A 106 -12.090 -8.496 1.572 1.00 0.00 C ATOM 1608 O TYR A 106 -13.194 -8.121 1.974 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.926 -8.689 3.772 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.672 -8.491 4.592 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.533 -9.243 4.338 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -9.631 -7.559 5.622 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.386 -9.076 5.089 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -8.487 -7.384 6.376 1.00 0.00 C ATOM 1615 CZ TYR A 106 -7.368 -8.146 6.106 1.00 0.00 C ATOM 1616 OH TYR A 106 -6.227 -7.979 6.860 1.00 0.00 O ATOM 0 H TYR A 106 -11.186 -6.218 3.070 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.966 -8.597 1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.760 -8.204 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -11.156 -9.754 3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.544 -9.971 3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.506 -6.963 5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.509 -9.670 4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.468 -6.655 7.173 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.379 -7.285 7.534 1.00 0.00 H new ATOM 1626 N VAL A 107 -11.928 -9.197 0.459 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.063 -9.595 -0.356 1.00 0.00 C ATOM 1628 C VAL A 107 -13.608 -10.938 0.116 1.00 0.00 C ATOM 1629 O VAL A 107 -13.093 -11.995 -0.248 1.00 0.00 O ATOM 1630 CB VAL A 107 -12.687 -9.691 -1.851 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.912 -10.002 -2.696 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -12.019 -8.408 -2.323 1.00 0.00 C ATOM 0 H VAL A 107 -11.022 -9.501 0.101 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.828 -8.827 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.976 -10.508 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.624 -10.065 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.340 -10.953 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.651 -9.211 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.763 -8.498 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.703 -7.570 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.112 -8.235 -1.743 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.625 -10.890 0.962 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.241 -12.105 1.474 1.00 0.00 C ATOM 1644 C LEU A 108 -16.627 -12.291 0.872 1.00 0.00 C ATOM 1645 O LEU A 108 -17.326 -13.264 1.161 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.315 -12.067 3.002 1.00 0.00 C ATOM 1647 CG LEU A 108 -13.974 -12.267 3.712 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.163 -12.296 5.220 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.311 -13.549 3.233 1.00 0.00 C ATOM 0 H LEU A 108 -15.041 -10.025 1.308 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.624 -12.955 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.733 -11.108 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.007 -12.839 3.338 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.325 -11.426 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.197 -12.439 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.599 -11.353 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.829 -13.117 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.358 -13.679 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -13.960 -14.397 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.140 -13.490 2.158 1.00 0.00 H new ATOM 1661 N SER A 109 -17.019 -11.352 0.028 1.00 0.00 N ATOM 1662 CA SER A 109 -18.311 -11.401 -0.633 1.00 0.00 C ATOM 1663 C SER A 109 -18.214 -10.730 -1.998 1.00 0.00 C ATOM 1664 O SER A 109 -17.322 -9.913 -2.230 1.00 0.00 O ATOM 1665 CB SER A 109 -19.376 -10.719 0.227 1.00 0.00 C ATOM 1666 OG SER A 109 -19.478 -11.330 1.506 1.00 0.00 O ATOM 0 H SER A 109 -16.454 -10.539 -0.217 1.00 0.00 H new ATOM 0 HA SER A 109 -18.602 -12.442 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.130 -9.664 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.340 -10.767 -0.279 1.00 0.00 H new ATOM 0 HG SER A 109 -20.165 -10.872 2.034 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.118 -11.084 -2.897 1.00 0.00 N ATOM 1673 CA GLU A 110 -19.121 -10.520 -4.239 1.00 0.00 C ATOM 1674 C GLU A 110 -20.033 -9.302 -4.326 1.00 0.00 C ATOM 1675 O GLU A 110 -20.408 -8.714 -3.309 1.00 0.00 O ATOM 1676 CB GLU A 110 -19.558 -11.574 -5.260 1.00 0.00 C ATOM 1677 CG GLU A 110 -20.933 -12.166 -4.992 1.00 0.00 C ATOM 1678 CD GLU A 110 -20.883 -13.334 -4.032 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -20.980 -13.107 -2.808 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -20.738 -14.482 -4.498 1.00 0.00 O ATOM 0 H GLU A 110 -19.861 -11.761 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.104 -10.201 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.555 -11.125 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -18.824 -12.379 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -21.585 -11.393 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -21.375 -12.492 -5.934 1.00 0.00 H new ATOM 1687 N ILE A 111 -20.383 -8.933 -5.554 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.247 -7.789 -5.802 1.00 0.00 C ATOM 1689 C ILE A 111 -22.689 -8.116 -5.438 1.00 0.00 C ATOM 1690 O ILE A 111 -23.207 -9.174 -5.802 1.00 0.00 O ATOM 1691 CB ILE A 111 -21.200 -7.354 -7.283 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.784 -7.495 -7.843 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.689 -5.919 -7.429 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -19.742 -7.587 -9.352 1.00 0.00 C ATOM 0 H ILE A 111 -20.077 -9.416 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 111 -20.881 -6.973 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.860 -8.007 -7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.187 -6.641 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.320 -8.386 -7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.650 -5.626 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.715 -5.846 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.052 -5.256 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -18.708 -7.685 -9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -20.312 -8.457 -9.679 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -20.176 -6.685 -9.784 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.317 -7.218 -4.704 1.00 0.00 N ATOM 1707 CA GLU A 112 -24.697 -7.380 -4.295 1.00 0.00 C ATOM 1708 C GLU A 112 -25.590 -6.499 -5.155 1.00 0.00 C ATOM 1709 O GLU A 112 -25.435 -5.259 -5.104 1.00 0.00 O ATOM 1710 CB GLU A 112 -24.860 -7.018 -2.819 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.258 -7.259 -2.278 1.00 0.00 C ATOM 1712 CD GLU A 112 -26.502 -6.523 -0.983 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.826 -5.319 -1.032 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -26.351 -7.137 0.092 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.436 -7.048 -5.888 1.00 0.00 O ATOM 0 H GLU A 112 -22.884 -6.355 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 112 -24.988 -8.422 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -24.149 -7.599 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -24.604 -5.967 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -26.992 -6.942 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -26.406 -8.327 -2.120 1.00 0.00 H new ATOM 1723 N CYS B 7 2.653 16.016 -9.220 1.00 1.33 N ATOM 1724 CA CYS B 7 3.422 16.249 -7.980 1.00 1.38 C ATOM 1725 C CYS B 7 3.342 15.025 -7.082 1.00 1.15 C ATOM 1726 O CYS B 7 2.272 14.684 -6.579 1.00 1.28 O ATOM 1727 CB CYS B 7 2.884 17.479 -7.247 1.00 1.79 C ATOM 1728 SG CYS B 7 3.028 19.013 -8.189 1.00 2.58 S ATOM 0 HA CYS B 7 4.465 16.428 -8.240 1.00 1.38 H new ATOM 0 HB2 CYS B 7 1.835 17.313 -7.000 1.00 1.79 H new ATOM 0 HB3 CYS B 7 3.420 17.591 -6.304 1.00 1.79 H new ATOM 0 HG CYS B 7 2.546 19.998 -7.491 1.00 2.58 H new ATOM 1736 N GLN B 8 4.471 14.358 -6.893 1.00 0.90 N ATOM 1737 CA GLN B 8 4.515 13.164 -6.065 1.00 0.76 C ATOM 1738 C GLN B 8 5.449 13.363 -4.881 1.00 0.65 C ATOM 1739 O GLN B 8 6.460 14.062 -4.990 1.00 0.64 O ATOM 1740 CB GLN B 8 4.972 11.956 -6.887 1.00 0.71 C ATOM 1741 CG GLN B 8 3.997 11.544 -7.980 1.00 0.89 C ATOM 1742 CD GLN B 8 2.584 11.330 -7.466 1.00 1.17 C ATOM 1743 OE1 GLN B 8 2.376 10.956 -6.312 1.00 1.79 O ATOM 1744 NE2 GLN B 8 1.605 11.568 -8.320 1.00 1.90 N ATOM 0 H GLN B 8 5.367 14.624 -7.301 1.00 0.90 H new ATOM 0 HA GLN B 8 3.508 12.978 -5.691 1.00 0.76 H new ATOM 0 HB2 GLN B 8 5.936 12.183 -7.342 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.127 11.111 -6.216 1.00 0.71 H new ATOM 0 HG2 GLN B 8 3.983 12.311 -8.755 1.00 0.89 H new ATOM 0 HG3 GLN B 8 4.351 10.625 -8.447 1.00 0.89 H new ATOM 0 HE21 GLN B 8 1.819 11.877 -9.268 1.00 1.90 H new ATOM 0 HE22 GLN B 8 0.635 11.443 -8.031 1.00 1.90 H new ATOM 1753 N PRO B 9 5.115 12.763 -3.733 1.00 0.64 N ATOM 1754 CA PRO B 9 5.925 12.857 -2.529 1.00 0.56 C ATOM 1755 C PRO B 9 7.022 11.795 -2.500 1.00 0.44 C ATOM 1756 O PRO B 9 7.095 10.931 -3.378 1.00 0.38 O ATOM 1757 CB PRO B 9 4.906 12.611 -1.419 1.00 0.61 C ATOM 1758 CG PRO B 9 3.903 11.686 -2.024 1.00 0.75 C ATOM 1759 CD PRO B 9 3.906 11.946 -3.513 1.00 0.77 C ATOM 0 HA PRO B 9 6.448 13.809 -2.444 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.376 12.167 -0.541 1.00 0.61 H new ATOM 0 HB3 PRO B 9 4.441 13.542 -1.095 1.00 0.61 H new ATOM 0 HG2 PRO B 9 4.159 10.648 -1.813 1.00 0.75 H new ATOM 0 HG3 PRO B 9 2.913 11.862 -1.604 1.00 0.75 H new ATOM 0 HD2 PRO B 9 3.945 11.016 -4.080 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.006 12.474 -3.827 1.00 0.77 H new ATOM 1767 N THR B 10 7.867 11.849 -1.485 1.00 0.43 N ATOM 1768 CA THR B 10 8.953 10.892 -1.344 1.00 0.37 C ATOM 1769 C THR B 10 8.488 9.642 -0.599 1.00 0.31 C ATOM 1770 O THR B 10 9.141 9.176 0.340 1.00 0.39 O ATOM 1771 CB THR B 10 10.141 11.529 -0.611 1.00 0.46 C ATOM 1772 OG1 THR B 10 9.783 12.852 -0.183 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.363 11.598 -1.515 1.00 0.62 C ATOM 0 H THR B 10 7.822 12.548 -0.743 1.00 0.43 H new ATOM 0 HA THR B 10 9.272 10.598 -2.344 1.00 0.37 H new ATOM 0 HB THR B 10 10.387 10.913 0.254 1.00 0.46 H new ATOM 0 HG1 THR B 10 9.209 12.795 0.610 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.192 12.053 -0.973 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.643 10.592 -1.826 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.131 12.199 -2.395 1.00 0.62 H new ATOM 1781 N GLU B 11 7.358 9.104 -1.039 1.00 0.30 N ATOM 1782 CA GLU B 11 6.775 7.913 -0.443 1.00 0.31 C ATOM 1783 C GLU B 11 6.075 7.095 -1.522 1.00 0.27 C ATOM 1784 O GLU B 11 5.253 7.624 -2.270 1.00 0.31 O ATOM 1785 CB GLU B 11 5.774 8.293 0.658 1.00 0.45 C ATOM 1786 CG GLU B 11 5.201 7.097 1.404 1.00 1.13 C ATOM 1787 CD GLU B 11 3.688 7.140 1.523 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.020 7.635 0.591 1.00 1.83 O ATOM 1789 OE2 GLU B 11 3.155 6.663 2.543 1.00 1.65 O ATOM 0 H GLU B 11 6.821 9.482 -1.819 1.00 0.30 H new ATOM 0 HA GLU B 11 7.571 7.319 0.006 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.266 8.953 1.372 1.00 0.45 H new ATOM 0 HB3 GLU B 11 4.955 8.858 0.213 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.493 6.181 0.890 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.637 7.056 2.402 1.00 1.13 H new ATOM 1796 N PHE B 12 6.415 5.820 -1.617 1.00 0.30 N ATOM 1797 CA PHE B 12 5.806 4.944 -2.607 1.00 0.30 C ATOM 1798 C PHE B 12 5.800 3.509 -2.105 1.00 0.27 C ATOM 1799 O PHE B 12 6.576 3.154 -1.223 1.00 0.33 O ATOM 1800 CB PHE B 12 6.553 5.033 -3.946 1.00 0.35 C ATOM 1801 CG PHE B 12 7.927 4.415 -3.940 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.021 5.127 -3.476 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.123 3.126 -4.410 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.284 4.565 -3.479 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.383 2.560 -4.417 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.464 3.280 -3.951 1.00 0.40 C ATOM 0 H PHE B 12 7.109 5.368 -1.022 1.00 0.30 H new ATOM 0 HA PHE B 12 4.777 5.268 -2.765 1.00 0.30 H new ATOM 0 HB2 PHE B 12 5.953 4.546 -4.715 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.642 6.082 -4.228 1.00 0.35 H new ATOM 0 HD1 PHE B 12 8.886 6.133 -3.108 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.281 2.557 -4.775 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.128 5.130 -3.113 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.522 1.555 -4.787 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.450 2.839 -3.955 1.00 0.40 H new ATOM 1816 N ILE B 13 4.930 2.683 -2.661 1.00 0.27 N ATOM 1817 CA ILE B 13 4.859 1.292 -2.251 1.00 0.27 C ATOM 1818 C ILE B 13 5.274 0.381 -3.394 1.00 0.29 C ATOM 1819 O ILE B 13 5.243 0.776 -4.559 1.00 0.35 O ATOM 1820 CB ILE B 13 3.450 0.891 -1.767 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.422 1.055 -2.888 1.00 0.98 C ATOM 1822 CG2 ILE B 13 3.054 1.715 -0.553 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.101 0.376 -2.597 1.00 1.40 C ATOM 0 H ILE B 13 4.269 2.948 -3.391 1.00 0.27 H new ATOM 0 HA ILE B 13 5.546 1.177 -1.413 1.00 0.27 H new ATOM 0 HB ILE B 13 3.472 -0.160 -1.481 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.246 2.117 -3.057 1.00 0.98 H new ATOM 0 HG13 ILE B 13 2.835 0.649 -3.812 1.00 0.98 H new ATOM 0 HG21 ILE B 13 2.058 1.421 -0.223 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.768 1.543 0.252 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.051 2.773 -0.816 1.00 0.85 H new ATOM 0 HD11 ILE B 13 0.419 0.533 -3.433 1.00 1.40 H new ATOM 0 HD12 ILE B 13 1.264 -0.693 -2.457 1.00 1.40 H new ATOM 0 HD13 ILE B 13 0.667 0.798 -1.691 1.00 1.40 H new ATOM 1835 N SER B 14 5.682 -0.827 -3.061 1.00 0.34 N ATOM 1836 CA SER B 14 6.097 -1.782 -4.066 1.00 0.42 C ATOM 1837 C SER B 14 5.485 -3.149 -3.793 1.00 0.35 C ATOM 1838 O SER B 14 5.777 -3.781 -2.777 1.00 0.40 O ATOM 1839 CB SER B 14 7.620 -1.877 -4.094 1.00 0.54 C ATOM 1840 OG SER B 14 8.205 -0.589 -4.015 1.00 1.47 O ATOM 0 H SER B 14 5.735 -1.170 -2.102 1.00 0.34 H new ATOM 0 HA SER B 14 5.745 -1.440 -5.039 1.00 0.42 H new ATOM 0 HB2 SER B 14 7.966 -2.490 -3.262 1.00 0.54 H new ATOM 0 HB3 SER B 14 7.941 -2.372 -5.010 1.00 0.54 H new ATOM 0 HG SER B 14 9.181 -0.671 -4.033 1.00 1.47 H new ATOM 1846 N ARG B 15 4.617 -3.588 -4.691 1.00 0.31 N ATOM 1847 CA ARG B 15 3.975 -4.884 -4.561 1.00 0.31 C ATOM 1848 C ARG B 15 4.914 -5.953 -5.097 1.00 0.27 C ATOM 1849 O ARG B 15 5.148 -6.038 -6.305 1.00 0.29 O ATOM 1850 CB ARG B 15 2.644 -4.914 -5.324 1.00 0.42 C ATOM 1851 CG ARG B 15 1.595 -3.965 -4.766 1.00 0.54 C ATOM 1852 CD ARG B 15 0.785 -3.313 -5.876 1.00 0.90 C ATOM 1853 NE ARG B 15 -0.425 -4.068 -6.214 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.671 -4.584 -7.419 1.00 1.85 C ATOM 1855 NH1 ARG B 15 0.224 -4.463 -8.387 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.815 -5.212 -7.651 1.00 2.69 N ATOM 0 H ARG B 15 4.341 -3.062 -5.520 1.00 0.31 H new ATOM 0 HA ARG B 15 3.760 -5.074 -3.510 1.00 0.31 H new ATOM 0 HB2 ARG B 15 2.829 -4.663 -6.368 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.248 -5.929 -5.306 1.00 0.42 H new ATOM 0 HG2 ARG B 15 0.927 -4.511 -4.100 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.082 -3.194 -4.168 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.505 -2.305 -5.571 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.408 -3.216 -6.765 1.00 0.90 H new ATOM 0 HE ARG B 15 -1.122 -4.207 -5.482 1.00 1.40 H new ATOM 0 HH11 ARG B 15 1.102 -3.975 -8.211 1.00 2.03 H new ATOM 0 HH12 ARG B 15 0.035 -4.858 -9.308 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -2.508 -5.301 -6.908 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.002 -5.606 -8.573 1.00 2.69 H new ATOM 1870 N HIS B 16 5.488 -6.733 -4.198 1.00 0.28 N ATOM 1871 CA HIS B 16 6.412 -7.783 -4.595 1.00 0.28 C ATOM 1872 C HIS B 16 6.121 -9.075 -3.851 1.00 0.32 C ATOM 1873 O HIS B 16 5.552 -9.057 -2.759 1.00 0.40 O ATOM 1874 CB HIS B 16 7.867 -7.352 -4.358 1.00 0.32 C ATOM 1875 CG HIS B 16 8.240 -7.148 -2.918 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.490 -8.186 -2.043 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.426 -6.012 -2.209 1.00 0.75 C ATOM 1878 CE1 HIS B 16 8.813 -7.695 -0.863 1.00 0.46 C ATOM 1879 NE2 HIS B 16 8.781 -6.379 -0.937 1.00 0.61 N ATOM 0 H HIS B 16 5.332 -6.661 -3.193 1.00 0.28 H new ATOM 0 HA HIS B 16 6.272 -7.960 -5.661 1.00 0.28 H new ATOM 0 HB2 HIS B 16 8.528 -8.106 -4.786 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.048 -6.424 -4.900 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.434 -9.178 -2.273 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.315 -5.003 -2.577 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.062 -8.273 0.015 1.00 0.46 H new ATOM 1888 N ASN B 17 6.537 -10.185 -4.438 1.00 0.31 N ATOM 1889 CA ASN B 17 6.330 -11.496 -3.842 1.00 0.39 C ATOM 1890 C ASN B 17 7.190 -11.666 -2.590 1.00 0.35 C ATOM 1891 O ASN B 17 8.042 -10.822 -2.289 1.00 0.32 O ATOM 1892 CB ASN B 17 6.640 -12.603 -4.861 1.00 0.49 C ATOM 1893 CG ASN B 17 8.028 -12.489 -5.472 1.00 0.95 C ATOM 1894 OD1 ASN B 17 8.977 -12.037 -4.829 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.154 -12.900 -6.722 1.00 0.59 N ATOM 0 H ASN B 17 7.024 -10.204 -5.334 1.00 0.31 H new ATOM 0 HA ASN B 17 5.283 -11.576 -3.549 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.544 -13.573 -4.373 1.00 0.49 H new ATOM 0 HB3 ASN B 17 5.897 -12.572 -5.658 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.061 -12.849 -7.187 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.345 -13.268 -7.222 1.00 0.59 H new ATOM 1902 N ILE B 18 6.973 -12.759 -1.870 1.00 0.40 N ATOM 1903 CA ILE B 18 7.722 -13.042 -0.644 1.00 0.45 C ATOM 1904 C ILE B 18 9.197 -13.320 -0.928 1.00 0.44 C ATOM 1905 O ILE B 18 10.026 -13.299 -0.020 1.00 0.52 O ATOM 1906 CB ILE B 18 7.129 -14.241 0.120 1.00 0.53 C ATOM 1907 CG1 ILE B 18 6.988 -15.453 -0.807 1.00 0.59 C ATOM 1908 CG2 ILE B 18 5.788 -13.863 0.727 1.00 0.57 C ATOM 1909 CD1 ILE B 18 6.543 -16.713 -0.097 1.00 0.70 C ATOM 0 H ILE B 18 6.282 -13.469 -2.112 1.00 0.40 H new ATOM 0 HA ILE B 18 7.641 -12.146 -0.028 1.00 0.45 H new ATOM 0 HB ILE B 18 7.808 -14.513 0.928 1.00 0.53 H new ATOM 0 HG12 ILE B 18 6.271 -15.217 -1.593 1.00 0.59 H new ATOM 0 HG13 ILE B 18 7.945 -15.640 -1.294 1.00 0.59 H new ATOM 0 HG21 ILE B 18 5.378 -14.718 1.265 1.00 0.57 H new ATOM 0 HG22 ILE B 18 5.923 -13.031 1.418 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.100 -13.569 -0.065 1.00 0.57 H new ATOM 0 HD11 ILE B 18 6.465 -17.528 -0.817 1.00 0.70 H new ATOM 0 HD12 ILE B 18 7.271 -16.975 0.670 1.00 0.70 H new ATOM 0 HD13 ILE B 18 5.571 -16.545 0.367 1.00 0.70 H new ATOM 1921 N GLU B 19 9.514 -13.582 -2.189 1.00 0.41 N ATOM 1922 CA GLU B 19 10.885 -13.859 -2.591 1.00 0.45 C ATOM 1923 C GLU B 19 11.722 -12.590 -2.544 1.00 0.41 C ATOM 1924 O GLU B 19 12.900 -12.616 -2.185 1.00 0.51 O ATOM 1925 CB GLU B 19 10.920 -14.427 -4.007 1.00 0.50 C ATOM 1926 CG GLU B 19 10.099 -15.686 -4.186 1.00 0.65 C ATOM 1927 CD GLU B 19 10.141 -16.194 -5.609 1.00 1.21 C ATOM 1928 OE1 GLU B 19 11.247 -16.514 -6.095 1.00 1.28 O ATOM 1929 OE2 GLU B 19 9.069 -16.278 -6.244 1.00 1.92 O ATOM 0 H GLU B 19 8.838 -13.608 -2.952 1.00 0.41 H new ATOM 0 HA GLU B 19 11.298 -14.590 -1.896 1.00 0.45 H new ATOM 0 HB2 GLU B 19 10.558 -13.668 -4.701 1.00 0.50 H new ATOM 0 HB3 GLU B 19 11.955 -14.639 -4.277 1.00 0.50 H new ATOM 0 HG2 GLU B 19 10.471 -16.460 -3.514 1.00 0.65 H new ATOM 0 HG3 GLU B 19 9.065 -15.488 -3.903 1.00 0.65 H new ATOM 1936 N GLY B 20 11.103 -11.481 -2.910 1.00 0.33 N ATOM 1937 CA GLY B 20 11.798 -10.215 -2.922 1.00 0.32 C ATOM 1938 C GLY B 20 11.833 -9.622 -4.311 1.00 0.29 C ATOM 1939 O GLY B 20 12.388 -8.545 -4.522 1.00 0.34 O ATOM 0 H GLY B 20 10.126 -11.436 -3.200 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.306 -9.521 -2.240 1.00 0.32 H new ATOM 0 HA3 GLY B 20 12.816 -10.353 -2.557 1.00 0.32 H new ATOM 1943 N ILE B 21 11.234 -10.337 -5.259 1.00 0.27 N ATOM 1944 CA ILE B 21 11.185 -9.892 -6.644 1.00 0.28 C ATOM 1945 C ILE B 21 10.023 -8.927 -6.826 1.00 0.27 C ATOM 1946 O ILE B 21 8.878 -9.264 -6.513 1.00 0.31 O ATOM 1947 CB ILE B 21 10.997 -11.071 -7.629 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.621 -12.367 -7.084 1.00 0.37 C ATOM 1949 CG2 ILE B 21 11.585 -10.723 -8.990 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.136 -12.365 -7.047 1.00 0.47 C ATOM 0 H ILE B 21 10.774 -11.232 -5.090 1.00 0.27 H new ATOM 0 HA ILE B 21 12.137 -9.408 -6.863 1.00 0.28 H new ATOM 0 HB ILE B 21 9.927 -11.244 -7.743 1.00 0.32 H new ATOM 0 HG12 ILE B 21 11.245 -12.541 -6.076 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.286 -13.203 -7.698 1.00 0.37 H new ATOM 0 HG21 ILE B 21 11.445 -11.562 -9.672 1.00 0.41 H new ATOM 0 HG22 ILE B 21 11.082 -9.843 -9.390 1.00 0.41 H new ATOM 0 HG23 ILE B 21 12.650 -10.515 -8.884 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.492 -13.316 -6.650 1.00 0.47 H new ATOM 0 HD12 ILE B 21 13.524 -12.225 -8.056 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.483 -11.553 -6.409 1.00 0.47 H new ATOM 1962 N PHE B 22 10.314 -7.729 -7.308 1.00 0.25 N ATOM 1963 CA PHE B 22 9.279 -6.728 -7.520 1.00 0.27 C ATOM 1964 C PHE B 22 8.342 -7.142 -8.649 1.00 0.28 C ATOM 1965 O PHE B 22 8.772 -7.335 -9.788 1.00 0.35 O ATOM 1966 CB PHE B 22 9.896 -5.366 -7.837 1.00 0.31 C ATOM 1967 CG PHE B 22 10.575 -4.716 -6.667 1.00 0.33 C ATOM 1968 CD1 PHE B 22 9.854 -4.365 -5.539 1.00 0.36 C ATOM 1969 CD2 PHE B 22 11.933 -4.444 -6.700 1.00 0.38 C ATOM 1970 CE1 PHE B 22 10.474 -3.757 -4.466 1.00 0.44 C ATOM 1971 CE2 PHE B 22 12.556 -3.833 -5.631 1.00 0.45 C ATOM 1972 CZ PHE B 22 11.826 -3.489 -4.512 1.00 0.46 C ATOM 0 H PHE B 22 11.255 -7.426 -7.559 1.00 0.25 H new ATOM 0 HA PHE B 22 8.704 -6.649 -6.597 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.619 -5.485 -8.643 1.00 0.31 H new ATOM 0 HB3 PHE B 22 9.114 -4.702 -8.206 1.00 0.31 H new ATOM 0 HD1 PHE B 22 8.794 -4.569 -5.498 1.00 0.36 H new ATOM 0 HD2 PHE B 22 12.510 -4.713 -7.572 1.00 0.38 H new ATOM 0 HE1 PHE B 22 9.900 -3.491 -3.590 1.00 0.44 H new ATOM 0 HE2 PHE B 22 13.615 -3.624 -5.670 1.00 0.45 H new ATOM 0 HZ PHE B 22 12.312 -3.011 -3.674 1.00 0.46 H new ATOM 1982 N THR B 23 7.069 -7.299 -8.318 1.00 0.27 N ATOM 1983 CA THR B 23 6.062 -7.675 -9.297 1.00 0.30 C ATOM 1984 C THR B 23 5.464 -6.429 -9.942 1.00 0.27 C ATOM 1985 O THR B 23 5.271 -6.373 -11.156 1.00 0.33 O ATOM 1986 CB THR B 23 4.945 -8.513 -8.645 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.523 -9.470 -7.741 1.00 1.35 O ATOM 1988 CG2 THR B 23 4.120 -9.241 -9.699 1.00 1.14 C ATOM 0 H THR B 23 6.708 -7.171 -7.373 1.00 0.27 H new ATOM 0 HA THR B 23 6.545 -8.281 -10.064 1.00 0.30 H new ATOM 0 HB THR B 23 4.286 -7.838 -8.098 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.811 -10.000 -7.327 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.339 -9.824 -9.211 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.663 -8.513 -10.370 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.766 -9.907 -10.271 1.00 1.14 H new ATOM 1996 N PHE B 24 5.181 -5.426 -9.117 1.00 0.25 N ATOM 1997 CA PHE B 24 4.625 -4.171 -9.597 1.00 0.28 C ATOM 1998 C PHE B 24 4.908 -3.053 -8.601 1.00 0.26 C ATOM 1999 O PHE B 24 4.503 -3.122 -7.439 1.00 0.27 O ATOM 2000 CB PHE B 24 3.117 -4.293 -9.828 1.00 0.36 C ATOM 2001 CG PHE B 24 2.520 -3.094 -10.511 1.00 0.46 C ATOM 2002 CD1 PHE B 24 2.558 -2.978 -11.890 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.923 -2.083 -9.773 1.00 0.51 C ATOM 2004 CE1 PHE B 24 2.013 -1.877 -12.521 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.376 -0.980 -10.399 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.421 -0.877 -11.775 1.00 0.70 C ATOM 0 H PHE B 24 5.329 -5.461 -8.108 1.00 0.25 H new ATOM 0 HA PHE B 24 5.101 -3.932 -10.548 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.919 -5.181 -10.429 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.620 -4.441 -8.869 1.00 0.36 H new ATOM 0 HD1 PHE B 24 3.019 -3.757 -12.479 1.00 0.59 H new ATOM 0 HD2 PHE B 24 1.885 -2.159 -8.696 1.00 0.51 H new ATOM 0 HE1 PHE B 24 2.050 -1.798 -13.597 1.00 0.71 H new ATOM 0 HE2 PHE B 24 0.914 -0.199 -9.813 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.994 -0.016 -12.267 1.00 0.70 H new ATOM 2016 N VAL B 25 5.605 -2.028 -9.057 1.00 0.26 N ATOM 2017 CA VAL B 25 5.944 -0.895 -8.210 1.00 0.27 C ATOM 2018 C VAL B 25 5.040 0.292 -8.523 1.00 0.26 C ATOM 2019 O VAL B 25 4.759 0.576 -9.689 1.00 0.25 O ATOM 2020 CB VAL B 25 7.422 -0.488 -8.389 1.00 0.34 C ATOM 2021 CG1 VAL B 25 7.782 0.692 -7.496 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.334 -1.673 -8.107 1.00 0.78 C ATOM 0 H VAL B 25 5.950 -1.955 -10.014 1.00 0.26 H new ATOM 0 HA VAL B 25 5.793 -1.197 -7.174 1.00 0.27 H new ATOM 0 HB VAL B 25 7.564 -0.176 -9.424 1.00 0.34 H new ATOM 0 HG11 VAL B 25 8.829 0.955 -7.645 1.00 0.74 H new ATOM 0 HG12 VAL B 25 7.154 1.546 -7.750 1.00 0.74 H new ATOM 0 HG13 VAL B 25 7.621 0.421 -6.453 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.373 -1.371 -8.237 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.181 -2.015 -7.083 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.102 -2.483 -8.798 1.00 0.78 H new ATOM 2032 N ASP B 26 4.576 0.966 -7.477 1.00 0.27 N ATOM 2033 CA ASP B 26 3.706 2.123 -7.631 1.00 0.29 C ATOM 2034 C ASP B 26 4.446 3.254 -8.337 1.00 0.24 C ATOM 2035 O ASP B 26 5.627 3.507 -8.076 1.00 0.22 O ATOM 2036 CB ASP B 26 3.182 2.577 -6.263 1.00 0.39 C ATOM 2037 CG ASP B 26 2.591 3.978 -6.263 1.00 0.48 C ATOM 2038 OD1 ASP B 26 1.787 4.308 -7.165 1.00 0.72 O ATOM 2039 OD2 ASP B 26 2.915 4.750 -5.344 1.00 0.78 O ATOM 0 H ASP B 26 4.790 0.728 -6.508 1.00 0.27 H new ATOM 0 HA ASP B 26 2.852 1.843 -8.247 1.00 0.29 H new ATOM 0 HB2 ASP B 26 2.422 1.873 -5.924 1.00 0.39 H new ATOM 0 HB3 ASP B 26 3.998 2.537 -5.541 1.00 0.39 H new ATOM 2044 N HIS B 27 3.742 3.909 -9.245 1.00 0.26 N ATOM 2045 CA HIS B 27 4.290 5.014 -10.028 1.00 0.26 C ATOM 2046 C HIS B 27 4.513 6.257 -9.165 1.00 0.23 C ATOM 2047 O HIS B 27 3.800 7.254 -9.293 1.00 0.26 O ATOM 2048 CB HIS B 27 3.371 5.353 -11.213 1.00 0.34 C ATOM 2049 CG HIS B 27 1.912 5.049 -10.994 1.00 0.50 C ATOM 2050 ND1 HIS B 27 1.265 5.214 -9.782 1.00 0.70 N ATOM 2051 CD2 HIS B 27 0.979 4.566 -11.846 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.004 4.845 -9.906 1.00 0.86 C ATOM 2053 NE2 HIS B 27 -0.197 4.452 -11.148 1.00 0.83 N ATOM 0 H HIS B 27 2.770 3.692 -9.464 1.00 0.26 H new ATOM 0 HA HIS B 27 5.257 4.690 -10.413 1.00 0.26 H new ATOM 0 HB2 HIS B 27 3.475 6.413 -11.443 1.00 0.34 H new ATOM 0 HB3 HIS B 27 3.714 4.802 -12.089 1.00 0.34 H new ATOM 0 HD2 HIS B 27 1.132 4.316 -12.885 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -0.738 4.862 -9.122 1.00 0.86 H new ATOM 0 HE2 HIS B 27 -1.082 4.118 -11.528 1.00 0.83 H new ATOM 2062 N ARG B 28 5.494 6.178 -8.281 1.00 0.24 N ATOM 2063 CA ARG B 28 5.834 7.283 -7.394 1.00 0.27 C ATOM 2064 C ARG B 28 7.328 7.270 -7.085 1.00 0.24 C ATOM 2065 O ARG B 28 7.900 8.279 -6.668 1.00 0.28 O ATOM 2066 CB ARG B 28 5.036 7.175 -6.097 1.00 0.35 C ATOM 2067 CG ARG B 28 4.480 8.497 -5.602 1.00 0.48 C ATOM 2068 CD ARG B 28 3.286 8.283 -4.687 1.00 0.56 C ATOM 2069 NE ARG B 28 2.360 7.287 -5.224 1.00 0.99 N ATOM 2070 CZ ARG B 28 1.131 7.558 -5.655 1.00 1.26 C ATOM 2071 NH1 ARG B 28 0.662 8.799 -5.614 1.00 1.61 N ATOM 2072 NH2 ARG B 28 0.377 6.583 -6.148 1.00 1.87 N ATOM 0 H ARG B 28 6.076 5.350 -8.157 1.00 0.24 H new ATOM 0 HA ARG B 28 5.584 8.221 -7.890 1.00 0.27 H new ATOM 0 HB2 ARG B 28 4.211 6.479 -6.247 1.00 0.35 H new ATOM 0 HB3 ARG B 28 5.675 6.749 -5.324 1.00 0.35 H new ATOM 0 HG2 ARG B 28 5.257 9.044 -5.068 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.184 9.111 -6.452 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.634 7.963 -3.705 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.762 9.228 -4.547 1.00 0.56 H new ATOM 0 HE ARG B 28 2.678 6.319 -5.271 1.00 0.99 H new ATOM 0 HH11 ARG B 28 1.245 9.553 -5.250 1.00 1.61 H new ATOM 0 HH12 ARG B 28 -0.281 8.999 -5.946 1.00 1.61 H new ATOM 0 HH21 ARG B 28 0.741 5.631 -6.195 1.00 1.87 H new ATOM 0 HH22 ARG B 28 -0.566 6.786 -6.480 1.00 1.87 H new ATOM 2086 N CYS B 29 7.958 6.121 -7.326 1.00 0.21 N ATOM 2087 CA CYS B 29 9.385 5.932 -7.073 1.00 0.22 C ATOM 2088 C CYS B 29 10.236 6.936 -7.851 1.00 0.22 C ATOM 2089 O CYS B 29 11.363 7.244 -7.458 1.00 0.25 O ATOM 2090 CB CYS B 29 9.788 4.507 -7.455 1.00 0.27 C ATOM 2091 SG CYS B 29 9.155 3.982 -9.064 1.00 1.34 S ATOM 0 H CYS B 29 7.493 5.295 -7.702 1.00 0.21 H new ATOM 0 HA CYS B 29 9.563 6.098 -6.011 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.876 4.435 -7.461 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.427 3.819 -6.690 1.00 0.27 H new ATOM 0 HG CYS B 29 9.973 4.366 -9.998 1.00 1.34 H new ATOM 2097 N VAL B 30 9.687 7.452 -8.943 1.00 0.24 N ATOM 2098 CA VAL B 30 10.389 8.417 -9.781 1.00 0.31 C ATOM 2099 C VAL B 30 10.649 9.721 -9.027 1.00 0.33 C ATOM 2100 O VAL B 30 11.639 10.404 -9.276 1.00 0.38 O ATOM 2101 CB VAL B 30 9.596 8.727 -11.068 1.00 0.39 C ATOM 2102 CG1 VAL B 30 10.503 9.343 -12.124 1.00 1.01 C ATOM 2103 CG2 VAL B 30 8.918 7.471 -11.601 1.00 0.92 C ATOM 0 H VAL B 30 8.750 7.216 -9.271 1.00 0.24 H new ATOM 0 HA VAL B 30 11.343 7.964 -10.051 1.00 0.31 H new ATOM 0 HB VAL B 30 8.820 9.452 -10.823 1.00 0.39 H new ATOM 0 HG11 VAL B 30 9.924 9.554 -13.023 1.00 1.01 H new ATOM 0 HG12 VAL B 30 10.929 10.270 -11.741 1.00 1.01 H new ATOM 0 HG13 VAL B 30 11.306 8.647 -12.365 1.00 1.01 H new ATOM 0 HG21 VAL B 30 8.365 7.713 -12.508 1.00 0.92 H new ATOM 0 HG22 VAL B 30 9.673 6.718 -11.826 1.00 0.92 H new ATOM 0 HG23 VAL B 30 8.230 7.082 -10.850 1.00 0.92 H new ATOM 2113 N ALA B 31 9.769 10.050 -8.092 1.00 0.34 N ATOM 2114 CA ALA B 31 9.910 11.272 -7.312 1.00 0.40 C ATOM 2115 C ALA B 31 10.729 11.029 -6.049 1.00 0.39 C ATOM 2116 O ALA B 31 11.194 11.970 -5.403 1.00 0.45 O ATOM 2117 CB ALA B 31 8.539 11.825 -6.952 1.00 0.46 C ATOM 0 H ALA B 31 8.951 9.489 -7.855 1.00 0.34 H new ATOM 0 HA ALA B 31 10.441 12.003 -7.922 1.00 0.40 H new ATOM 0 HB1 ALA B 31 8.657 12.738 -6.369 1.00 0.46 H new ATOM 0 HB2 ALA B 31 7.985 12.046 -7.864 1.00 0.46 H new ATOM 0 HB3 ALA B 31 7.992 11.088 -6.364 1.00 0.46 H new ATOM 2123 N THR B 32 10.902 9.762 -5.701 1.00 0.36 N ATOM 2124 CA THR B 32 11.654 9.394 -4.513 1.00 0.38 C ATOM 2125 C THR B 32 13.115 9.097 -4.843 1.00 0.42 C ATOM 2126 O THR B 32 14.012 9.839 -4.447 1.00 0.48 O ATOM 2127 CB THR B 32 11.024 8.168 -3.834 1.00 0.37 C ATOM 2128 OG1 THR B 32 9.598 8.243 -3.935 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.428 8.082 -2.369 1.00 0.44 C ATOM 0 H THR B 32 10.530 8.971 -6.227 1.00 0.36 H new ATOM 0 HA THR B 32 11.620 10.245 -3.832 1.00 0.38 H new ATOM 0 HB THR B 32 11.385 7.273 -4.341 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.207 8.257 -3.037 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.967 7.205 -1.915 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.512 8.001 -2.295 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.094 8.978 -1.846 1.00 0.44 H new ATOM 2137 N VAL B 33 13.351 8.019 -5.583 1.00 0.42 N ATOM 2138 CA VAL B 33 14.713 7.627 -5.941 1.00 0.52 C ATOM 2139 C VAL B 33 15.016 7.915 -7.407 1.00 0.57 C ATOM 2140 O VAL B 33 16.148 7.742 -7.860 1.00 0.99 O ATOM 2141 CB VAL B 33 14.970 6.132 -5.657 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.167 5.898 -4.170 1.00 0.67 C ATOM 2143 CG2 VAL B 33 13.831 5.277 -6.192 1.00 0.51 C ATOM 0 H VAL B 33 12.623 7.403 -5.946 1.00 0.42 H new ATOM 0 HA VAL B 33 15.376 8.226 -5.317 1.00 0.52 H new ATOM 0 HB VAL B 33 15.884 5.838 -6.173 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.347 4.838 -3.989 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.023 6.476 -3.821 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.273 6.211 -3.631 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.034 4.227 -5.981 1.00 0.51 H new ATOM 0 HG22 VAL B 33 12.898 5.571 -5.710 1.00 0.51 H new ATOM 0 HG23 VAL B 33 13.744 5.420 -7.269 1.00 0.51 H new ATOM 2153 N GLY B 34 14.001 8.348 -8.144 1.00 0.36 N ATOM 2154 CA GLY B 34 14.180 8.654 -9.552 1.00 0.38 C ATOM 2155 C GLY B 34 14.251 7.409 -10.416 1.00 0.33 C ATOM 2156 O GLY B 34 14.705 7.463 -11.559 1.00 0.38 O ATOM 0 H GLY B 34 13.055 8.493 -7.792 1.00 0.36 H new ATOM 0 HA2 GLY B 34 13.355 9.281 -9.891 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.094 9.233 -9.681 1.00 0.38 H new ATOM 2160 N TYR B 35 13.799 6.291 -9.867 1.00 0.32 N ATOM 2161 CA TYR B 35 13.812 5.025 -10.585 1.00 0.31 C ATOM 2162 C TYR B 35 12.471 4.766 -11.255 1.00 0.29 C ATOM 2163 O TYR B 35 11.421 5.131 -10.723 1.00 0.35 O ATOM 2164 CB TYR B 35 14.126 3.869 -9.633 1.00 0.33 C ATOM 2165 CG TYR B 35 15.588 3.500 -9.566 1.00 0.30 C ATOM 2166 CD1 TYR B 35 16.255 3.014 -10.683 1.00 0.39 C ATOM 2167 CD2 TYR B 35 16.300 3.625 -8.381 1.00 0.30 C ATOM 2168 CE1 TYR B 35 17.590 2.666 -10.620 1.00 0.39 C ATOM 2169 CE2 TYR B 35 17.634 3.280 -8.312 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.273 2.803 -9.432 1.00 0.30 C ATOM 2171 OH TYR B 35 19.603 2.461 -9.362 1.00 0.34 O ATOM 0 H TYR B 35 13.417 6.235 -8.923 1.00 0.32 H new ATOM 0 HA TYR B 35 14.587 5.088 -11.349 1.00 0.31 H new ATOM 0 HB2 TYR B 35 13.784 4.134 -8.633 1.00 0.33 H new ATOM 0 HB3 TYR B 35 13.556 2.993 -9.943 1.00 0.33 H new ATOM 0 HD1 TYR B 35 15.721 2.906 -11.616 1.00 0.39 H new ATOM 0 HD2 TYR B 35 15.802 3.998 -7.499 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.095 2.289 -11.497 1.00 0.39 H new ATOM 0 HE2 TYR B 35 18.174 3.384 -7.382 1.00 0.30 H new ATOM 0 HH TYR B 35 19.934 2.619 -8.453 1.00 0.34 H new ATOM 2181 N GLN B 36 12.513 4.152 -12.423 1.00 0.30 N ATOM 2182 CA GLN B 36 11.302 3.815 -13.149 1.00 0.31 C ATOM 2183 C GLN B 36 10.757 2.502 -12.605 1.00 0.30 C ATOM 2184 O GLN B 36 11.533 1.615 -12.259 1.00 0.35 O ATOM 2185 CB GLN B 36 11.596 3.686 -14.648 1.00 0.40 C ATOM 2186 CG GLN B 36 12.054 4.983 -15.297 1.00 0.42 C ATOM 2187 CD GLN B 36 10.908 5.932 -15.557 1.00 0.81 C ATOM 2188 OE1 GLN B 36 10.311 5.923 -16.633 1.00 1.63 O ATOM 2189 NE2 GLN B 36 10.588 6.754 -14.575 1.00 1.29 N ATOM 0 H GLN B 36 13.376 3.876 -12.891 1.00 0.30 H new ATOM 0 HA GLN B 36 10.563 4.605 -13.016 1.00 0.31 H new ATOM 0 HB2 GLN B 36 12.364 2.926 -14.794 1.00 0.40 H new ATOM 0 HB3 GLN B 36 10.698 3.334 -15.156 1.00 0.40 H new ATOM 0 HG2 GLN B 36 12.786 5.470 -14.653 1.00 0.42 H new ATOM 0 HG3 GLN B 36 12.557 4.758 -16.238 1.00 0.42 H new ATOM 0 HE21 GLN B 36 11.109 6.729 -13.698 1.00 1.29 H new ATOM 0 HE22 GLN B 36 9.820 7.414 -14.693 1.00 1.29 H new ATOM 2198 N PRO B 37 9.428 2.353 -12.506 1.00 0.33 N ATOM 2199 CA PRO B 37 8.815 1.123 -11.990 1.00 0.35 C ATOM 2200 C PRO B 37 9.308 -0.115 -12.737 1.00 0.31 C ATOM 2201 O PRO B 37 9.491 -1.182 -12.152 1.00 0.30 O ATOM 2202 CB PRO B 37 7.320 1.340 -12.231 1.00 0.43 C ATOM 2203 CG PRO B 37 7.153 2.820 -12.273 1.00 0.49 C ATOM 2204 CD PRO B 37 8.420 3.364 -12.874 1.00 0.40 C ATOM 0 HA PRO B 37 9.063 0.945 -10.944 1.00 0.35 H new ATOM 0 HB2 PRO B 37 6.999 0.879 -13.165 1.00 0.43 H new ATOM 0 HB3 PRO B 37 6.722 0.897 -11.434 1.00 0.43 H new ATOM 0 HG2 PRO B 37 6.286 3.098 -12.873 1.00 0.49 H new ATOM 0 HG3 PRO B 37 6.991 3.223 -11.273 1.00 0.49 H new ATOM 0 HD2 PRO B 37 8.337 3.475 -13.955 1.00 0.40 H new ATOM 0 HD3 PRO B 37 8.668 4.346 -12.470 1.00 0.40 H new ATOM 2212 N GLN B 38 9.552 0.055 -14.032 1.00 0.33 N ATOM 2213 CA GLN B 38 10.023 -1.025 -14.889 1.00 0.35 C ATOM 2214 C GLN B 38 11.457 -1.431 -14.554 1.00 0.34 C ATOM 2215 O GLN B 38 11.896 -2.525 -14.906 1.00 0.33 O ATOM 2216 CB GLN B 38 9.931 -0.612 -16.361 1.00 0.46 C ATOM 2217 CG GLN B 38 8.507 -0.377 -16.842 1.00 0.57 C ATOM 2218 CD GLN B 38 8.048 1.062 -16.677 1.00 1.14 C ATOM 2219 OE1 GLN B 38 8.525 1.790 -15.805 1.00 2.03 O ATOM 2220 NE2 GLN B 38 7.116 1.480 -17.513 1.00 1.34 N ATOM 0 H GLN B 38 9.429 0.944 -14.516 1.00 0.33 H new ATOM 0 HA GLN B 38 9.380 -1.887 -14.711 1.00 0.35 H new ATOM 0 HB2 GLN B 38 10.511 0.299 -16.511 1.00 0.46 H new ATOM 0 HB3 GLN B 38 10.390 -1.386 -16.976 1.00 0.46 H new ATOM 0 HG2 GLN B 38 8.435 -0.656 -17.893 1.00 0.57 H new ATOM 0 HG3 GLN B 38 7.832 -1.032 -16.291 1.00 0.57 H new ATOM 0 HE21 GLN B 38 6.746 0.847 -18.222 1.00 1.34 H new ATOM 0 HE22 GLN B 38 6.766 2.436 -17.450 1.00 1.34 H new ATOM 2229 N GLU B 39 12.183 -0.555 -13.866 1.00 0.39 N ATOM 2230 CA GLU B 39 13.565 -0.836 -13.493 1.00 0.44 C ATOM 2231 C GLU B 39 13.608 -1.760 -12.284 1.00 0.44 C ATOM 2232 O GLU B 39 14.607 -2.433 -12.039 1.00 0.53 O ATOM 2233 CB GLU B 39 14.320 0.463 -13.188 1.00 0.55 C ATOM 2234 CG GLU B 39 14.268 1.472 -14.322 1.00 0.59 C ATOM 2235 CD GLU B 39 15.290 2.583 -14.175 1.00 1.16 C ATOM 2236 OE1 GLU B 39 16.421 2.425 -14.688 1.00 1.59 O ATOM 2237 OE2 GLU B 39 14.965 3.624 -13.570 1.00 1.69 O ATOM 0 H GLU B 39 11.838 0.354 -13.556 1.00 0.39 H new ATOM 0 HA GLU B 39 14.052 -1.330 -14.334 1.00 0.44 H new ATOM 0 HB2 GLU B 39 13.901 0.916 -12.289 1.00 0.55 H new ATOM 0 HB3 GLU B 39 15.361 0.226 -12.970 1.00 0.55 H new ATOM 0 HG2 GLU B 39 14.434 0.956 -15.268 1.00 0.59 H new ATOM 0 HG3 GLU B 39 13.270 1.908 -14.368 1.00 0.59 H new ATOM 2244 N LEU B 40 12.512 -1.791 -11.539 1.00 0.41 N ATOM 2245 CA LEU B 40 12.417 -2.632 -10.355 1.00 0.44 C ATOM 2246 C LEU B 40 11.771 -3.969 -10.702 1.00 0.40 C ATOM 2247 O LEU B 40 11.998 -4.972 -10.029 1.00 0.45 O ATOM 2248 CB LEU B 40 11.601 -1.941 -9.255 1.00 0.50 C ATOM 2249 CG LEU B 40 12.292 -0.789 -8.513 1.00 0.53 C ATOM 2250 CD1 LEU B 40 13.753 -1.111 -8.239 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.164 0.509 -9.295 1.00 1.24 C ATOM 0 H LEU B 40 11.675 -1.242 -11.734 1.00 0.41 H new ATOM 0 HA LEU B 40 13.428 -2.804 -9.987 1.00 0.44 H new ATOM 0 HB2 LEU B 40 10.683 -1.558 -9.700 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.310 -2.693 -8.522 1.00 0.50 H new ATOM 0 HG LEU B 40 11.792 -0.661 -7.553 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.217 -0.277 -7.712 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.819 -2.009 -7.625 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.272 -1.278 -9.183 1.00 1.10 H new ATOM 0 HD21 LEU B 40 12.661 1.312 -8.751 1.00 1.24 H new ATOM 0 HD22 LEU B 40 12.630 0.392 -10.274 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.110 0.755 -9.422 1.00 1.24 H new ATOM 2263 N LEU B 41 10.965 -3.970 -11.760 1.00 0.34 N ATOM 2264 CA LEU B 41 10.268 -5.175 -12.204 1.00 0.34 C ATOM 2265 C LEU B 41 11.254 -6.296 -12.526 1.00 0.38 C ATOM 2266 O LEU B 41 12.106 -6.157 -13.407 1.00 0.43 O ATOM 2267 CB LEU B 41 9.402 -4.877 -13.432 1.00 0.29 C ATOM 2268 CG LEU B 41 8.333 -3.802 -13.234 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.533 -3.604 -14.512 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.418 -4.164 -12.077 1.00 0.30 C ATOM 0 H LEU B 41 10.777 -3.145 -12.329 1.00 0.34 H new ATOM 0 HA LEU B 41 9.626 -5.504 -11.387 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.054 -4.571 -14.250 1.00 0.29 H new ATOM 0 HB3 LEU B 41 8.912 -5.800 -13.743 1.00 0.29 H new ATOM 0 HG LEU B 41 8.830 -2.862 -12.993 1.00 0.28 H new ATOM 0 HD11 LEU B 41 6.777 -2.835 -14.352 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.201 -3.294 -15.315 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.047 -4.540 -14.785 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.664 -3.387 -11.952 1.00 0.30 H new ATOM 0 HD22 LEU B 41 6.928 -5.115 -12.285 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.005 -4.251 -11.162 1.00 0.30 H new ATOM 2282 N GLY B 42 11.137 -7.399 -11.797 1.00 0.43 N ATOM 2283 CA GLY B 42 12.016 -8.532 -12.010 1.00 0.51 C ATOM 2284 C GLY B 42 13.356 -8.361 -11.325 1.00 0.49 C ATOM 2285 O GLY B 42 14.313 -9.074 -11.627 1.00 0.53 O ATOM 0 H GLY B 42 10.445 -7.529 -11.059 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.534 -9.437 -11.639 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.173 -8.670 -13.080 1.00 0.51 H new ATOM 2289 N LYS B 43 13.430 -7.410 -10.408 1.00 0.46 N ATOM 2290 CA LYS B 43 14.660 -7.148 -9.677 1.00 0.47 C ATOM 2291 C LYS B 43 14.440 -7.321 -8.180 1.00 0.40 C ATOM 2292 O LYS B 43 13.299 -7.365 -7.711 1.00 0.50 O ATOM 2293 CB LYS B 43 15.169 -5.732 -9.969 1.00 0.57 C ATOM 2294 CG LYS B 43 15.701 -5.539 -11.384 1.00 0.73 C ATOM 2295 CD LYS B 43 17.169 -5.927 -11.495 1.00 0.81 C ATOM 2296 CE LYS B 43 17.339 -7.424 -11.691 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.756 -7.844 -11.565 1.00 2.45 N ATOM 0 H LYS B 43 12.650 -6.805 -10.151 1.00 0.46 H new ATOM 0 HA LYS B 43 15.410 -7.866 -10.008 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.358 -5.024 -9.798 1.00 0.57 H new ATOM 0 HB3 LYS B 43 15.960 -5.489 -9.259 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.113 -6.139 -12.078 1.00 0.73 H new ATOM 0 HG3 LYS B 43 15.577 -4.497 -11.680 1.00 0.73 H new ATOM 0 HD2 LYS B 43 17.624 -5.396 -12.331 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.697 -5.615 -10.594 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.736 -7.957 -10.955 1.00 1.70 H new ATOM 0 HE3 LYS B 43 16.964 -7.706 -12.675 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 18.798 -8.849 -11.300 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.241 -7.705 -12.474 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.224 -7.273 -10.832 1.00 2.45 H new ATOM 2311 N ASN B 44 15.535 -7.427 -7.441 1.00 0.32 N ATOM 2312 CA ASN B 44 15.474 -7.589 -5.997 1.00 0.29 C ATOM 2313 C ASN B 44 15.762 -6.266 -5.308 1.00 0.28 C ATOM 2314 O ASN B 44 16.646 -5.522 -5.729 1.00 0.30 O ATOM 2315 CB ASN B 44 16.490 -8.634 -5.525 1.00 0.30 C ATOM 2316 CG ASN B 44 15.938 -10.047 -5.533 1.00 0.91 C ATOM 2317 OD1 ASN B 44 15.893 -10.700 -6.572 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.530 -10.535 -4.370 1.00 0.70 N ATOM 0 H ASN B 44 16.481 -7.403 -7.821 1.00 0.32 H new ATOM 0 HA ASN B 44 14.470 -7.926 -5.738 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.371 -8.591 -6.166 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.817 -8.384 -4.516 1.00 0.30 H new ATOM 0 HD21 ASN B 44 15.162 -11.485 -4.316 1.00 0.70 H new ATOM 0 HD22 ASN B 44 15.584 -9.961 -3.529 1.00 0.70 H new ATOM 2325 N ILE B 45 15.029 -5.982 -4.238 1.00 0.25 N ATOM 2326 CA ILE B 45 15.221 -4.746 -3.486 1.00 0.25 C ATOM 2327 C ILE B 45 16.614 -4.711 -2.849 1.00 0.24 C ATOM 2328 O ILE B 45 17.156 -3.648 -2.557 1.00 0.31 O ATOM 2329 CB ILE B 45 14.140 -4.586 -2.390 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.244 -3.212 -1.718 1.00 0.27 C ATOM 2331 CG2 ILE B 45 14.247 -5.701 -1.359 1.00 0.24 C ATOM 2332 CD1 ILE B 45 13.090 -2.897 -0.789 1.00 0.28 C ATOM 0 H ILE B 45 14.297 -6.590 -3.871 1.00 0.25 H new ATOM 0 HA ILE B 45 15.130 -3.916 -4.187 1.00 0.25 H new ATOM 0 HB ILE B 45 13.162 -4.657 -2.866 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.176 -3.163 -1.154 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.297 -2.444 -2.489 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.478 -5.568 -0.598 1.00 0.24 H new ATOM 0 HG22 ILE B 45 14.110 -6.665 -1.850 1.00 0.24 H new ATOM 0 HG23 ILE B 45 15.230 -5.670 -0.890 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.234 -1.909 -0.352 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.156 -2.912 -1.351 1.00 0.28 H new ATOM 0 HD13 ILE B 45 13.048 -3.643 0.005 1.00 0.28 H new ATOM 2344 N VAL B 46 17.198 -5.891 -2.671 1.00 0.21 N ATOM 2345 CA VAL B 46 18.518 -6.017 -2.067 1.00 0.23 C ATOM 2346 C VAL B 46 19.614 -5.504 -3.008 1.00 0.23 C ATOM 2347 O VAL B 46 20.688 -5.103 -2.559 1.00 0.29 O ATOM 2348 CB VAL B 46 18.803 -7.486 -1.663 1.00 0.26 C ATOM 2349 CG1 VAL B 46 19.117 -8.350 -2.877 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.928 -7.563 -0.643 1.00 1.15 C ATOM 0 H VAL B 46 16.774 -6.779 -2.939 1.00 0.21 H new ATOM 0 HA VAL B 46 18.526 -5.400 -1.168 1.00 0.23 H new ATOM 0 HB VAL B 46 17.896 -7.878 -1.203 1.00 0.26 H new ATOM 0 HG11 VAL B 46 19.311 -9.373 -2.555 1.00 1.08 H new ATOM 0 HG12 VAL B 46 18.268 -8.340 -3.560 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.997 -7.956 -3.386 1.00 1.08 H new ATOM 0 HG21 VAL B 46 20.107 -8.605 -0.377 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.836 -7.136 -1.069 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.649 -7.004 0.250 1.00 1.15 H new ATOM 2360 N GLU B 47 19.324 -5.487 -4.309 1.00 0.23 N ATOM 2361 CA GLU B 47 20.291 -5.025 -5.304 1.00 0.27 C ATOM 2362 C GLU B 47 20.464 -3.516 -5.231 1.00 0.25 C ATOM 2363 O GLU B 47 21.568 -2.995 -5.375 1.00 0.35 O ATOM 2364 CB GLU B 47 19.839 -5.406 -6.714 1.00 0.34 C ATOM 2365 CG GLU B 47 19.736 -6.901 -6.951 1.00 0.42 C ATOM 2366 CD GLU B 47 19.235 -7.227 -8.341 1.00 1.07 C ATOM 2367 OE1 GLU B 47 19.995 -7.039 -9.314 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.078 -7.675 -8.473 1.00 1.96 O ATOM 0 H GLU B 47 18.430 -5.787 -4.697 1.00 0.23 H new ATOM 0 HA GLU B 47 21.243 -5.508 -5.085 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.868 -4.951 -6.907 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.539 -4.982 -7.435 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.714 -7.359 -6.803 1.00 0.42 H new ATOM 0 HG3 GLU B 47 19.064 -7.339 -6.213 1.00 0.42 H new ATOM 2375 N PHE B 48 19.363 -2.821 -4.992 1.00 0.22 N ATOM 2376 CA PHE B 48 19.373 -1.366 -4.914 1.00 0.26 C ATOM 2377 C PHE B 48 19.483 -0.902 -3.467 1.00 0.26 C ATOM 2378 O PHE B 48 19.114 0.223 -3.135 1.00 0.33 O ATOM 2379 CB PHE B 48 18.102 -0.795 -5.551 1.00 0.32 C ATOM 2380 CG PHE B 48 17.859 -1.274 -6.956 1.00 0.35 C ATOM 2381 CD1 PHE B 48 18.374 -0.579 -8.037 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.118 -2.421 -7.194 1.00 0.39 C ATOM 2383 CE1 PHE B 48 18.154 -1.017 -9.329 1.00 0.45 C ATOM 2384 CE2 PHE B 48 16.895 -2.864 -8.482 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.414 -2.162 -9.552 1.00 0.46 C ATOM 0 H PHE B 48 18.446 -3.243 -4.848 1.00 0.22 H new ATOM 0 HA PHE B 48 20.242 -1.001 -5.461 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.245 -1.063 -4.933 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.166 0.293 -5.554 1.00 0.32 H new ATOM 0 HD1 PHE B 48 18.955 0.316 -7.868 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.710 -2.975 -6.361 1.00 0.39 H new ATOM 0 HE1 PHE B 48 18.560 -0.465 -10.164 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.315 -3.759 -8.653 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.242 -2.507 -10.561 1.00 0.46 H new ATOM 2395 N CYS B 49 19.997 -1.770 -2.612 1.00 0.23 N ATOM 2396 CA CYS B 49 20.149 -1.447 -1.207 1.00 0.28 C ATOM 2397 C CYS B 49 21.620 -1.342 -0.832 1.00 0.30 C ATOM 2398 O CYS B 49 22.478 -1.987 -1.440 1.00 0.38 O ATOM 2399 CB CYS B 49 19.464 -2.507 -0.343 1.00 0.31 C ATOM 2400 SG CYS B 49 19.508 -2.162 1.433 1.00 1.17 S ATOM 0 H CYS B 49 20.316 -2.704 -2.868 1.00 0.23 H new ATOM 0 HA CYS B 49 19.677 -0.481 -1.027 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.425 -2.599 -0.658 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.939 -3.471 -0.526 1.00 0.31 H new ATOM 0 HG CYS B 49 18.616 -1.262 1.722 1.00 1.17 H new ATOM 2406 N HIS B 50 21.897 -0.506 0.157 1.00 0.32 N ATOM 2407 CA HIS B 50 23.248 -0.305 0.657 1.00 0.38 C ATOM 2408 C HIS B 50 23.787 -1.629 1.196 1.00 0.32 C ATOM 2409 O HIS B 50 23.112 -2.293 1.975 1.00 0.31 O ATOM 2410 CB HIS B 50 23.213 0.766 1.755 1.00 0.54 C ATOM 2411 CG HIS B 50 24.549 1.263 2.209 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.848 1.469 3.534 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.651 1.628 1.516 1.00 1.18 C ATOM 2414 CE1 HIS B 50 26.075 1.940 3.639 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.589 2.043 2.428 1.00 1.08 N ATOM 0 H HIS B 50 21.191 0.053 0.636 1.00 0.32 H new ATOM 0 HA HIS B 50 23.908 0.033 -0.142 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.632 1.614 1.393 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.683 0.361 2.617 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.218 1.286 4.315 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.771 1.598 0.443 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.575 2.198 4.561 1.00 0.87 H new ATOM 2424 N PRO B 51 24.995 -2.042 0.771 1.00 0.35 N ATOM 2425 CA PRO B 51 25.613 -3.305 1.203 1.00 0.38 C ATOM 2426 C PRO B 51 25.514 -3.552 2.709 1.00 0.36 C ATOM 2427 O PRO B 51 25.099 -4.626 3.139 1.00 0.46 O ATOM 2428 CB PRO B 51 27.069 -3.138 0.782 1.00 0.47 C ATOM 2429 CG PRO B 51 27.010 -2.255 -0.414 1.00 0.72 C ATOM 2430 CD PRO B 51 25.854 -1.317 -0.187 1.00 0.44 C ATOM 0 HA PRO B 51 25.112 -4.166 0.760 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.664 -2.690 1.578 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.527 -4.098 0.545 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.942 -1.702 -0.536 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.865 -2.839 -1.323 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.188 -0.362 0.218 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.325 -1.102 -1.115 1.00 0.44 H new ATOM 2438 N GLU B 52 25.873 -2.553 3.503 1.00 0.37 N ATOM 2439 CA GLU B 52 25.835 -2.666 4.960 1.00 0.38 C ATOM 2440 C GLU B 52 24.409 -2.654 5.508 1.00 0.37 C ATOM 2441 O GLU B 52 24.201 -2.806 6.710 1.00 0.40 O ATOM 2442 CB GLU B 52 26.639 -1.533 5.594 1.00 0.45 C ATOM 2443 CG GLU B 52 28.095 -1.521 5.169 1.00 0.78 C ATOM 2444 CD GLU B 52 28.366 -0.566 4.024 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.729 -0.699 2.958 1.00 2.04 O ATOM 2446 OE2 GLU B 52 29.221 0.329 4.187 1.00 1.70 O ATOM 0 H GLU B 52 26.197 -1.648 3.162 1.00 0.37 H new ATOM 0 HA GLU B 52 26.278 -3.628 5.219 1.00 0.38 H new ATOM 0 HB2 GLU B 52 26.182 -0.580 5.329 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.585 -1.621 6.679 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.715 -1.244 6.022 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.391 -2.528 4.874 1.00 0.78 H new ATOM 2453 N ASP B 53 23.430 -2.477 4.637 1.00 0.36 N ATOM 2454 CA ASP B 53 22.032 -2.446 5.052 1.00 0.37 C ATOM 2455 C ASP B 53 21.255 -3.586 4.409 1.00 0.38 C ATOM 2456 O ASP B 53 20.057 -3.748 4.643 1.00 0.42 O ATOM 2457 CB ASP B 53 21.392 -1.110 4.677 1.00 0.47 C ATOM 2458 CG ASP B 53 21.935 0.047 5.488 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.553 0.185 6.666 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.747 0.829 4.949 1.00 1.10 O ATOM 0 H ASP B 53 23.575 -2.352 3.635 1.00 0.36 H new ATOM 0 HA ASP B 53 21.999 -2.564 6.135 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.560 -0.916 3.618 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.314 -1.175 4.822 1.00 0.47 H new ATOM 2465 N GLN B 54 21.952 -4.379 3.607 1.00 0.41 N ATOM 2466 CA GLN B 54 21.342 -5.505 2.913 1.00 0.47 C ATOM 2467 C GLN B 54 20.884 -6.571 3.902 1.00 0.50 C ATOM 2468 O GLN B 54 19.800 -7.137 3.752 1.00 0.53 O ATOM 2469 CB GLN B 54 22.322 -6.088 1.894 1.00 0.56 C ATOM 2470 CG GLN B 54 22.412 -5.267 0.614 1.00 0.65 C ATOM 2471 CD GLN B 54 23.494 -5.760 -0.326 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.546 -6.234 0.105 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.244 -5.656 -1.620 1.00 0.80 N ATOM 0 H GLN B 54 22.948 -4.262 3.420 1.00 0.41 H new ATOM 0 HA GLN B 54 20.461 -5.148 2.380 1.00 0.47 H new ATOM 0 HB2 GLN B 54 23.311 -6.154 2.347 1.00 0.56 H new ATOM 0 HB3 GLN B 54 22.017 -7.105 1.646 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.451 -5.296 0.101 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.606 -4.225 0.869 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.361 -5.258 -1.938 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.934 -5.974 -2.300 1.00 0.80 H new ATOM 2482 N GLN B 55 21.699 -6.831 4.922 1.00 0.54 N ATOM 2483 CA GLN B 55 21.349 -7.819 5.937 1.00 0.61 C ATOM 2484 C GLN B 55 20.137 -7.334 6.719 1.00 0.52 C ATOM 2485 O GLN B 55 19.209 -8.097 6.987 1.00 0.52 O ATOM 2486 CB GLN B 55 22.523 -8.062 6.891 1.00 0.76 C ATOM 2487 CG GLN B 55 22.301 -9.226 7.845 1.00 1.33 C ATOM 2488 CD GLN B 55 22.322 -10.563 7.137 1.00 1.73 C ATOM 2489 OE1 GLN B 55 23.002 -10.730 6.125 1.00 2.72 O ATOM 2490 NE2 GLN B 55 21.585 -11.526 7.663 1.00 1.51 N ATOM 0 H GLN B 55 22.600 -6.374 5.066 1.00 0.54 H new ATOM 0 HA GLN B 55 21.113 -8.761 5.441 1.00 0.61 H new ATOM 0 HB2 GLN B 55 23.423 -8.249 6.306 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.702 -7.157 7.471 1.00 0.76 H new ATOM 0 HG2 GLN B 55 23.072 -9.213 8.615 1.00 1.33 H new ATOM 0 HG3 GLN B 55 21.344 -9.101 8.351 1.00 1.33 H new ATOM 0 HE21 GLN B 55 21.035 -11.346 8.503 1.00 1.51 H new ATOM 0 HE22 GLN B 55 21.566 -12.449 7.229 1.00 1.51 H new ATOM 2499 N LEU B 56 20.158 -6.053 7.073 1.00 0.51 N ATOM 2500 CA LEU B 56 19.068 -5.429 7.810 1.00 0.51 C ATOM 2501 C LEU B 56 17.766 -5.534 7.025 1.00 0.42 C ATOM 2502 O LEU B 56 16.711 -5.838 7.590 1.00 0.42 O ATOM 2503 CB LEU B 56 19.394 -3.960 8.091 1.00 0.60 C ATOM 2504 CG LEU B 56 18.366 -3.213 8.943 1.00 0.63 C ATOM 2505 CD1 LEU B 56 18.330 -3.786 10.350 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.685 -1.727 8.977 1.00 1.42 C ATOM 0 H LEU B 56 20.929 -5.421 6.857 1.00 0.51 H new ATOM 0 HA LEU B 56 18.947 -5.952 8.758 1.00 0.51 H new ATOM 0 HB2 LEU B 56 20.361 -3.909 8.591 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.499 -3.440 7.139 1.00 0.60 H new ATOM 0 HG LEU B 56 17.381 -3.342 8.494 1.00 0.63 H new ATOM 0 HD11 LEU B 56 17.594 -3.245 10.945 1.00 1.29 H new ATOM 0 HD12 LEU B 56 18.057 -4.840 10.307 1.00 1.29 H new ATOM 0 HD13 LEU B 56 19.313 -3.685 10.809 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.944 -1.210 9.587 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.676 -1.577 9.405 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.663 -1.327 7.963 1.00 1.42 H new ATOM 2518 N LEU B 57 17.846 -5.277 5.724 1.00 0.40 N ATOM 2519 CA LEU B 57 16.685 -5.359 4.850 1.00 0.39 C ATOM 2520 C LEU B 57 16.116 -6.772 4.874 1.00 0.37 C ATOM 2521 O LEU B 57 14.927 -6.971 5.117 1.00 0.39 O ATOM 2522 CB LEU B 57 17.069 -4.982 3.415 1.00 0.48 C ATOM 2523 CG LEU B 57 16.115 -4.017 2.703 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.432 -3.961 1.218 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.665 -4.422 2.915 1.00 1.15 C ATOM 0 H LEU B 57 18.709 -5.009 5.251 1.00 0.40 H new ATOM 0 HA LEU B 57 15.930 -4.659 5.208 1.00 0.39 H new ATOM 0 HB2 LEU B 57 18.063 -4.536 3.430 1.00 0.48 H new ATOM 0 HB3 LEU B 57 17.139 -5.896 2.825 1.00 0.48 H new ATOM 0 HG LEU B 57 16.256 -3.026 3.134 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.746 -3.272 0.725 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.456 -3.616 1.077 1.00 1.01 H new ATOM 0 HD13 LEU B 57 16.321 -4.955 0.785 1.00 1.01 H new ATOM 0 HD21 LEU B 57 14.012 -3.719 2.398 1.00 1.15 H new ATOM 0 HD22 LEU B 57 14.506 -5.425 2.518 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.437 -4.413 3.981 1.00 1.15 H new ATOM 2537 N ARG B 58 16.988 -7.745 4.638 1.00 0.42 N ATOM 2538 CA ARG B 58 16.602 -9.150 4.628 1.00 0.50 C ATOM 2539 C ARG B 58 15.995 -9.560 5.968 1.00 0.44 C ATOM 2540 O ARG B 58 14.911 -10.140 6.016 1.00 0.44 O ATOM 2541 CB ARG B 58 17.820 -10.021 4.312 1.00 0.65 C ATOM 2542 CG ARG B 58 17.554 -11.511 4.439 1.00 1.08 C ATOM 2543 CD ARG B 58 18.787 -12.328 4.102 1.00 1.12 C ATOM 2544 NE ARG B 58 19.249 -13.113 5.243 1.00 1.90 N ATOM 2545 CZ ARG B 58 20.416 -13.754 5.282 1.00 2.21 C ATOM 2546 NH1 ARG B 58 21.249 -13.695 4.252 1.00 1.97 N ATOM 2547 NH2 ARG B 58 20.755 -14.446 6.362 1.00 3.01 N ATOM 0 H ARG B 58 17.977 -7.583 4.449 1.00 0.42 H new ATOM 0 HA ARG B 58 15.846 -9.294 3.856 1.00 0.50 H new ATOM 0 HB2 ARG B 58 18.156 -9.806 3.298 1.00 0.65 H new ATOM 0 HB3 ARG B 58 18.635 -9.748 4.982 1.00 0.65 H new ATOM 0 HG2 ARG B 58 17.232 -11.739 5.455 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.737 -11.793 3.775 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.564 -12.995 3.269 1.00 1.12 H new ATOM 0 HD3 ARG B 58 19.585 -11.662 3.773 1.00 1.12 H new ATOM 0 HE ARG B 58 18.641 -13.174 6.060 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.998 -13.156 3.423 1.00 1.97 H new ATOM 0 HH12 ARG B 58 22.141 -14.188 4.289 1.00 1.97 H new ATOM 0 HH21 ARG B 58 20.122 -14.487 7.161 1.00 3.01 H new ATOM 0 HH22 ARG B 58 21.648 -14.937 6.393 1.00 3.01 H new ATOM 2561 N ASP B 59 16.694 -9.235 7.049 1.00 0.42 N ATOM 2562 CA ASP B 59 16.241 -9.568 8.397 1.00 0.43 C ATOM 2563 C ASP B 59 14.838 -9.029 8.656 1.00 0.37 C ATOM 2564 O ASP B 59 13.958 -9.760 9.113 1.00 0.39 O ATOM 2565 CB ASP B 59 17.215 -9.013 9.440 1.00 0.49 C ATOM 2566 CG ASP B 59 16.749 -9.257 10.861 1.00 0.58 C ATOM 2567 OD1 ASP B 59 16.483 -10.428 11.212 1.00 0.76 O ATOM 2568 OD2 ASP B 59 16.656 -8.282 11.638 1.00 0.78 O ATOM 0 H ASP B 59 17.584 -8.737 7.019 1.00 0.42 H new ATOM 0 HA ASP B 59 16.211 -10.654 8.480 1.00 0.43 H new ATOM 0 HB2 ASP B 59 18.193 -9.472 9.299 1.00 0.49 H new ATOM 0 HB3 ASP B 59 17.340 -7.942 9.281 1.00 0.49 H new ATOM 2573 N SER B 60 14.630 -7.758 8.338 1.00 0.33 N ATOM 2574 CA SER B 60 13.336 -7.119 8.543 1.00 0.33 C ATOM 2575 C SER B 60 12.269 -7.733 7.637 1.00 0.28 C ATOM 2576 O SER B 60 11.120 -7.911 8.048 1.00 0.29 O ATOM 2577 CB SER B 60 13.452 -5.619 8.290 1.00 0.39 C ATOM 2578 OG SER B 60 14.531 -5.070 9.030 1.00 1.41 O ATOM 0 H SER B 60 15.342 -7.148 7.936 1.00 0.33 H new ATOM 0 HA SER B 60 13.031 -7.283 9.576 1.00 0.33 H new ATOM 0 HB2 SER B 60 13.602 -5.435 7.226 1.00 0.39 H new ATOM 0 HB3 SER B 60 12.522 -5.124 8.571 1.00 0.39 H new ATOM 0 HG SER B 60 15.362 -5.169 8.519 1.00 1.41 H new ATOM 2584 N PHE B 61 12.658 -8.063 6.407 1.00 0.30 N ATOM 2585 CA PHE B 61 11.739 -8.669 5.450 1.00 0.32 C ATOM 2586 C PHE B 61 11.250 -10.012 5.966 1.00 0.33 C ATOM 2587 O PHE B 61 10.078 -10.349 5.833 1.00 0.34 O ATOM 2588 CB PHE B 61 12.412 -8.845 4.085 1.00 0.39 C ATOM 2589 CG PHE B 61 12.042 -7.782 3.089 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.456 -6.595 3.502 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.275 -7.972 1.738 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.114 -5.620 2.585 1.00 0.70 C ATOM 2593 CE2 PHE B 61 11.936 -7.001 0.818 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.355 -5.823 1.242 1.00 0.60 C ATOM 0 H PHE B 61 13.603 -7.920 6.051 1.00 0.30 H new ATOM 0 HA PHE B 61 10.885 -8.003 5.330 1.00 0.32 H new ATOM 0 HB2 PHE B 61 13.494 -8.844 4.220 1.00 0.39 H new ATOM 0 HB3 PHE B 61 12.142 -9.820 3.680 1.00 0.39 H new ATOM 0 HD1 PHE B 61 11.265 -6.431 4.552 1.00 0.62 H new ATOM 0 HD2 PHE B 61 12.728 -8.892 1.399 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.658 -4.700 2.919 1.00 0.70 H new ATOM 0 HE2 PHE B 61 12.125 -7.163 -0.233 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.090 -5.062 0.524 1.00 0.60 H new ATOM 2604 N GLN B 62 12.150 -10.769 6.571 1.00 0.35 N ATOM 2605 CA GLN B 62 11.795 -12.069 7.118 1.00 0.41 C ATOM 2606 C GLN B 62 10.892 -11.899 8.334 1.00 0.37 C ATOM 2607 O GLN B 62 9.968 -12.682 8.545 1.00 0.40 O ATOM 2608 CB GLN B 62 13.051 -12.852 7.504 1.00 0.52 C ATOM 2609 CG GLN B 62 14.010 -13.078 6.346 1.00 0.79 C ATOM 2610 CD GLN B 62 13.402 -13.898 5.224 1.00 1.44 C ATOM 2611 OE1 GLN B 62 12.625 -14.910 5.578 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 13.647 -13.638 4.047 1.00 2.12 N flip ATOM 0 H GLN B 62 13.128 -10.508 6.696 1.00 0.35 H new ATOM 0 HA GLN B 62 11.258 -12.629 6.353 1.00 0.41 H new ATOM 0 HB2 GLN B 62 13.573 -12.317 8.297 1.00 0.52 H new ATOM 0 HB3 GLN B 62 12.755 -13.818 7.913 1.00 0.52 H new ATOM 0 HG2 GLN B 62 14.329 -12.113 5.952 1.00 0.79 H new ATOM 0 HG3 GLN B 62 14.903 -13.583 6.714 1.00 0.79 H new ATOM 0 HE21 GLN B 62 14.251 -12.850 3.814 1.00 2.12 H new ATOM 0 HE22 GLN B 62 13.247 -14.211 3.304 1.00 2.12 H new ATOM 2621 N GLN B 63 11.152 -10.850 9.112 1.00 0.34 N ATOM 2622 CA GLN B 63 10.375 -10.568 10.316 1.00 0.36 C ATOM 2623 C GLN B 63 8.917 -10.261 9.987 1.00 0.29 C ATOM 2624 O GLN B 63 8.011 -10.745 10.664 1.00 0.32 O ATOM 2625 CB GLN B 63 10.970 -9.388 11.087 1.00 0.44 C ATOM 2626 CG GLN B 63 12.297 -9.693 11.761 1.00 0.66 C ATOM 2627 CD GLN B 63 12.685 -8.639 12.777 1.00 0.76 C ATOM 2628 OE1 GLN B 63 11.829 -8.064 13.450 1.00 1.33 O ATOM 2629 NE2 GLN B 63 13.975 -8.369 12.890 1.00 1.23 N ATOM 0 H GLN B 63 11.898 -10.179 8.928 1.00 0.34 H new ATOM 0 HA GLN B 63 10.415 -11.465 10.933 1.00 0.36 H new ATOM 0 HB2 GLN B 63 11.107 -8.552 10.401 1.00 0.44 H new ATOM 0 HB3 GLN B 63 10.256 -9.066 11.845 1.00 0.44 H new ATOM 0 HG2 GLN B 63 12.236 -10.663 12.254 1.00 0.66 H new ATOM 0 HG3 GLN B 63 13.077 -9.768 11.004 1.00 0.66 H new ATOM 0 HE21 GLN B 63 14.653 -8.868 12.314 1.00 1.23 H new ATOM 0 HE22 GLN B 63 14.292 -7.662 13.553 1.00 1.23 H new ATOM 2638 N VAL B 64 8.687 -9.470 8.943 1.00 0.26 N ATOM 2639 CA VAL B 64 7.327 -9.096 8.564 1.00 0.26 C ATOM 2640 C VAL B 64 6.503 -10.317 8.146 1.00 0.26 C ATOM 2641 O VAL B 64 5.283 -10.341 8.333 1.00 0.28 O ATOM 2642 CB VAL B 64 7.305 -8.018 7.451 1.00 0.28 C ATOM 2643 CG1 VAL B 64 7.611 -8.603 6.081 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.967 -7.300 7.438 1.00 0.30 C ATOM 0 H VAL B 64 9.417 -9.078 8.348 1.00 0.26 H new ATOM 0 HA VAL B 64 6.867 -8.662 9.452 1.00 0.26 H new ATOM 0 HB VAL B 64 8.093 -7.299 7.677 1.00 0.28 H new ATOM 0 HG11 VAL B 64 7.584 -7.811 5.333 1.00 0.31 H new ATOM 0 HG12 VAL B 64 8.601 -9.058 6.093 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.867 -9.360 5.834 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.966 -6.546 6.651 1.00 0.30 H new ATOM 0 HG22 VAL B 64 5.170 -8.020 7.252 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.803 -6.819 8.402 1.00 0.30 H new ATOM 2654 N VAL B 65 7.171 -11.334 7.603 1.00 0.29 N ATOM 2655 CA VAL B 65 6.489 -12.554 7.186 1.00 0.33 C ATOM 2656 C VAL B 65 6.129 -13.392 8.409 1.00 0.37 C ATOM 2657 O VAL B 65 5.191 -14.189 8.383 1.00 0.45 O ATOM 2658 CB VAL B 65 7.344 -13.403 6.215 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.503 -14.495 5.567 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.989 -12.530 5.151 1.00 0.39 C ATOM 0 H VAL B 65 8.178 -11.336 7.443 1.00 0.29 H new ATOM 0 HA VAL B 65 5.585 -12.253 6.656 1.00 0.33 H new ATOM 0 HB VAL B 65 8.136 -13.876 6.795 1.00 0.40 H new ATOM 0 HG11 VAL B 65 7.125 -15.079 4.889 1.00 0.48 H new ATOM 0 HG12 VAL B 65 6.097 -15.148 6.339 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.685 -14.041 5.008 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.584 -13.152 4.482 1.00 0.39 H new ATOM 0 HG22 VAL B 65 7.213 -12.021 4.579 1.00 0.39 H new ATOM 0 HG23 VAL B 65 8.633 -11.791 5.628 1.00 0.39 H new ATOM 2670 N LYS B 66 6.887 -13.204 9.481 1.00 0.37 N ATOM 2671 CA LYS B 66 6.645 -13.918 10.725 1.00 0.45 C ATOM 2672 C LYS B 66 5.511 -13.248 11.486 1.00 0.41 C ATOM 2673 O LYS B 66 4.697 -13.912 12.129 1.00 0.49 O ATOM 2674 CB LYS B 66 7.907 -13.942 11.588 1.00 0.57 C ATOM 2675 CG LYS B 66 9.103 -14.594 10.913 1.00 0.74 C ATOM 2676 CD LYS B 66 10.377 -14.363 11.707 1.00 0.67 C ATOM 2677 CE LYS B 66 10.347 -15.098 13.036 1.00 1.44 C ATOM 2678 NZ LYS B 66 11.207 -14.438 14.048 1.00 2.19 N ATOM 0 H LYS B 66 7.677 -12.560 9.513 1.00 0.37 H new ATOM 0 HA LYS B 66 6.369 -14.946 10.490 1.00 0.45 H new ATOM 0 HB2 LYS B 66 8.169 -12.919 11.860 1.00 0.57 H new ATOM 0 HB3 LYS B 66 7.691 -14.473 12.515 1.00 0.57 H new ATOM 0 HG2 LYS B 66 8.926 -15.664 10.809 1.00 0.74 H new ATOM 0 HG3 LYS B 66 9.220 -14.191 9.907 1.00 0.74 H new ATOM 0 HD2 LYS B 66 11.235 -14.698 11.125 1.00 0.67 H new ATOM 0 HD3 LYS B 66 10.508 -13.295 11.884 1.00 0.67 H new ATOM 0 HE2 LYS B 66 9.322 -15.143 13.404 1.00 1.44 H new ATOM 0 HE3 LYS B 66 10.679 -16.126 12.891 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 11.161 -14.968 14.942 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 12.190 -14.417 13.708 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.874 -13.465 14.205 1.00 2.19 H new ATOM 2692 N LEU B 67 5.478 -11.920 11.418 1.00 0.39 N ATOM 2693 CA LEU B 67 4.441 -11.144 12.081 1.00 0.43 C ATOM 2694 C LEU B 67 3.093 -11.419 11.428 1.00 0.62 C ATOM 2695 O LEU B 67 2.139 -11.802 12.104 1.00 1.30 O ATOM 2696 CB LEU B 67 4.763 -9.648 12.021 1.00 0.59 C ATOM 2697 CG LEU B 67 6.058 -9.229 12.722 1.00 0.54 C ATOM 2698 CD1 LEU B 67 6.302 -7.740 12.533 1.00 0.74 C ATOM 2699 CD2 LEU B 67 6.003 -9.581 14.203 1.00 0.79 C ATOM 0 H LEU B 67 6.161 -11.360 10.908 1.00 0.39 H new ATOM 0 HA LEU B 67 4.398 -11.442 13.129 1.00 0.43 H new ATOM 0 HB2 LEU B 67 4.822 -9.347 10.975 1.00 0.59 H new ATOM 0 HB3 LEU B 67 3.934 -9.097 12.465 1.00 0.59 H new ATOM 0 HG LEU B 67 6.888 -9.775 12.273 1.00 0.54 H new ATOM 0 HD11 LEU B 67 7.226 -7.456 13.037 1.00 0.74 H new ATOM 0 HD12 LEU B 67 6.385 -7.517 11.469 1.00 0.74 H new ATOM 0 HD13 LEU B 67 5.470 -7.178 12.957 1.00 0.74 H new ATOM 0 HD21 LEU B 67 6.932 -9.276 14.684 1.00 0.79 H new ATOM 0 HD22 LEU B 67 5.165 -9.063 14.669 1.00 0.79 H new ATOM 0 HD23 LEU B 67 5.872 -10.657 14.317 1.00 0.79 H new ATOM 2711 N LYS B 68 3.045 -11.232 10.108 1.00 0.48 N ATOM 2712 CA LYS B 68 1.839 -11.470 9.310 1.00 0.55 C ATOM 2713 C LYS B 68 0.719 -10.476 9.622 1.00 0.47 C ATOM 2714 O LYS B 68 0.306 -10.317 10.772 1.00 0.50 O ATOM 2715 CB LYS B 68 1.332 -12.901 9.506 1.00 0.69 C ATOM 2716 CG LYS B 68 2.118 -13.940 8.727 1.00 0.56 C ATOM 2717 CD LYS B 68 1.523 -15.323 8.899 1.00 0.67 C ATOM 2718 CE LYS B 68 2.059 -16.293 7.864 1.00 0.69 C ATOM 2719 NZ LYS B 68 1.372 -17.607 7.936 1.00 1.04 N ATOM 0 H LYS B 68 3.843 -10.910 9.560 1.00 0.48 H new ATOM 0 HA LYS B 68 2.125 -11.324 8.268 1.00 0.55 H new ATOM 0 HB2 LYS B 68 1.372 -13.149 10.567 1.00 0.69 H new ATOM 0 HB3 LYS B 68 0.285 -12.950 9.206 1.00 0.69 H new ATOM 0 HG2 LYS B 68 2.127 -13.675 7.670 1.00 0.56 H new ATOM 0 HG3 LYS B 68 3.155 -13.943 9.064 1.00 0.56 H new ATOM 0 HD2 LYS B 68 1.748 -15.695 9.898 1.00 0.67 H new ATOM 0 HD3 LYS B 68 0.438 -15.266 8.817 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.931 -15.870 6.868 1.00 0.69 H new ATOM 0 HE3 LYS B 68 3.129 -16.433 8.016 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 1.873 -18.294 7.337 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 1.369 -17.944 8.920 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 0.392 -17.505 7.602 1.00 1.04 H new ATOM 2733 N GLY B 69 0.227 -9.819 8.578 1.00 0.50 N ATOM 2734 CA GLY B 69 -0.849 -8.856 8.731 1.00 0.59 C ATOM 2735 C GLY B 69 -0.432 -7.627 9.512 1.00 0.54 C ATOM 2736 O GLY B 69 -1.266 -6.956 10.125 1.00 0.57 O ATOM 0 H GLY B 69 0.557 -9.937 7.620 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.201 -8.552 7.745 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -1.689 -9.334 9.236 1.00 0.59 H new ATOM 2740 N GLN B 70 0.855 -7.331 9.493 1.00 0.50 N ATOM 2741 CA GLN B 70 1.374 -6.180 10.206 1.00 0.46 C ATOM 2742 C GLN B 70 2.421 -5.468 9.359 1.00 0.38 C ATOM 2743 O GLN B 70 3.007 -6.064 8.455 1.00 0.37 O ATOM 2744 CB GLN B 70 1.962 -6.609 11.554 1.00 0.50 C ATOM 2745 CG GLN B 70 2.124 -5.462 12.543 1.00 1.31 C ATOM 2746 CD GLN B 70 0.943 -4.507 12.540 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.940 -3.508 11.820 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.070 -4.808 13.333 1.00 2.32 N ATOM 0 H GLN B 70 1.559 -7.872 8.991 1.00 0.50 H new ATOM 0 HA GLN B 70 0.557 -5.485 10.398 1.00 0.46 H new ATOM 0 HB2 GLN B 70 1.319 -7.370 11.996 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.934 -7.072 11.386 1.00 0.50 H new ATOM 0 HG2 GLN B 70 2.253 -5.869 13.546 1.00 1.31 H new ATOM 0 HG3 GLN B 70 3.032 -4.909 12.304 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.031 -5.645 13.915 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -0.891 -4.204 13.363 1.00 2.32 H new ATOM 2757 N VAL B 71 2.634 -4.194 9.645 1.00 0.36 N ATOM 2758 CA VAL B 71 3.594 -3.395 8.908 1.00 0.32 C ATOM 2759 C VAL B 71 4.857 -3.156 9.734 1.00 0.31 C ATOM 2760 O VAL B 71 4.795 -2.679 10.871 1.00 0.39 O ATOM 2761 CB VAL B 71 2.974 -2.044 8.471 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.323 -1.333 9.648 1.00 1.28 C ATOM 2763 CG2 VAL B 71 4.017 -1.155 7.815 1.00 1.35 C ATOM 0 H VAL B 71 2.150 -3.690 10.388 1.00 0.36 H new ATOM 0 HA VAL B 71 3.869 -3.953 8.013 1.00 0.32 H new ATOM 0 HB VAL B 71 2.198 -2.257 7.736 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.896 -0.388 9.312 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.533 -1.961 10.061 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.072 -1.140 10.416 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.557 -0.213 7.517 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.823 -0.958 8.522 1.00 1.35 H new ATOM 0 HG23 VAL B 71 4.420 -1.656 6.935 1.00 1.35 H new ATOM 2773 N LEU B 72 5.996 -3.517 9.166 1.00 0.27 N ATOM 2774 CA LEU B 72 7.279 -3.336 9.823 1.00 0.29 C ATOM 2775 C LEU B 72 8.095 -2.295 9.072 1.00 0.31 C ATOM 2776 O LEU B 72 8.379 -2.453 7.882 1.00 0.44 O ATOM 2777 CB LEU B 72 8.046 -4.659 9.895 1.00 0.35 C ATOM 2778 CG LEU B 72 9.395 -4.589 10.617 1.00 0.44 C ATOM 2779 CD1 LEU B 72 9.201 -4.203 12.076 1.00 1.37 C ATOM 2780 CD2 LEU B 72 10.124 -5.917 10.511 1.00 1.05 C ATOM 0 H LEU B 72 6.057 -3.942 8.241 1.00 0.27 H new ATOM 0 HA LEU B 72 7.104 -2.991 10.842 1.00 0.29 H new ATOM 0 HB2 LEU B 72 7.420 -5.397 10.397 1.00 0.35 H new ATOM 0 HB3 LEU B 72 8.213 -5.020 8.880 1.00 0.35 H new ATOM 0 HG LEU B 72 10.003 -3.822 10.136 1.00 0.44 H new ATOM 0 HD11 LEU B 72 10.170 -4.158 12.573 1.00 1.37 H new ATOM 0 HD12 LEU B 72 8.719 -3.227 12.133 1.00 1.37 H new ATOM 0 HD13 LEU B 72 8.575 -4.947 12.569 1.00 1.37 H new ATOM 0 HD21 LEU B 72 11.080 -5.849 11.029 1.00 1.05 H new ATOM 0 HD22 LEU B 72 9.519 -6.701 10.966 1.00 1.05 H new ATOM 0 HD23 LEU B 72 10.296 -6.155 9.461 1.00 1.05 H new ATOM 2792 N SER B 73 8.458 -1.232 9.762 1.00 0.27 N ATOM 2793 CA SER B 73 9.225 -0.157 9.164 1.00 0.33 C ATOM 2794 C SER B 73 10.723 -0.343 9.396 1.00 0.28 C ATOM 2795 O SER B 73 11.203 -0.290 10.533 1.00 0.31 O ATOM 2796 CB SER B 73 8.762 1.185 9.729 1.00 0.48 C ATOM 2797 OG SER B 73 7.412 1.441 9.380 1.00 1.38 O ATOM 0 H SER B 73 8.232 -1.089 10.746 1.00 0.27 H new ATOM 0 HA SER B 73 9.054 -0.174 8.088 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.868 1.183 10.814 1.00 0.48 H new ATOM 0 HB3 SER B 73 9.398 1.984 9.348 1.00 0.48 H new ATOM 0 HG SER B 73 7.136 2.304 9.753 1.00 1.38 H new ATOM 2803 N VAL B 74 11.452 -0.574 8.314 1.00 0.29 N ATOM 2804 CA VAL B 74 12.894 -0.750 8.380 1.00 0.28 C ATOM 2805 C VAL B 74 13.591 0.457 7.758 1.00 0.23 C ATOM 2806 O VAL B 74 13.315 0.827 6.619 1.00 0.24 O ATOM 2807 CB VAL B 74 13.351 -2.055 7.677 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.749 -2.176 6.284 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.870 -2.133 7.612 1.00 0.41 C ATOM 0 H VAL B 74 11.064 -0.644 7.373 1.00 0.29 H new ATOM 0 HA VAL B 74 13.173 -0.832 9.431 1.00 0.28 H new ATOM 0 HB VAL B 74 12.988 -2.893 8.272 1.00 0.34 H new ATOM 0 HG11 VAL B 74 13.090 -3.101 5.820 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.662 -2.186 6.357 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.064 -1.328 5.676 1.00 0.35 H new ATOM 0 HG21 VAL B 74 15.166 -3.057 7.115 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.254 -1.280 7.052 1.00 0.41 H new ATOM 0 HG23 VAL B 74 15.279 -2.118 8.622 1.00 0.41 H new ATOM 2819 N MET B 75 14.473 1.086 8.515 1.00 0.21 N ATOM 2820 CA MET B 75 15.188 2.257 8.032 1.00 0.20 C ATOM 2821 C MET B 75 16.609 1.900 7.610 1.00 0.20 C ATOM 2822 O MET B 75 17.423 1.474 8.429 1.00 0.24 O ATOM 2823 CB MET B 75 15.219 3.342 9.110 1.00 0.26 C ATOM 2824 CG MET B 75 15.819 4.656 8.633 1.00 0.29 C ATOM 2825 SD MET B 75 15.848 5.920 9.921 1.00 0.41 S ATOM 2826 CE MET B 75 14.104 6.050 10.311 1.00 0.41 C ATOM 0 H MET B 75 14.712 0.807 9.466 1.00 0.21 H new ATOM 0 HA MET B 75 14.658 2.636 7.158 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.203 3.522 9.462 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.792 2.979 9.963 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.835 4.479 8.281 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.246 5.024 7.782 1.00 0.29 H new ATOM 0 HE1 MET B 75 13.903 7.023 10.758 1.00 0.41 H new ATOM 0 HE2 MET B 75 13.518 5.942 9.398 1.00 0.41 H new ATOM 0 HE3 MET B 75 13.829 5.264 11.014 1.00 0.41 H new ATOM 2836 N PHE B 76 16.892 2.077 6.332 1.00 0.21 N ATOM 2837 CA PHE B 76 18.209 1.792 5.781 1.00 0.23 C ATOM 2838 C PHE B 76 18.527 2.797 4.682 1.00 0.22 C ATOM 2839 O PHE B 76 17.824 3.797 4.534 1.00 0.21 O ATOM 2840 CB PHE B 76 18.270 0.356 5.237 1.00 0.26 C ATOM 2841 CG PHE B 76 17.240 0.051 4.182 1.00 0.27 C ATOM 2842 CD1 PHE B 76 17.496 0.317 2.845 1.00 0.31 C ATOM 2843 CD2 PHE B 76 16.020 -0.506 4.528 1.00 0.31 C ATOM 2844 CE1 PHE B 76 16.554 0.034 1.875 1.00 0.36 C ATOM 2845 CE2 PHE B 76 15.076 -0.790 3.562 1.00 0.37 C ATOM 2846 CZ PHE B 76 15.343 -0.519 2.234 1.00 0.38 C ATOM 0 H PHE B 76 16.219 2.421 5.647 1.00 0.21 H new ATOM 0 HA PHE B 76 18.954 1.881 6.572 1.00 0.23 H new ATOM 0 HB2 PHE B 76 19.262 0.179 4.822 1.00 0.26 H new ATOM 0 HB3 PHE B 76 18.142 -0.340 6.066 1.00 0.26 H new ATOM 0 HD1 PHE B 76 18.443 0.750 2.559 1.00 0.31 H new ATOM 0 HD2 PHE B 76 15.805 -0.720 5.564 1.00 0.31 H new ATOM 0 HE1 PHE B 76 16.766 0.246 0.837 1.00 0.36 H new ATOM 0 HE2 PHE B 76 14.128 -1.224 3.844 1.00 0.37 H new ATOM 0 HZ PHE B 76 14.604 -0.740 1.478 1.00 0.38 H new ATOM 2856 N ARG B 77 19.577 2.545 3.917 1.00 0.25 N ATOM 2857 CA ARG B 77 19.943 3.439 2.834 1.00 0.25 C ATOM 2858 C ARG B 77 19.715 2.769 1.487 1.00 0.23 C ATOM 2859 O ARG B 77 20.296 1.725 1.187 1.00 0.26 O ATOM 2860 CB ARG B 77 21.389 3.909 2.969 1.00 0.30 C ATOM 2861 CG ARG B 77 21.501 5.277 3.618 1.00 0.48 C ATOM 2862 CD ARG B 77 22.935 5.771 3.654 1.00 0.63 C ATOM 2863 NE ARG B 77 23.735 5.066 4.650 1.00 1.50 N ATOM 2864 CZ ARG B 77 25.015 5.338 4.901 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.636 6.291 4.220 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.673 4.660 5.834 1.00 2.97 N ATOM 0 H ARG B 77 20.186 1.734 4.026 1.00 0.25 H new ATOM 0 HA ARG B 77 19.302 4.319 2.893 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.949 3.184 3.560 1.00 0.30 H new ATOM 0 HB3 ARG B 77 21.850 3.940 1.982 1.00 0.30 H new ATOM 0 HG2 ARG B 77 20.885 5.990 3.070 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.108 5.230 4.633 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.387 5.643 2.670 1.00 0.63 H new ATOM 0 HD3 ARG B 77 22.944 6.839 3.872 1.00 0.63 H new ATOM 0 HE ARG B 77 23.288 4.322 5.185 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.134 6.816 3.504 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.616 6.499 4.412 1.00 1.59 H new ATOM 0 HH21 ARG B 77 25.199 3.927 6.362 1.00 2.97 H new ATOM 0 HH22 ARG B 77 26.653 4.872 6.023 1.00 2.97 H new ATOM 2880 N PHE B 78 18.860 3.380 0.689 1.00 0.24 N ATOM 2881 CA PHE B 78 18.519 2.866 -0.628 1.00 0.23 C ATOM 2882 C PHE B 78 19.327 3.598 -1.695 1.00 0.21 C ATOM 2883 O PHE B 78 19.735 4.742 -1.487 1.00 0.22 O ATOM 2884 CB PHE B 78 17.018 3.060 -0.874 1.00 0.27 C ATOM 2885 CG PHE B 78 16.427 2.132 -1.900 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.043 0.848 -1.553 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.249 2.550 -3.209 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.493 -0.004 -2.493 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.699 1.703 -4.153 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.321 0.426 -3.795 1.00 0.33 C ATOM 0 H PHE B 78 18.381 4.247 0.934 1.00 0.24 H new ATOM 0 HA PHE B 78 18.757 1.803 -0.679 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.488 2.923 0.069 1.00 0.27 H new ATOM 0 HB3 PHE B 78 16.845 4.088 -1.191 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.175 0.508 -0.536 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.543 3.549 -3.495 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.198 -1.004 -2.210 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.565 2.041 -5.170 1.00 0.37 H new ATOM 0 HZ PHE B 78 14.891 -0.237 -4.531 1.00 0.33 H new ATOM 2900 N ARG B 79 19.573 2.937 -2.820 1.00 0.25 N ATOM 2901 CA ARG B 79 20.320 3.546 -3.912 1.00 0.26 C ATOM 2902 C ARG B 79 19.370 4.209 -4.900 1.00 0.26 C ATOM 2903 O ARG B 79 18.420 3.587 -5.373 1.00 0.36 O ATOM 2904 CB ARG B 79 21.170 2.503 -4.641 1.00 0.36 C ATOM 2905 CG ARG B 79 21.997 3.086 -5.777 1.00 0.33 C ATOM 2906 CD ARG B 79 22.790 2.014 -6.504 1.00 0.56 C ATOM 2907 NE ARG B 79 22.304 1.796 -7.868 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.274 0.601 -8.463 1.00 1.28 C ATOM 2909 NH1 ARG B 79 22.668 -0.481 -7.803 1.00 1.06 N ATOM 2910 NH2 ARG B 79 21.844 0.488 -9.713 1.00 2.22 N ATOM 0 H ARG B 79 19.266 1.981 -2.999 1.00 0.25 H new ATOM 0 HA ARG B 79 20.981 4.301 -3.485 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.837 2.023 -3.925 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.517 1.726 -5.038 1.00 0.36 H new ATOM 0 HG2 ARG B 79 21.339 3.593 -6.483 1.00 0.33 H new ATOM 0 HG3 ARG B 79 22.680 3.838 -5.381 1.00 0.33 H new ATOM 0 HD2 ARG B 79 23.841 2.301 -6.536 1.00 0.56 H new ATOM 0 HD3 ARG B 79 22.732 1.080 -5.946 1.00 0.56 H new ATOM 0 HE ARG B 79 21.969 2.603 -8.394 1.00 1.04 H new ATOM 0 HH11 ARG B 79 22.994 -0.400 -6.840 1.00 1.06 H new ATOM 0 HH12 ARG B 79 22.644 -1.393 -8.259 1.00 1.06 H new ATOM 0 HH21 ARG B 79 21.535 1.316 -10.223 1.00 2.22 H new ATOM 0 HH22 ARG B 79 21.823 -0.427 -10.164 1.00 2.22 H new ATOM 2924 N SER B 80 19.622 5.471 -5.197 1.00 0.25 N ATOM 2925 CA SER B 80 18.799 6.207 -6.138 1.00 0.33 C ATOM 2926 C SER B 80 19.353 6.051 -7.548 1.00 0.32 C ATOM 2927 O SER B 80 20.366 5.378 -7.757 1.00 0.32 O ATOM 2928 CB SER B 80 18.776 7.689 -5.762 1.00 0.46 C ATOM 2929 OG SER B 80 20.058 8.274 -5.938 1.00 1.06 O ATOM 0 H SER B 80 20.392 6.008 -4.799 1.00 0.25 H new ATOM 0 HA SER B 80 17.785 5.809 -6.103 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.045 8.213 -6.377 1.00 0.46 H new ATOM 0 HB3 SER B 80 18.460 7.801 -4.725 1.00 0.46 H new ATOM 0 HG SER B 80 20.032 9.212 -5.654 1.00 1.06 H new ATOM 2935 N LYS B 81 18.695 6.684 -8.512 1.00 0.35 N ATOM 2936 CA LYS B 81 19.138 6.644 -9.900 1.00 0.37 C ATOM 2937 C LYS B 81 20.449 7.421 -10.042 1.00 0.40 C ATOM 2938 O LYS B 81 21.154 7.314 -11.045 1.00 0.48 O ATOM 2939 CB LYS B 81 18.057 7.238 -10.808 1.00 0.41 C ATOM 2940 CG LYS B 81 18.354 7.115 -12.293 1.00 0.45 C ATOM 2941 CD LYS B 81 18.241 5.679 -12.779 1.00 0.47 C ATOM 2942 CE LYS B 81 18.590 5.570 -14.254 1.00 0.67 C ATOM 2943 NZ LYS B 81 18.449 4.180 -14.759 1.00 1.69 N ATOM 0 H LYS B 81 17.850 7.233 -8.357 1.00 0.35 H new ATOM 0 HA LYS B 81 19.310 5.610 -10.199 1.00 0.37 H new ATOM 0 HB2 LYS B 81 17.109 6.744 -10.596 1.00 0.41 H new ATOM 0 HB3 LYS B 81 17.929 8.292 -10.561 1.00 0.41 H new ATOM 0 HG2 LYS B 81 17.662 7.743 -12.854 1.00 0.45 H new ATOM 0 HG3 LYS B 81 19.358 7.488 -12.494 1.00 0.45 H new ATOM 0 HD2 LYS B 81 18.907 5.042 -12.197 1.00 0.47 H new ATOM 0 HD3 LYS B 81 17.227 5.315 -12.615 1.00 0.47 H new ATOM 0 HE2 LYS B 81 17.943 6.232 -14.829 1.00 0.67 H new ATOM 0 HE3 LYS B 81 19.614 5.910 -14.410 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 18.445 4.187 -15.799 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 19.246 3.605 -14.420 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 17.557 3.774 -14.412 1.00 1.69 H new ATOM 2957 N ASN B 82 20.767 8.188 -9.003 1.00 0.39 N ATOM 2958 CA ASN B 82 21.984 8.989 -8.964 1.00 0.45 C ATOM 2959 C ASN B 82 23.104 8.184 -8.309 1.00 0.43 C ATOM 2960 O ASN B 82 24.205 8.691 -8.084 1.00 0.50 O ATOM 2961 CB ASN B 82 21.742 10.282 -8.173 1.00 0.53 C ATOM 2962 CG ASN B 82 20.436 10.969 -8.541 1.00 0.95 C ATOM 2963 OD1 ASN B 82 20.074 11.070 -9.715 1.00 1.75 O ATOM 2964 ND2 ASN B 82 19.709 11.435 -7.538 1.00 0.81 N ATOM 0 H ASN B 82 20.189 8.271 -8.167 1.00 0.39 H new ATOM 0 HA ASN B 82 22.272 9.249 -9.983 1.00 0.45 H new ATOM 0 HB2 ASN B 82 21.738 10.054 -7.107 1.00 0.53 H new ATOM 0 HB3 ASN B 82 22.570 10.969 -8.349 1.00 0.53 H new ATOM 0 HD21 ASN B 82 18.818 11.895 -7.725 1.00 0.81 H new ATOM 0 HD22 ASN B 82 20.040 11.334 -6.578 1.00 0.81 H new ATOM 2971 N GLN B 83 22.790 6.925 -7.990 1.00 0.37 N ATOM 2972 CA GLN B 83 23.733 5.992 -7.363 1.00 0.40 C ATOM 2973 C GLN B 83 24.148 6.449 -5.967 1.00 0.37 C ATOM 2974 O GLN B 83 25.215 6.084 -5.475 1.00 0.46 O ATOM 2975 CB GLN B 83 24.970 5.786 -8.243 1.00 0.53 C ATOM 2976 CG GLN B 83 24.869 4.576 -9.158 1.00 0.63 C ATOM 2977 CD GLN B 83 23.642 4.615 -10.051 1.00 0.90 C ATOM 2978 OE1 GLN B 83 22.592 4.063 -9.712 1.00 1.62 O ATOM 2979 NE2 GLN B 83 23.759 5.275 -11.191 1.00 0.87 N ATOM 0 H GLN B 83 21.869 6.521 -8.160 1.00 0.37 H new ATOM 0 HA GLN B 83 23.214 5.039 -7.259 1.00 0.40 H new ATOM 0 HB2 GLN B 83 25.127 6.678 -8.849 1.00 0.53 H new ATOM 0 HB3 GLN B 83 25.846 5.676 -7.604 1.00 0.53 H new ATOM 0 HG2 GLN B 83 25.763 4.520 -9.779 1.00 0.63 H new ATOM 0 HG3 GLN B 83 24.844 3.670 -8.553 1.00 0.63 H new ATOM 0 HE21 GLN B 83 24.645 5.718 -11.435 1.00 0.87 H new ATOM 0 HE22 GLN B 83 22.964 5.341 -11.826 1.00 0.87 H new ATOM 2988 N GLU B 84 23.299 7.239 -5.328 1.00 0.37 N ATOM 2989 CA GLU B 84 23.582 7.719 -3.985 1.00 0.38 C ATOM 2990 C GLU B 84 22.789 6.902 -2.973 1.00 0.31 C ATOM 2991 O GLU B 84 21.796 6.262 -3.329 1.00 0.42 O ATOM 2992 CB GLU B 84 23.251 9.211 -3.857 1.00 0.53 C ATOM 2993 CG GLU B 84 21.787 9.498 -3.573 1.00 1.22 C ATOM 2994 CD GLU B 84 21.328 10.815 -4.159 1.00 2.08 C ATOM 2995 OE1 GLU B 84 21.860 11.871 -3.757 1.00 2.45 O ATOM 2996 OE2 GLU B 84 20.427 10.794 -5.020 1.00 2.78 O ATOM 0 H GLU B 84 22.412 7.560 -5.716 1.00 0.37 H new ATOM 0 HA GLU B 84 24.646 7.597 -3.784 1.00 0.38 H new ATOM 0 HB2 GLU B 84 23.856 9.639 -3.058 1.00 0.53 H new ATOM 0 HB3 GLU B 84 23.537 9.716 -4.779 1.00 0.53 H new ATOM 0 HG2 GLU B 84 21.177 8.691 -3.980 1.00 1.22 H new ATOM 0 HG3 GLU B 84 21.625 9.508 -2.495 1.00 1.22 H new ATOM 3003 N TRP B 85 23.225 6.918 -1.725 1.00 0.32 N ATOM 3004 CA TRP B 85 22.549 6.173 -0.677 1.00 0.33 C ATOM 3005 C TRP B 85 21.732 7.112 0.197 1.00 0.33 C ATOM 3006 O TRP B 85 22.281 7.831 1.036 1.00 0.45 O ATOM 3007 CB TRP B 85 23.561 5.405 0.174 1.00 0.41 C ATOM 3008 CG TRP B 85 24.569 4.653 -0.638 1.00 0.42 C ATOM 3009 CD1 TRP B 85 25.871 5.001 -0.849 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.360 3.431 -1.354 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.484 4.071 -1.651 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.577 3.097 -1.974 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.262 2.584 -1.528 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.727 1.955 -2.757 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.412 1.451 -2.306 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.637 1.146 -2.911 1.00 0.97 C ATOM 0 H TRP B 85 24.044 7.439 -1.413 1.00 0.32 H new ATOM 0 HA TRP B 85 21.875 5.456 -1.145 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.081 6.105 0.828 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.027 4.705 0.817 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.350 5.880 -0.444 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.457 4.100 -1.957 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.314 2.810 -1.063 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.671 1.718 -3.225 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.570 0.790 -2.449 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.722 0.253 -3.512 1.00 0.97 H new ATOM 3027 N LEU B 86 20.425 7.106 -0.007 1.00 0.28 N ATOM 3028 CA LEU B 86 19.527 7.959 0.758 1.00 0.29 C ATOM 3029 C LEU B 86 18.846 7.162 1.862 1.00 0.26 C ATOM 3030 O LEU B 86 18.493 5.995 1.673 1.00 0.28 O ATOM 3031 CB LEU B 86 18.472 8.601 -0.153 1.00 0.34 C ATOM 3032 CG LEU B 86 17.586 7.623 -0.927 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.152 8.125 -0.973 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.122 7.421 -2.334 1.00 1.03 C ATOM 0 H LEU B 86 19.960 6.518 -0.698 1.00 0.28 H new ATOM 0 HA LEU B 86 20.122 8.753 1.210 1.00 0.29 H new ATOM 0 HB2 LEU B 86 17.832 9.240 0.456 1.00 0.34 H new ATOM 0 HB3 LEU B 86 18.980 9.248 -0.868 1.00 0.34 H new ATOM 0 HG LEU B 86 17.599 6.663 -0.410 1.00 0.42 H new ATOM 0 HD11 LEU B 86 15.536 7.417 -1.527 1.00 0.96 H new ATOM 0 HD12 LEU B 86 15.768 8.223 0.042 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.122 9.096 -1.467 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.480 6.723 -2.871 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.137 8.377 -2.858 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.134 7.019 -2.284 1.00 1.03 H new ATOM 3046 N TRP B 87 18.673 7.791 3.013 1.00 0.28 N ATOM 3047 CA TRP B 87 18.036 7.148 4.151 1.00 0.29 C ATOM 3048 C TRP B 87 16.539 7.002 3.900 1.00 0.29 C ATOM 3049 O TRP B 87 15.815 7.994 3.762 1.00 0.39 O ATOM 3050 CB TRP B 87 18.283 7.955 5.426 1.00 0.33 C ATOM 3051 CG TRP B 87 19.734 8.103 5.768 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.592 9.058 5.304 1.00 0.47 C ATOM 3053 CD2 TRP B 87 20.500 7.269 6.645 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.842 8.872 5.840 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.812 7.778 6.664 1.00 0.48 C ATOM 3056 CE3 TRP B 87 20.202 6.142 7.416 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 22.826 7.197 7.424 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 21.208 5.567 8.168 1.00 0.50 C ATOM 3059 CH2 TRP B 87 22.505 6.094 8.167 1.00 0.53 C ATOM 0 H TRP B 87 18.967 8.753 3.184 1.00 0.28 H new ATOM 0 HA TRP B 87 18.469 6.156 4.280 1.00 0.29 H new ATOM 0 HB2 TRP B 87 17.842 8.945 5.311 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.769 7.472 6.257 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.326 9.846 4.615 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.659 9.453 5.655 1.00 0.53 H new ATOM 0 HE3 TRP B 87 19.204 5.729 7.424 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 23.827 7.602 7.426 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 20.990 4.695 8.767 1.00 0.50 H new ATOM 0 HH2 TRP B 87 23.269 5.620 8.766 1.00 0.53 H new ATOM 3070 N MET B 88 16.078 5.767 3.843 1.00 0.31 N ATOM 3071 CA MET B 88 14.679 5.490 3.587 1.00 0.39 C ATOM 3072 C MET B 88 14.144 4.465 4.573 1.00 0.37 C ATOM 3073 O MET B 88 14.825 3.500 4.914 1.00 0.40 O ATOM 3074 CB MET B 88 14.505 4.984 2.153 1.00 0.52 C ATOM 3075 CG MET B 88 13.057 4.881 1.713 1.00 0.73 C ATOM 3076 SD MET B 88 12.735 5.765 0.175 1.00 1.53 S ATOM 3077 CE MET B 88 13.736 4.826 -0.974 1.00 0.91 C ATOM 0 H MET B 88 16.656 4.936 3.971 1.00 0.31 H new ATOM 0 HA MET B 88 14.113 6.413 3.713 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.035 5.653 1.475 1.00 0.52 H new ATOM 0 HB3 MET B 88 14.973 4.004 2.064 1.00 0.52 H new ATOM 0 HG2 MET B 88 12.794 3.831 1.586 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.414 5.279 2.498 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.301 4.890 -1.972 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.747 5.232 -0.992 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.770 3.783 -0.659 1.00 0.91 H new ATOM 3087 N ARG B 89 12.933 4.698 5.047 1.00 0.36 N ATOM 3088 CA ARG B 89 12.284 3.793 5.976 1.00 0.37 C ATOM 3089 C ARG B 89 11.173 3.048 5.252 1.00 0.36 C ATOM 3090 O ARG B 89 10.111 3.611 4.978 1.00 0.42 O ATOM 3091 CB ARG B 89 11.717 4.561 7.170 1.00 0.44 C ATOM 3092 CG ARG B 89 10.981 3.675 8.162 1.00 0.58 C ATOM 3093 CD ARG B 89 9.738 4.362 8.699 1.00 0.97 C ATOM 3094 NE ARG B 89 8.771 4.661 7.642 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.645 5.340 7.845 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.314 5.733 9.068 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.839 5.613 6.829 1.00 3.80 N ATOM 0 H ARG B 89 12.375 5.515 4.800 1.00 0.36 H new ATOM 0 HA ARG B 89 13.017 3.079 6.352 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.531 5.071 7.684 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.036 5.331 6.807 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.702 2.739 7.679 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.645 3.422 8.989 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.269 3.725 9.449 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.024 5.287 9.200 1.00 0.97 H new ATOM 0 HE ARG B 89 8.971 4.331 6.698 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.923 5.515 9.856 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.450 6.253 9.220 1.00 2.41 H new ATOM 0 HH21 ARG B 89 7.081 5.302 5.888 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.976 6.134 6.988 1.00 3.80 H new ATOM 3111 N THR B 90 11.427 1.794 4.937 1.00 0.33 N ATOM 3112 CA THR B 90 10.471 0.975 4.222 1.00 0.34 C ATOM 3113 C THR B 90 9.515 0.250 5.166 1.00 0.31 C ATOM 3114 O THR B 90 9.905 -0.665 5.893 1.00 0.34 O ATOM 3115 CB THR B 90 11.202 -0.054 3.348 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.431 0.507 2.877 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.348 -0.472 2.167 1.00 0.43 C ATOM 0 H THR B 90 12.298 1.316 5.168 1.00 0.33 H new ATOM 0 HA THR B 90 9.882 1.644 3.595 1.00 0.34 H new ATOM 0 HB THR B 90 11.405 -0.938 3.953 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.293 0.898 1.989 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.891 -1.201 1.565 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.421 -0.917 2.528 1.00 0.43 H new ATOM 0 HG23 THR B 90 10.117 0.402 1.557 1.00 0.43 H new ATOM 3125 N SER B 91 8.268 0.684 5.157 1.00 0.28 N ATOM 3126 CA SER B 91 7.234 0.079 5.972 1.00 0.27 C ATOM 3127 C SER B 91 6.583 -1.067 5.200 1.00 0.23 C ATOM 3128 O SER B 91 5.635 -0.863 4.440 1.00 0.28 O ATOM 3129 CB SER B 91 6.197 1.134 6.351 1.00 0.36 C ATOM 3130 OG SER B 91 6.826 2.291 6.876 1.00 0.97 O ATOM 0 H SER B 91 7.945 1.464 4.585 1.00 0.28 H new ATOM 0 HA SER B 91 7.671 -0.321 6.887 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.606 1.401 5.475 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.506 0.724 7.088 1.00 0.36 H new ATOM 0 HG SER B 91 7.210 2.085 7.754 1.00 0.97 H new ATOM 3136 N SER B 92 7.112 -2.263 5.382 1.00 0.23 N ATOM 3137 CA SER B 92 6.609 -3.438 4.686 1.00 0.28 C ATOM 3138 C SER B 92 5.423 -4.056 5.417 1.00 0.26 C ATOM 3139 O SER B 92 5.491 -4.321 6.615 1.00 0.36 O ATOM 3140 CB SER B 92 7.731 -4.462 4.539 1.00 0.36 C ATOM 3141 OG SER B 92 8.915 -3.844 4.064 1.00 1.27 O ATOM 0 H SER B 92 7.895 -2.449 6.009 1.00 0.23 H new ATOM 0 HA SER B 92 6.262 -3.130 3.700 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.924 -4.938 5.500 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.424 -5.249 3.850 1.00 0.36 H new ATOM 0 HG SER B 92 9.669 -4.099 4.636 1.00 1.27 H new ATOM 3147 N PHE B 93 4.339 -4.268 4.689 1.00 0.25 N ATOM 3148 CA PHE B 93 3.135 -4.859 5.248 1.00 0.27 C ATOM 3149 C PHE B 93 2.871 -6.218 4.604 1.00 0.25 C ATOM 3150 O PHE B 93 2.994 -6.369 3.387 1.00 0.25 O ATOM 3151 CB PHE B 93 1.944 -3.921 5.021 1.00 0.33 C ATOM 3152 CG PHE B 93 0.680 -4.357 5.710 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.207 -5.219 5.085 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.380 -3.904 6.984 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.365 -5.623 5.719 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -0.776 -4.303 7.622 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.650 -5.165 6.988 1.00 0.50 C ATOM 0 H PHE B 93 4.269 -4.036 3.698 1.00 0.25 H new ATOM 0 HA PHE B 93 3.271 -5.003 6.320 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.210 -2.923 5.370 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.754 -3.845 3.950 1.00 0.33 H new ATOM 0 HD1 PHE B 93 0.010 -5.579 4.090 1.00 0.35 H new ATOM 0 HD2 PHE B 93 1.060 -3.230 7.484 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.047 -6.297 5.222 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -0.998 -3.942 8.616 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.555 -5.480 7.486 1.00 0.50 H new ATOM 3167 N THR B 94 2.528 -7.205 5.419 1.00 0.30 N ATOM 3168 CA THR B 94 2.246 -8.541 4.917 1.00 0.31 C ATOM 3169 C THR B 94 0.795 -8.660 4.452 1.00 0.33 C ATOM 3170 O THR B 94 -0.129 -8.680 5.266 1.00 0.37 O ATOM 3171 CB THR B 94 2.519 -9.609 5.993 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.904 -8.982 7.226 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.614 -10.564 5.539 1.00 0.37 C ATOM 0 H THR B 94 2.438 -7.106 6.430 1.00 0.30 H new ATOM 0 HA THR B 94 2.909 -8.710 4.069 1.00 0.31 H new ATOM 0 HB THR B 94 1.602 -10.178 6.149 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.662 -9.465 7.616 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.791 -11.310 6.314 1.00 0.37 H new ATOM 0 HG22 THR B 94 3.305 -11.062 4.620 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.532 -10.005 5.357 1.00 0.37 H new ATOM 3181 N PHE B 95 0.602 -8.720 3.141 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.729 -8.845 2.565 1.00 0.41 C ATOM 3183 C PHE B 95 -1.136 -10.313 2.524 1.00 0.45 C ATOM 3184 O PHE B 95 -0.454 -11.134 1.906 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.744 -8.256 1.154 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.957 -7.434 0.844 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.286 -6.341 1.624 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.762 -7.749 -0.236 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -3.397 -5.577 1.334 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.873 -6.988 -0.532 1.00 0.98 C ATOM 3191 CZ PHE B 95 -4.191 -5.900 0.254 1.00 0.78 C ATOM 0 H PHE B 95 1.355 -8.684 2.454 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.440 -8.296 3.183 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.144 -7.638 1.021 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -0.676 -9.070 0.432 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -1.666 -6.083 2.470 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -2.518 -8.600 -0.854 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -3.645 -4.727 1.952 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -4.494 -7.243 -1.378 1.00 0.98 H new ATOM 0 HZ PHE B 95 -5.060 -5.302 0.024 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.238 -10.646 3.177 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.699 -12.024 3.216 1.00 0.56 C ATOM 3203 C GLN B 96 -4.184 -12.129 2.906 1.00 0.63 C ATOM 3204 O GLN B 96 -4.951 -11.198 3.156 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.416 -12.637 4.582 1.00 0.60 C ATOM 3206 CG GLN B 96 -0.993 -13.134 4.741 1.00 0.74 C ATOM 3207 CD GLN B 96 -0.447 -12.869 6.124 1.00 0.88 C ATOM 3208 OE1 GLN B 96 0.257 -11.886 6.351 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -0.785 -13.732 7.064 1.00 0.91 N ATOM 0 H GLN B 96 -2.827 -9.985 3.684 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.153 -12.573 2.449 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.621 -11.895 5.354 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -3.103 -13.467 4.748 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -0.959 -14.204 4.538 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.356 -12.649 4.002 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -1.371 -14.534 6.833 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -0.460 -13.596 8.021 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.568 -13.278 2.370 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.949 -13.561 2.014 1.00 0.91 C ATOM 3220 C ASN B 97 -6.742 -13.968 3.249 1.00 0.97 C ATOM 3221 O ASN B 97 -6.256 -14.742 4.078 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.981 -14.695 0.990 1.00 1.06 C ATOM 3223 CG ASN B 97 -6.672 -14.313 -0.300 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -7.689 -13.621 -0.301 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -6.114 -14.758 -1.414 1.00 1.65 N ATOM 0 H ASN B 97 -3.926 -14.044 2.169 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.399 -12.664 1.589 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -4.960 -15.006 0.769 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.489 -15.555 1.426 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -6.527 -14.530 -2.318 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -5.270 -15.329 -1.369 1.00 1.65 H new ATOM 3232 N PRO B 98 -7.971 -13.456 3.394 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.838 -13.770 4.533 1.00 1.28 C ATOM 3234 C PRO B 98 -9.578 -15.101 4.365 1.00 1.35 C ATOM 3235 O PRO B 98 -10.755 -15.221 4.718 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.825 -12.606 4.528 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.953 -12.234 3.090 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.610 -12.503 2.465 1.00 1.26 C ATOM 0 HA PRO B 98 -8.277 -13.883 5.461 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.787 -12.899 4.950 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -9.457 -11.770 5.123 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.733 -12.820 2.604 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.229 -11.185 2.982 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.712 -12.926 1.466 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.025 -11.589 2.366 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.887 -16.096 3.827 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.483 -17.407 3.615 1.00 1.52 C ATOM 3248 C TYR B 99 -8.729 -18.480 4.393 1.00 1.54 C ATOM 3249 O TYR B 99 -9.222 -19.000 5.394 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.489 -17.764 2.128 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.445 -16.942 1.294 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.811 -17.198 1.308 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -9.979 -15.922 0.477 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -12.684 -16.459 0.533 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -10.845 -15.182 -0.303 1.00 2.10 C ATOM 3256 CZ TYR B 99 -12.195 -15.453 -0.271 1.00 2.50 C ATOM 3257 OH TYR B 99 -13.055 -14.724 -1.063 1.00 2.90 O ATOM 0 H TYR B 99 -7.914 -16.020 3.530 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.511 -17.365 3.976 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.481 -17.639 1.732 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.746 -18.818 2.021 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.197 -17.988 1.935 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -8.922 -15.703 0.451 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -13.743 -16.669 0.557 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -10.465 -14.394 -0.936 1.00 2.10 H new ATOM 0 HH TYR B 99 -13.045 -13.786 -0.779 1.00 2.90 H new ATOM 3267 N SER B 100 -7.528 -18.795 3.936 1.00 1.37 N ATOM 3268 CA SER B 100 -6.703 -19.811 4.570 1.00 1.42 C ATOM 3269 C SER B 100 -5.313 -19.251 4.867 1.00 1.24 C ATOM 3270 O SER B 100 -4.323 -19.986 4.870 1.00 1.29 O ATOM 3271 CB SER B 100 -6.599 -21.038 3.656 1.00 1.52 C ATOM 3272 OG SER B 100 -7.575 -20.994 2.622 1.00 2.27 O ATOM 0 H SER B 100 -7.099 -18.357 3.121 1.00 1.37 H new ATOM 0 HA SER B 100 -7.164 -20.109 5.512 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.602 -21.084 3.217 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.730 -21.946 4.245 1.00 1.52 H new ATOM 0 HG SER B 100 -7.239 -20.453 1.878 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.261 -17.942 5.114 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.016 -17.236 5.414 1.00 0.96 C ATOM 3280 C ASP B 101 -3.025 -17.346 4.255 1.00 0.87 C ATOM 3281 O ASP B 101 -1.820 -17.520 4.455 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.387 -17.759 6.709 1.00 1.15 C ATOM 3283 CG ASP B 101 -2.406 -16.772 7.313 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -2.760 -15.579 7.442 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -1.280 -17.186 7.664 1.00 2.06 O ATOM 0 H ASP B 101 -6.084 -17.340 5.112 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.260 -16.183 5.552 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.174 -17.974 7.432 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -2.875 -18.700 6.507 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.544 -17.257 3.039 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.715 -17.324 1.844 1.00 0.85 C ATOM 3292 C GLU B 102 -1.991 -16.000 1.651 1.00 0.72 C ATOM 3293 O GLU B 102 -2.626 -14.955 1.528 1.00 0.72 O ATOM 3294 CB GLU B 102 -3.567 -17.633 0.608 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.421 -18.881 0.744 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.842 -18.576 1.170 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -6.036 -17.706 2.042 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -6.775 -19.219 0.646 1.00 1.82 O ATOM 0 H GLU B 102 -4.540 -17.138 2.853 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.987 -18.125 1.970 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -4.216 -16.781 0.404 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.910 -17.747 -0.254 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -4.438 -19.410 -0.209 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.964 -19.551 1.472 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.668 -16.036 1.641 1.00 0.68 N ATOM 3306 CA ILE B 103 0.111 -14.820 1.471 1.00 0.59 C ATOM 3307 C ILE B 103 0.003 -14.313 0.038 1.00 0.61 C ATOM 3308 O ILE B 103 0.280 -15.041 -0.916 1.00 0.74 O ATOM 3309 CB ILE B 103 1.593 -15.033 1.843 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.709 -15.547 3.282 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.375 -13.736 1.670 1.00 0.56 C ATOM 3312 CD1 ILE B 103 3.121 -15.921 3.683 1.00 0.99 C ATOM 0 H ILE B 103 -0.115 -16.886 1.748 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.301 -14.073 2.149 1.00 0.59 H new ATOM 0 HB ILE B 103 2.019 -15.781 1.174 1.00 0.62 H new ATOM 0 HG12 ILE B 103 1.338 -14.781 3.963 1.00 0.67 H new ATOM 0 HG13 ILE B 103 1.064 -16.418 3.400 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.419 -13.902 1.936 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.313 -13.409 0.632 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.953 -12.968 2.318 1.00 0.56 H new ATOM 0 HD11 ILE B 103 3.125 -16.276 4.714 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.489 -16.709 3.026 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.767 -15.047 3.598 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.425 -13.069 -0.099 1.00 0.54 N ATOM 3325 CA GLU B 104 -0.578 -12.451 -1.404 1.00 0.59 C ATOM 3326 C GLU B 104 0.745 -11.856 -1.863 1.00 0.51 C ATOM 3327 O GLU B 104 1.325 -12.293 -2.858 1.00 0.56 O ATOM 3328 CB GLU B 104 -1.654 -11.366 -1.349 1.00 0.69 C ATOM 3329 CG GLU B 104 -3.039 -11.905 -1.031 1.00 0.85 C ATOM 3330 CD GLU B 104 -3.888 -12.109 -2.269 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -3.496 -12.909 -3.149 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -4.952 -11.464 -2.374 1.00 1.33 O ATOM 0 H GLU B 104 -0.674 -12.464 0.684 1.00 0.54 H new ATOM 0 HA GLU B 104 -0.885 -13.214 -2.120 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -1.378 -10.628 -0.596 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -1.685 -10.847 -2.307 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -2.942 -12.853 -0.502 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -3.547 -11.215 -0.357 1.00 0.85 H new ATOM 3339 N TYR B 105 1.224 -10.865 -1.123 1.00 0.42 N ATOM 3340 CA TYR B 105 2.481 -10.204 -1.443 1.00 0.40 C ATOM 3341 C TYR B 105 2.911 -9.310 -0.289 1.00 0.33 C ATOM 3342 O TYR B 105 2.156 -9.101 0.660 1.00 0.37 O ATOM 3343 CB TYR B 105 2.365 -9.389 -2.746 1.00 0.46 C ATOM 3344 CG TYR B 105 1.194 -8.424 -2.798 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.286 -7.155 -2.241 1.00 0.45 C ATOM 3346 CD2 TYR B 105 0.003 -8.780 -3.422 1.00 0.59 C ATOM 3347 CE1 TYR B 105 0.226 -6.270 -2.299 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -1.062 -7.901 -3.485 1.00 0.67 C ATOM 3349 CZ TYR B 105 -0.946 -6.646 -2.923 1.00 0.65 C ATOM 3350 OH TYR B 105 -2.006 -5.767 -2.975 1.00 0.77 O ATOM 0 H TYR B 105 0.758 -10.500 -0.293 1.00 0.42 H new ATOM 0 HA TYR B 105 3.241 -10.971 -1.597 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.287 -8.825 -2.887 1.00 0.46 H new ATOM 0 HB3 TYR B 105 2.283 -10.082 -3.584 1.00 0.46 H new ATOM 0 HD1 TYR B 105 2.202 -6.855 -1.754 1.00 0.45 H new ATOM 0 HD2 TYR B 105 -0.091 -9.760 -3.865 1.00 0.59 H new ATOM 0 HE1 TYR B 105 0.315 -5.288 -1.858 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -1.980 -8.195 -3.972 1.00 0.67 H new ATOM 0 HH TYR B 105 -2.125 -5.452 -3.895 1.00 0.77 H new ATOM 3360 N ILE B 106 4.126 -8.798 -0.364 1.00 0.26 N ATOM 3361 CA ILE B 106 4.642 -7.921 0.673 1.00 0.25 C ATOM 3362 C ILE B 106 4.731 -6.498 0.142 1.00 0.26 C ATOM 3363 O ILE B 106 5.566 -6.193 -0.712 1.00 0.28 O ATOM 3364 CB ILE B 106 6.030 -8.374 1.178 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.976 -9.826 1.659 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.511 -7.462 2.300 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.327 -10.393 2.048 1.00 0.36 C ATOM 0 H ILE B 106 4.774 -8.974 -1.132 1.00 0.26 H new ATOM 0 HA ILE B 106 3.953 -7.965 1.516 1.00 0.25 H new ATOM 0 HB ILE B 106 6.737 -8.309 0.351 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.305 -9.890 2.516 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.546 -10.444 0.871 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.490 -7.795 2.645 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.584 -6.439 1.931 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.803 -7.499 3.128 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.207 -11.425 2.378 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.996 -10.362 1.188 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.751 -9.800 2.858 1.00 0.36 H new ATOM 3379 N ILE B 107 3.854 -5.639 0.634 1.00 0.29 N ATOM 3380 CA ILE B 107 3.823 -4.247 0.211 1.00 0.34 C ATOM 3381 C ILE B 107 4.773 -3.416 1.055 1.00 0.40 C ATOM 3382 O ILE B 107 4.482 -3.102 2.207 1.00 0.52 O ATOM 3383 CB ILE B 107 2.407 -3.639 0.305 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.454 -4.586 1.042 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.883 -3.314 -1.085 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.191 -3.912 1.524 1.00 0.79 C ATOM 0 H ILE B 107 3.150 -5.882 1.331 1.00 0.29 H new ATOM 0 HA ILE B 107 4.134 -4.229 -0.834 1.00 0.34 H new ATOM 0 HB ILE B 107 2.464 -2.713 0.878 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.187 -5.409 0.379 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.974 -5.020 1.896 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.884 -2.886 -1.006 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.548 -2.597 -1.566 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.841 -4.226 -1.680 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.437 -4.640 2.037 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.448 -3.107 2.212 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.351 -3.502 0.672 1.00 0.79 H new ATOM 3398 N CYS B 108 5.918 -3.084 0.487 1.00 0.39 N ATOM 3399 CA CYS B 108 6.909 -2.295 1.192 1.00 0.47 C ATOM 3400 C CYS B 108 6.733 -0.806 0.900 1.00 0.37 C ATOM 3401 O CYS B 108 6.955 -0.348 -0.224 1.00 0.43 O ATOM 3402 CB CYS B 108 8.314 -2.760 0.811 1.00 0.61 C ATOM 3403 SG CYS B 108 8.571 -2.948 -0.967 1.00 1.55 S ATOM 0 H CYS B 108 6.184 -3.349 -0.461 1.00 0.39 H new ATOM 0 HA CYS B 108 6.770 -2.441 2.263 1.00 0.47 H new ATOM 0 HB2 CYS B 108 9.039 -2.045 1.199 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.514 -3.714 1.299 1.00 0.61 H new ATOM 0 HG CYS B 108 9.789 -3.343 -1.190 1.00 1.55 H new ATOM 3409 N THR B 109 6.307 -0.065 1.911 1.00 0.32 N ATOM 3410 CA THR B 109 6.104 1.369 1.785 1.00 0.29 C ATOM 3411 C THR B 109 7.422 2.110 1.982 1.00 0.26 C ATOM 3412 O THR B 109 7.845 2.361 3.108 1.00 0.27 O ATOM 3413 CB THR B 109 5.075 1.877 2.814 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.966 0.968 2.883 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.578 3.267 2.445 1.00 0.49 C ATOM 0 H THR B 109 6.094 -0.438 2.836 1.00 0.32 H new ATOM 0 HA THR B 109 5.722 1.563 0.783 1.00 0.29 H new ATOM 0 HB THR B 109 5.562 1.933 3.787 1.00 0.39 H new ATOM 0 HG1 THR B 109 4.222 0.178 3.403 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.853 3.603 3.186 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.419 3.960 2.420 1.00 0.49 H new ATOM 0 HG23 THR B 109 4.105 3.236 1.463 1.00 0.49 H new ATOM 3423 N ASN B 110 8.067 2.447 0.881 1.00 0.35 N ATOM 3424 CA ASN B 110 9.342 3.146 0.917 1.00 0.40 C ATOM 3425 C ASN B 110 9.139 4.624 1.213 1.00 0.45 C ATOM 3426 O ASN B 110 8.705 5.386 0.349 1.00 0.57 O ATOM 3427 CB ASN B 110 10.073 2.976 -0.414 1.00 0.53 C ATOM 3428 CG ASN B 110 11.305 2.101 -0.298 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.954 2.058 0.745 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.634 1.392 -1.368 1.00 1.84 N ATOM 0 H ASN B 110 7.726 2.246 -0.059 1.00 0.35 H new ATOM 0 HA ASN B 110 9.947 2.714 1.714 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.391 2.541 -1.145 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.363 3.956 -0.792 1.00 0.53 H new ATOM 0 HD21 ASN B 110 12.452 0.783 -1.345 1.00 1.84 H new ATOM 0 HD22 ASN B 110 11.069 1.455 -2.215 1.00 1.84 H new ATOM 3437 N THR B 111 9.425 5.017 2.444 1.00 0.39 N ATOM 3438 CA THR B 111 9.282 6.404 2.855 1.00 0.41 C ATOM 3439 C THR B 111 10.644 7.035 3.116 1.00 0.38 C ATOM 3440 O THR B 111 11.339 6.657 4.062 1.00 0.43 O ATOM 3441 CB THR B 111 8.433 6.513 4.133 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.391 5.528 4.113 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.826 7.903 4.270 1.00 0.52 C ATOM 0 H THR B 111 9.759 4.392 3.178 1.00 0.39 H new ATOM 0 HA THR B 111 8.785 6.934 2.043 1.00 0.41 H new ATOM 0 HB THR B 111 9.084 6.337 4.990 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.519 5.973 4.154 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.231 7.952 5.182 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.623 8.645 4.317 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.189 8.108 3.410 1.00 0.52 H new ATOM 3451 N ASN B 112 11.033 7.978 2.271 1.00 0.36 N ATOM 3452 CA ASN B 112 12.312 8.660 2.430 1.00 0.36 C ATOM 3453 C ASN B 112 12.282 9.539 3.679 1.00 0.34 C ATOM 3454 O ASN B 112 11.368 10.347 3.853 1.00 0.37 O ATOM 3455 CB ASN B 112 12.635 9.490 1.183 1.00 0.45 C ATOM 3456 CG ASN B 112 13.695 10.543 1.439 1.00 0.39 C ATOM 3457 OD1 ASN B 112 13.383 11.717 1.617 1.00 0.71 O ATOM 3458 ND2 ASN B 112 14.951 10.128 1.465 1.00 0.42 N ATOM 0 H ASN B 112 10.484 8.289 1.470 1.00 0.36 H new ATOM 0 HA ASN B 112 13.099 7.915 2.551 1.00 0.36 H new ATOM 0 HB2 ASN B 112 12.973 8.826 0.387 1.00 0.45 H new ATOM 0 HB3 ASN B 112 11.725 9.975 0.829 1.00 0.45 H new ATOM 0 HD21 ASN B 112 15.704 10.793 1.638 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.166 9.143 1.312 1.00 0.42 H new ATOM 3465 N VAL B 113 13.277 9.378 4.547 1.00 0.36 N ATOM 3466 CA VAL B 113 13.325 10.139 5.792 1.00 0.44 C ATOM 3467 C VAL B 113 14.381 11.243 5.761 1.00 0.50 C ATOM 3468 O VAL B 113 14.312 12.194 6.543 1.00 0.78 O ATOM 3469 CB VAL B 113 13.588 9.216 7.005 1.00 0.52 C ATOM 3470 CG1 VAL B 113 12.530 8.125 7.088 1.00 0.98 C ATOM 3471 CG2 VAL B 113 14.979 8.602 6.936 1.00 0.83 C ATOM 0 H VAL B 113 14.055 8.733 4.413 1.00 0.36 H new ATOM 0 HA VAL B 113 12.346 10.606 5.897 1.00 0.44 H new ATOM 0 HB VAL B 113 13.531 9.825 7.907 1.00 0.52 H new ATOM 0 HG11 VAL B 113 12.733 7.486 7.948 1.00 0.98 H new ATOM 0 HG12 VAL B 113 11.546 8.580 7.198 1.00 0.98 H new ATOM 0 HG13 VAL B 113 12.553 7.526 6.178 1.00 0.98 H new ATOM 0 HG21 VAL B 113 15.136 7.958 7.801 1.00 0.83 H new ATOM 0 HG22 VAL B 113 15.072 8.013 6.024 1.00 0.83 H new ATOM 0 HG23 VAL B 113 15.727 9.395 6.933 1.00 0.83 H new ATOM 3481 N LYS B 114 15.357 11.120 4.870 1.00 0.66 N ATOM 3482 CA LYS B 114 16.417 12.113 4.764 1.00 0.80 C ATOM 3483 C LYS B 114 16.683 12.465 3.308 1.00 0.96 C ATOM 3484 O LYS B 114 16.601 13.661 2.964 1.00 1.54 O ATOM 3485 CB LYS B 114 17.702 11.612 5.426 1.00 1.37 C ATOM 3486 CG LYS B 114 17.655 11.623 6.944 1.00 1.56 C ATOM 3487 CD LYS B 114 18.993 11.238 7.547 1.00 2.38 C ATOM 3488 CE LYS B 114 18.989 11.402 9.056 1.00 2.81 C ATOM 3489 NZ LYS B 114 20.312 11.088 9.657 1.00 3.21 N ATOM 3490 OXT LYS B 114 16.957 11.547 2.512 1.00 0.67 O ATOM 0 H LYS B 114 15.436 10.344 4.212 1.00 0.66 H new ATOM 0 HA LYS B 114 16.086 13.011 5.285 1.00 0.80 H new ATOM 0 HB2 LYS B 114 17.903 10.596 5.086 1.00 1.37 H new ATOM 0 HB3 LYS B 114 18.536 12.230 5.093 1.00 1.37 H new ATOM 0 HG2 LYS B 114 17.370 12.616 7.293 1.00 1.56 H new ATOM 0 HG3 LYS B 114 16.887 10.931 7.290 1.00 1.56 H new ATOM 0 HD2 LYS B 114 19.224 10.204 7.293 1.00 2.38 H new ATOM 0 HD3 LYS B 114 19.780 11.856 7.115 1.00 2.38 H new ATOM 0 HE2 LYS B 114 18.711 12.425 9.308 1.00 2.81 H new ATOM 0 HE3 LYS B 114 18.231 10.750 9.489 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 20.263 11.213 10.688 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 20.567 10.104 9.439 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 21.032 11.727 9.264 1.00 3.21 H new