USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot -172:sc= 0.512 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 165:sc= 0.569 (180deg=0) USER MOD Set 2.1: A 81 MET CE :methyl -167:sc= -0.502 (180deg=-0.027) USER MOD Set 2.2: A 113 SER OG : rot -63:sc= -0.996! USER MOD Set 2.3: A 116 HIS : no HE2:sc= -3.92! C(o=-6.1!,f=-7.3!) USER MOD Set 2.4: A 119 LYS NZ :NH3+ -139:sc= -0.636 (180deg=0) USER MOD Set 3.1: A 110 THR OG1 : rot 105:sc= -1.36! USER MOD Set 3.2: A 139 TYR OH : rot -30:sc= 0.952 USER MOD Set 4.1: A 106 ASN : amide:sc= 0.264 K(o=0.49,f=-4.5!) USER MOD Set 4.2: A 107 HIS : no HE2:sc= 0.228 K(o=0.49,f=-1.2!) USER MOD Set 5.1: A 90 SER OG : rot -109:sc= 1.37 USER MOD Set 5.2: A 92 THR OG1 : rot 40:sc= 0.649 USER MOD Set 6.1: A 72 SER OG : rot 121:sc= 1.03 USER MOD Set 6.2: A 75 THR OG1 : rot 180:sc= -0.75 USER MOD Set 7.1: A 59 GLN : amide:sc= 0 X(o=0.56,f=0.39) USER MOD Set 7.2: A 73 THR OG1 : rot -16:sc= 0.559 USER MOD Set 8.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 54 GLN : amide:sc= 0.285 K(o=-0.42,f=-1.6) USER MOD Set 8.3: A 55 HIS : no HD1:sc= -0.707 K(o=-0.42,f=-1.1) USER MOD Set 9.1: A 32 ASN : amide:sc= -0.345 K(o=-2.4,f=-5.3!) USER MOD Set 9.2: A 35 HIS : no HE2:sc= -2.04 K(o=-2.4,f=-6.4!) USER MOD Single : A 30 CYS SG : rot 95:sc= -1.62! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 106:sc= 0.0471 USER MOD Single : A 57 GLN : amide:sc= -0.0272 K(o=-0.027,f=-2.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -47:sc= 1.41 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= -0.425 (180deg=-0.519) USER MOD Single : A 77 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.9!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 88 TYR OH : rot -15:sc= 1.19 USER MOD Single : A 91 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.68) USER MOD Single : A 94 ASN : amide:sc= -1.07 K(o=-1.1,f=-7.4!) USER MOD Single : A 97 CYS SG : rot -22:sc= -4.82! USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.1) USER MOD Single : A 111 TYR OH : rot 8:sc= -1.2 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 133:sc= -1.02 (180deg=-2.74!) USER MOD Single : A 127 LYS NZ :NH3+ 160:sc= -0.0363 (180deg=-0.671) USER MOD Single : A 128 ASN : amide:sc= 1.17 K(o=1.2,f=-0.039) USER MOD Single : A 130 SER OG : rot 26:sc= 1.13 USER MOD Single : A 131 CYS SG : rot 159:sc= -1.03 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 12:sc= 1.63 USER MOD Single : A 138 HIS : no HE2:sc= 0.588 K(o=0.59,f=-2.8!) USER MOD Single : A 141 GLN : amide:sc= -0.0558 K(o=-0.056,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 21 N CYS A 30 -9.928 5.087 2.656 1.00 0.00 N ATOM 22 CA CYS A 30 -9.890 3.693 2.187 1.00 0.00 C ATOM 23 C CYS A 30 -11.196 2.986 2.550 1.00 0.00 C ATOM 24 O CYS A 30 -11.784 3.232 3.599 1.00 0.00 O ATOM 25 CB CYS A 30 -8.721 2.902 2.813 1.00 0.00 C ATOM 26 SG CYS A 30 -7.229 3.874 3.237 1.00 0.00 S ATOM 0 HA CYS A 30 -9.752 3.724 1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.082 2.415 3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.431 2.112 2.120 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.285 4.232 4.485 1.00 0.00 H new ATOM 27 N SER A 31 -11.596 2.084 1.663 1.00 0.00 N ATOM 28 CA SER A 31 -12.689 1.117 1.916 1.00 0.00 C ATOM 29 C SER A 31 -12.119 -0.071 2.732 1.00 0.00 C ATOM 30 O SER A 31 -11.595 -1.049 2.207 1.00 0.00 O ATOM 31 CB SER A 31 -13.341 0.697 0.599 1.00 0.00 C ATOM 32 OG SER A 31 -14.244 -0.387 0.791 1.00 0.00 O ATOM 0 H SER A 31 -11.177 1.991 0.738 1.00 0.00 H new ATOM 0 HA SER A 31 -13.483 1.571 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.874 1.545 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.570 0.408 -0.115 1.00 0.00 H new ATOM 0 HG SER A 31 -14.549 -0.717 -0.080 1.00 0.00 H new ATOM 33 N ASN A 32 -11.847 0.398 3.941 1.00 0.00 N ATOM 34 CA ASN A 32 -11.228 -0.273 5.102 1.00 0.00 C ATOM 35 C ASN A 32 -11.945 0.297 6.339 1.00 0.00 C ATOM 36 O ASN A 32 -12.991 0.944 6.233 1.00 0.00 O ATOM 37 CB ASN A 32 -9.750 0.178 5.019 1.00 0.00 C ATOM 38 CG ASN A 32 -8.762 -0.222 6.122 1.00 0.00 C ATOM 39 OD1 ASN A 32 -7.932 0.553 6.570 1.00 0.00 O ATOM 40 ND2 ASN A 32 -8.766 -1.486 6.477 1.00 0.00 N ATOM 0 H ASN A 32 -12.076 1.365 4.170 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.296 -1.360 5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.350 -0.194 4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.746 1.266 4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.069 -1.833 7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.466 -2.121 6.094 1.00 0.00 H new ATOM 41 N GLY A 33 -11.384 0.059 7.525 1.00 0.00 N ATOM 42 CA GLY A 33 -11.516 1.006 8.645 1.00 0.00 C ATOM 43 C GLY A 33 -10.350 1.972 8.444 1.00 0.00 C ATOM 44 O GLY A 33 -9.273 1.760 9.008 1.00 0.00 O ATOM 0 H GLY A 33 -10.836 -0.774 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.474 1.525 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.454 0.498 9.608 1.00 0.00 H new ATOM 45 N GLY A 34 -10.543 2.849 7.456 1.00 0.00 N ATOM 46 CA GLY A 34 -9.478 3.596 6.763 1.00 0.00 C ATOM 47 C GLY A 34 -8.350 4.157 7.633 1.00 0.00 C ATOM 48 O GLY A 34 -8.542 5.019 8.488 1.00 0.00 O ATOM 0 H GLY A 34 -11.473 3.069 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.035 2.940 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.939 4.426 6.227 1.00 0.00 H new ATOM 49 N HIS A 35 -7.190 3.559 7.422 1.00 0.00 N ATOM 50 CA HIS A 35 -5.911 4.099 7.923 1.00 0.00 C ATOM 51 C HIS A 35 -5.194 4.796 6.747 1.00 0.00 C ATOM 52 O HIS A 35 -5.849 5.381 5.878 1.00 0.00 O ATOM 53 CB HIS A 35 -5.043 2.971 8.512 1.00 0.00 C ATOM 54 CG HIS A 35 -5.744 1.920 9.372 1.00 0.00 C ATOM 55 ND1 HIS A 35 -6.244 0.773 8.936 1.00 0.00 N ATOM 56 CD2 HIS A 35 -5.808 1.934 10.689 1.00 0.00 C ATOM 57 CE1 HIS A 35 -6.637 0.071 9.992 1.00 0.00 C ATOM 58 NE2 HIS A 35 -6.392 0.801 11.071 1.00 0.00 N ATOM 0 H HIS A 35 -7.095 2.687 6.901 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.090 4.818 8.722 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.552 2.457 7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.258 3.429 9.113 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.314 0.481 7.961 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.452 2.720 11.338 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.076 -0.915 9.975 1.00 0.00 H new ATOM 59 N PHE A 36 -3.905 4.528 6.606 1.00 0.00 N ATOM 60 CA PHE A 36 -3.040 4.980 5.509 1.00 0.00 C ATOM 61 C PHE A 36 -1.872 4.005 5.362 1.00 0.00 C ATOM 62 O PHE A 36 -1.498 3.320 6.303 1.00 0.00 O ATOM 63 CB PHE A 36 -2.482 6.361 5.818 1.00 0.00 C ATOM 64 CG PHE A 36 -3.285 7.460 5.138 1.00 0.00 C ATOM 65 CD1 PHE A 36 -4.349 8.086 5.819 1.00 0.00 C ATOM 66 CD2 PHE A 36 -2.751 8.024 3.961 1.00 0.00 C ATOM 67 CE1 PHE A 36 -4.868 9.305 5.345 1.00 0.00 C ATOM 68 CE2 PHE A 36 -3.257 9.256 3.499 1.00 0.00 C ATOM 69 CZ PHE A 36 -4.317 9.885 4.189 1.00 0.00 C ATOM 0 H PHE A 36 -3.400 3.960 7.286 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.624 5.021 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.486 6.522 6.896 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.443 6.415 5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.766 7.630 6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.964 7.519 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.681 9.790 5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.835 9.718 2.619 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.709 10.823 3.824 1.00 0.00 H new ATOM 70 N LEU A 37 -1.353 3.972 4.147 1.00 0.00 N ATOM 71 CA LEU A 37 -0.128 3.208 3.820 1.00 0.00 C ATOM 72 C LEU A 37 1.090 3.554 4.689 1.00 0.00 C ATOM 73 O LEU A 37 1.890 2.670 4.974 1.00 0.00 O ATOM 74 CB LEU A 37 0.201 3.333 2.324 1.00 0.00 C ATOM 75 CG LEU A 37 -0.772 2.513 1.484 1.00 0.00 C ATOM 76 CD1 LEU A 37 -0.645 2.886 0.001 1.00 0.00 C ATOM 77 CD2 LEU A 37 -0.555 1.006 1.673 1.00 0.00 C ATOM 0 H LEU A 37 -1.756 4.467 3.351 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.355 2.168 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.155 4.380 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.221 2.994 2.142 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.780 2.748 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.346 2.292 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.870 3.945 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.371 2.687 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.267 0.456 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.460 0.744 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.703 0.746 2.721 1.00 0.00 H new ATOM 78 N ARG A 38 1.151 4.804 5.145 1.00 0.00 N ATOM 79 CA ARG A 38 2.121 5.344 6.126 1.00 0.00 C ATOM 80 C ARG A 38 3.600 5.322 5.730 1.00 0.00 C ATOM 81 O ARG A 38 4.270 6.342 5.858 1.00 0.00 O ATOM 82 CB ARG A 38 1.842 4.751 7.515 1.00 0.00 C ATOM 83 CG ARG A 38 2.750 5.254 8.648 1.00 0.00 C ATOM 84 CD ARG A 38 2.548 6.683 9.147 1.00 0.00 C ATOM 85 NE ARG A 38 2.584 6.707 10.616 1.00 0.00 N ATOM 86 CZ ARG A 38 1.648 7.173 11.449 1.00 0.00 C ATOM 87 NH1 ARG A 38 0.520 7.693 10.995 1.00 0.00 N ATOM 88 NH2 ARG A 38 1.797 7.086 12.760 1.00 0.00 N ATOM 0 H ARG A 38 0.492 5.516 4.829 1.00 0.00 H new ATOM 0 HA ARG A 38 1.939 6.418 6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.807 4.966 7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.936 3.667 7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.627 4.583 9.498 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.783 5.160 8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.326 7.332 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.594 7.071 8.791 1.00 0.00 H new ATOM 0 HE ARG A 38 3.422 6.323 11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.350 7.745 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.180 8.042 11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.636 6.658 13.151 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.073 7.447 13.381 1.00 0.00 H new ATOM 89 N ILE A 39 4.138 4.154 5.408 1.00 0.00 N ATOM 90 CA ILE A 39 5.565 3.929 5.032 1.00 0.00 C ATOM 91 C ILE A 39 6.522 4.789 5.872 1.00 0.00 C ATOM 92 O ILE A 39 7.256 5.659 5.381 1.00 0.00 O ATOM 93 CB ILE A 39 5.785 4.164 3.516 1.00 0.00 C ATOM 94 CG1 ILE A 39 4.641 3.664 2.617 1.00 0.00 C ATOM 95 CG2 ILE A 39 7.058 3.469 3.048 1.00 0.00 C ATOM 96 CD1 ILE A 39 3.950 4.829 1.913 1.00 0.00 C ATOM 0 H ILE A 39 3.590 3.294 5.395 1.00 0.00 H new ATOM 0 HA ILE A 39 5.796 2.886 5.249 1.00 0.00 H new ATOM 0 HB ILE A 39 5.843 5.248 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.034 2.968 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.915 3.115 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.197 3.644 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.912 3.867 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.976 2.398 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.145 4.448 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.537 5.511 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.673 5.361 1.295 1.00 0.00 H new ATOM 97 N LEU A 40 6.521 4.469 7.161 1.00 0.00 N ATOM 98 CA LEU A 40 7.222 5.262 8.193 1.00 0.00 C ATOM 99 C LEU A 40 8.733 5.367 7.901 1.00 0.00 C ATOM 100 O LEU A 40 9.313 4.359 7.480 1.00 0.00 O ATOM 101 CB LEU A 40 7.039 4.646 9.578 1.00 0.00 C ATOM 102 CG LEU A 40 6.152 5.488 10.494 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.031 4.628 11.069 1.00 0.00 C ATOM 104 CD2 LEU A 40 6.958 6.073 11.655 1.00 0.00 C ATOM 0 H LEU A 40 6.036 3.652 7.532 1.00 0.00 H new ATOM 0 HA LEU A 40 6.781 6.259 8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.603 3.652 9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.016 4.518 10.045 1.00 0.00 H new ATOM 0 HG LEU A 40 5.738 6.302 9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.404 5.236 11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.427 4.226 10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.460 3.806 11.642 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.302 6.667 12.291 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.394 5.263 12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.754 6.706 11.263 1.00 0.00 H new ATOM 105 N PRO A 41 9.358 6.487 8.293 1.00 0.00 N ATOM 106 CA PRO A 41 10.814 6.740 8.212 1.00 0.00 C ATOM 107 C PRO A 41 11.670 5.584 8.755 1.00 0.00 C ATOM 108 O PRO A 41 12.642 5.173 8.124 1.00 0.00 O ATOM 109 CB PRO A 41 11.057 8.042 8.975 1.00 0.00 C ATOM 110 CG PRO A 41 9.803 8.210 9.821 1.00 0.00 C ATOM 111 CD PRO A 41 8.698 7.641 8.927 1.00 0.00 C ATOM 0 HA PRO A 41 11.122 6.822 7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.952 7.981 9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.196 8.883 8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.878 7.667 10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.622 9.256 10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.824 7.341 9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.358 8.369 8.190 1.00 0.00 H new ATOM 112 N ASP A 42 11.126 4.922 9.784 1.00 0.00 N ATOM 113 CA ASP A 42 11.685 3.721 10.432 1.00 0.00 C ATOM 114 C ASP A 42 11.515 2.409 9.627 1.00 0.00 C ATOM 115 O ASP A 42 11.520 1.318 10.196 1.00 0.00 O ATOM 116 CB ASP A 42 10.956 3.621 11.778 1.00 0.00 C ATOM 117 CG ASP A 42 11.363 4.731 12.753 1.00 0.00 C ATOM 118 OD1 ASP A 42 10.753 5.820 12.637 1.00 0.00 O ATOM 119 OD2 ASP A 42 12.290 4.493 13.555 1.00 0.00 O ATOM 0 H ASP A 42 10.247 5.218 10.208 1.00 0.00 H new ATOM 0 HA ASP A 42 12.766 3.831 10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.880 3.668 11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.166 2.651 12.229 1.00 0.00 H new ATOM 120 N GLY A 43 11.257 2.536 8.324 1.00 0.00 N ATOM 121 CA GLY A 43 11.034 1.430 7.370 1.00 0.00 C ATOM 122 C GLY A 43 9.784 0.599 7.706 1.00 0.00 C ATOM 123 O GLY A 43 9.595 -0.489 7.155 1.00 0.00 O ATOM 0 H GLY A 43 11.193 3.451 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.934 1.838 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.908 0.778 7.365 1.00 0.00 H new ATOM 124 N THR A 44 8.808 1.260 8.327 1.00 0.00 N ATOM 125 CA THR A 44 7.656 0.585 8.959 1.00 0.00 C ATOM 126 C THR A 44 6.373 0.935 8.210 1.00 0.00 C ATOM 127 O THR A 44 5.804 2.028 8.366 1.00 0.00 O ATOM 128 CB THR A 44 7.471 0.985 10.433 1.00 0.00 C ATOM 129 OG1 THR A 44 8.727 1.329 11.042 1.00 0.00 O ATOM 130 CG2 THR A 44 6.765 -0.121 11.214 1.00 0.00 C ATOM 0 H THR A 44 8.786 2.276 8.411 1.00 0.00 H new ATOM 0 HA THR A 44 7.861 -0.485 8.914 1.00 0.00 H new ATOM 0 HB THR A 44 6.838 1.872 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.579 1.580 11.978 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.646 0.186 12.253 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.784 -0.306 10.776 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.360 -1.033 11.171 1.00 0.00 H new ATOM 131 N VAL A 45 5.927 0.001 7.394 1.00 0.00 N ATOM 132 CA VAL A 45 4.687 0.225 6.626 1.00 0.00 C ATOM 133 C VAL A 45 3.516 -0.388 7.409 1.00 0.00 C ATOM 134 O VAL A 45 3.225 -1.578 7.347 1.00 0.00 O ATOM 135 CB VAL A 45 4.777 -0.319 5.197 1.00 0.00 C ATOM 136 CG1 VAL A 45 3.542 0.103 4.414 1.00 0.00 C ATOM 137 CG2 VAL A 45 6.004 0.240 4.465 1.00 0.00 C ATOM 0 H VAL A 45 6.378 -0.900 7.238 1.00 0.00 H new ATOM 0 HA VAL A 45 4.525 1.297 6.511 1.00 0.00 H new ATOM 0 HB VAL A 45 4.854 -1.404 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.606 -0.284 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.650 -0.295 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.484 1.191 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.040 -0.165 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.936 1.327 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.909 -0.044 5.002 1.00 0.00 H new ATOM 138 N ASP A 46 3.024 0.463 8.291 1.00 0.00 N ATOM 139 CA ASP A 46 1.873 0.140 9.146 1.00 0.00 C ATOM 140 C ASP A 46 0.817 1.241 9.198 1.00 0.00 C ATOM 141 O ASP A 46 1.099 2.386 9.537 1.00 0.00 O ATOM 142 CB ASP A 46 2.302 -0.283 10.561 1.00 0.00 C ATOM 143 CG ASP A 46 2.898 -1.699 10.527 1.00 0.00 C ATOM 144 OD1 ASP A 46 2.267 -2.543 9.846 1.00 0.00 O ATOM 145 OD2 ASP A 46 3.960 -1.893 11.144 1.00 0.00 O ATOM 0 H ASP A 46 3.403 1.398 8.442 1.00 0.00 H new ATOM 0 HA ASP A 46 1.397 -0.716 8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.037 0.421 10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.445 -0.256 11.233 1.00 0.00 H new ATOM 146 N GLY A 47 -0.385 0.823 8.824 1.00 0.00 N ATOM 147 CA GLY A 47 -1.625 1.595 9.003 1.00 0.00 C ATOM 148 C GLY A 47 -1.790 1.943 10.477 1.00 0.00 C ATOM 149 O GLY A 47 -1.208 1.322 11.363 1.00 0.00 O ATOM 0 H GLY A 47 -0.537 -0.081 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.591 2.505 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.481 1.017 8.656 1.00 0.00 H new ATOM 150 N THR A 48 -2.733 2.839 10.725 1.00 0.00 N ATOM 151 CA THR A 48 -2.620 3.724 11.893 1.00 0.00 C ATOM 152 C THR A 48 -3.934 4.424 12.264 1.00 0.00 C ATOM 153 O THR A 48 -4.556 5.137 11.475 1.00 0.00 O ATOM 154 CB THR A 48 -1.504 4.745 11.649 1.00 0.00 C ATOM 155 OG1 THR A 48 -1.392 5.621 12.772 1.00 0.00 O ATOM 156 CG2 THR A 48 -1.635 5.491 10.311 1.00 0.00 C ATOM 0 H THR A 48 -3.567 2.978 10.155 1.00 0.00 H new ATOM 0 HA THR A 48 -2.373 3.098 12.750 1.00 0.00 H new ATOM 0 HB THR A 48 -0.568 4.195 11.553 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.594 5.387 13.291 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.811 6.197 10.206 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.605 4.774 9.490 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.581 6.031 10.287 1.00 0.00 H new ATOM 157 N ARG A 49 -4.339 4.099 13.486 1.00 0.00 N ATOM 158 CA ARG A 49 -5.394 4.836 14.217 1.00 0.00 C ATOM 159 C ARG A 49 -5.024 6.303 14.522 1.00 0.00 C ATOM 160 O ARG A 49 -5.880 7.121 14.867 1.00 0.00 O ATOM 161 CB ARG A 49 -5.693 4.099 15.523 1.00 0.00 C ATOM 162 CG ARG A 49 -6.395 2.761 15.277 1.00 0.00 C ATOM 163 CD ARG A 49 -7.816 2.977 14.737 1.00 0.00 C ATOM 164 NE ARG A 49 -8.340 1.691 14.255 1.00 0.00 N ATOM 165 CZ ARG A 49 -8.747 1.427 13.016 1.00 0.00 C ATOM 166 NH1 ARG A 49 -8.769 2.371 12.077 1.00 0.00 N ATOM 167 NH2 ARG A 49 -9.121 0.201 12.680 1.00 0.00 N ATOM 0 H ARG A 49 -3.951 3.315 14.011 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.271 4.870 13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.762 3.926 16.063 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.319 4.726 16.158 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.818 2.169 14.567 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.438 2.192 16.206 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.460 3.378 15.520 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.805 3.707 13.928 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.397 0.931 14.933 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.470 3.320 12.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.085 2.145 11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.098 -0.547 13.373 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.432 0.005 11.728 1.00 0.00 H new ATOM 168 N ASP A 50 -3.723 6.587 14.442 1.00 0.00 N ATOM 169 CA ASP A 50 -3.109 7.891 14.725 1.00 0.00 C ATOM 170 C ASP A 50 -2.291 8.384 13.504 1.00 0.00 C ATOM 171 O ASP A 50 -1.060 8.345 13.496 1.00 0.00 O ATOM 172 CB ASP A 50 -2.250 7.708 15.982 1.00 0.00 C ATOM 173 CG ASP A 50 -1.201 6.582 15.893 1.00 0.00 C ATOM 174 OD1 ASP A 50 -1.613 5.415 16.099 1.00 0.00 O ATOM 175 OD2 ASP A 50 -0.041 6.907 15.590 1.00 0.00 O ATOM 0 H ASP A 50 -3.036 5.885 14.166 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.858 8.662 14.905 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.737 8.646 16.194 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.908 7.506 16.828 1.00 0.00 H new ATOM 176 N ARG A 51 -3.009 8.844 12.488 1.00 0.00 N ATOM 177 CA ARG A 51 -2.424 9.337 11.215 1.00 0.00 C ATOM 178 C ARG A 51 -1.626 10.634 11.342 1.00 0.00 C ATOM 179 O ARG A 51 -2.117 11.746 11.139 1.00 0.00 O ATOM 180 CB ARG A 51 -3.545 9.481 10.182 1.00 0.00 C ATOM 181 CG ARG A 51 -4.011 8.133 9.632 1.00 0.00 C ATOM 182 CD ARG A 51 -5.528 8.104 9.446 1.00 0.00 C ATOM 183 NE ARG A 51 -6.189 7.931 10.759 1.00 0.00 N ATOM 184 CZ ARG A 51 -7.064 8.751 11.328 1.00 0.00 C ATOM 185 NH1 ARG A 51 -7.608 9.784 10.700 1.00 0.00 N ATOM 186 NH2 ARG A 51 -7.548 8.456 12.529 1.00 0.00 N ATOM 0 H ARG A 51 -4.028 8.892 12.509 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.692 8.596 10.893 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.391 9.996 10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.198 10.105 9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.522 7.938 8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.711 7.336 10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.864 9.029 8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.807 7.289 8.778 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.946 7.091 11.283 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.359 9.980 9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.276 10.382 11.186 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.247 7.606 13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.221 9.080 12.975 1.00 0.00 H new ATOM 187 N SER A 52 -0.400 10.448 11.824 1.00 0.00 N ATOM 188 CA SER A 52 0.653 11.471 11.843 1.00 0.00 C ATOM 189 C SER A 52 0.994 11.875 10.415 1.00 0.00 C ATOM 190 O SER A 52 1.449 11.101 9.573 1.00 0.00 O ATOM 191 CB SER A 52 1.897 10.999 12.573 1.00 0.00 C ATOM 192 OG SER A 52 2.825 12.088 12.591 1.00 0.00 O ATOM 0 H SER A 52 -0.099 9.559 12.224 1.00 0.00 H new ATOM 0 HA SER A 52 0.273 12.334 12.389 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.651 10.688 13.588 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.331 10.134 12.071 1.00 0.00 H new ATOM 0 HG SER A 52 3.642 11.814 13.059 1.00 0.00 H new ATOM 193 N ASP A 53 0.382 13.031 10.214 1.00 0.00 N ATOM 194 CA ASP A 53 0.259 13.825 8.967 1.00 0.00 C ATOM 195 C ASP A 53 1.567 14.188 8.246 1.00 0.00 C ATOM 196 O ASP A 53 1.691 15.215 7.580 1.00 0.00 O ATOM 197 CB ASP A 53 -0.594 15.075 9.229 1.00 0.00 C ATOM 198 CG ASP A 53 -2.012 14.743 9.675 1.00 0.00 C ATOM 199 OD1 ASP A 53 -2.182 14.593 10.905 1.00 0.00 O ATOM 200 OD2 ASP A 53 -2.900 14.714 8.795 1.00 0.00 O ATOM 0 H ASP A 53 -0.094 13.497 10.987 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.233 13.155 8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.111 15.684 9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.636 15.677 8.321 1.00 0.00 H new ATOM 201 N GLN A 54 2.485 13.225 8.291 1.00 0.00 N ATOM 202 CA GLN A 54 3.800 13.303 7.659 1.00 0.00 C ATOM 203 C GLN A 54 4.049 12.017 6.849 1.00 0.00 C ATOM 204 O GLN A 54 3.680 11.967 5.678 1.00 0.00 O ATOM 205 CB GLN A 54 4.864 13.524 8.744 1.00 0.00 C ATOM 206 CG GLN A 54 6.208 13.894 8.119 1.00 0.00 C ATOM 207 CD GLN A 54 7.411 13.514 8.970 1.00 0.00 C ATOM 208 OE1 GLN A 54 7.353 13.255 10.171 1.00 0.00 O ATOM 209 NE2 GLN A 54 8.537 13.397 8.319 1.00 0.00 N ATOM 0 H GLN A 54 2.330 12.344 8.782 1.00 0.00 H new ATOM 0 HA GLN A 54 3.851 14.143 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.542 14.316 9.420 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.973 12.619 9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.293 13.405 7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.229 14.969 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.575 13.614 7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.378 13.089 8.806 1.00 0.00 H new ATOM 210 N HIS A 55 4.334 10.923 7.550 1.00 0.00 N ATOM 211 CA HIS A 55 4.771 9.652 6.945 1.00 0.00 C ATOM 212 C HIS A 55 3.684 9.074 6.020 1.00 0.00 C ATOM 213 O HIS A 55 3.963 8.790 4.854 1.00 0.00 O ATOM 214 CB HIS A 55 5.152 8.659 8.052 1.00 0.00 C ATOM 215 CG HIS A 55 5.505 9.283 9.413 1.00 0.00 C ATOM 216 ND1 HIS A 55 4.773 9.224 10.514 1.00 0.00 N ATOM 217 CD2 HIS A 55 6.530 10.093 9.654 1.00 0.00 C ATOM 218 CE1 HIS A 55 5.348 9.989 11.437 1.00 0.00 C ATOM 219 NE2 HIS A 55 6.434 10.533 10.899 1.00 0.00 N ATOM 0 H HIS A 55 4.270 10.886 8.567 1.00 0.00 H new ATOM 0 HA HIS A 55 5.649 9.838 6.327 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.323 7.966 8.195 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.004 8.071 7.710 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.310 10.349 8.953 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.995 10.141 12.446 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.078 11.174 11.362 1.00 0.00 H new ATOM 220 N ILE A 56 2.435 9.331 6.424 1.00 0.00 N ATOM 221 CA ILE A 56 1.196 8.872 5.750 1.00 0.00 C ATOM 222 C ILE A 56 0.999 9.325 4.297 1.00 0.00 C ATOM 223 O ILE A 56 0.322 8.643 3.533 1.00 0.00 O ATOM 224 CB ILE A 56 -0.071 9.239 6.543 1.00 0.00 C ATOM 225 CG1 ILE A 56 -0.197 10.741 6.825 1.00 0.00 C ATOM 226 CG2 ILE A 56 -0.204 8.383 7.814 1.00 0.00 C ATOM 227 CD1 ILE A 56 -1.644 11.183 7.029 1.00 0.00 C ATOM 0 H ILE A 56 2.243 9.884 7.259 1.00 0.00 H new ATOM 0 HA ILE A 56 1.345 7.793 5.721 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.919 9.000 5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.383 10.990 7.714 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.236 11.300 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.109 8.667 8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.261 7.330 7.539 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.663 8.545 8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.673 12.255 7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.222 10.963 6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.072 10.648 7.876 1.00 0.00 H new ATOM 228 N GLN A 57 1.686 10.398 3.915 1.00 0.00 N ATOM 229 CA GLN A 57 1.420 11.115 2.665 1.00 0.00 C ATOM 230 C GLN A 57 2.145 10.434 1.497 1.00 0.00 C ATOM 231 O GLN A 57 3.357 10.546 1.322 1.00 0.00 O ATOM 232 CB GLN A 57 1.797 12.598 2.807 1.00 0.00 C ATOM 233 CG GLN A 57 1.186 13.315 4.017 1.00 0.00 C ATOM 234 CD GLN A 57 -0.342 13.511 4.020 1.00 0.00 C ATOM 235 OE1 GLN A 57 -1.153 12.677 3.657 1.00 0.00 O ATOM 236 NE2 GLN A 57 -0.779 14.593 4.611 1.00 0.00 N ATOM 0 H GLN A 57 2.447 10.799 4.464 1.00 0.00 H new ATOM 0 HA GLN A 57 0.353 11.077 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.882 12.676 2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.491 13.122 1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.457 12.757 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.653 14.296 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.119 15.305 4.924 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.780 14.724 4.759 1.00 0.00 H new ATOM 237 N LEU A 58 1.398 9.493 0.945 1.00 0.00 N ATOM 238 CA LEU A 58 1.867 8.615 -0.142 1.00 0.00 C ATOM 239 C LEU A 58 1.734 9.276 -1.518 1.00 0.00 C ATOM 240 O LEU A 58 0.849 10.098 -1.750 1.00 0.00 O ATOM 241 CB LEU A 58 1.167 7.245 -0.049 1.00 0.00 C ATOM 242 CG LEU A 58 -0.328 7.290 -0.385 1.00 0.00 C ATOM 243 CD1 LEU A 58 -0.597 6.692 -1.779 1.00 0.00 C ATOM 244 CD2 LEU A 58 -1.111 6.521 0.681 1.00 0.00 C ATOM 0 H LEU A 58 0.438 9.306 1.234 1.00 0.00 H new ATOM 0 HA LEU A 58 2.936 8.443 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.661 6.548 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.291 6.852 0.960 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.654 8.330 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.665 6.736 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.052 7.263 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.265 5.654 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.175 6.552 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.774 5.485 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.943 6.978 1.656 1.00 0.00 H new ATOM 245 N GLN A 59 2.750 9.046 -2.325 1.00 0.00 N ATOM 246 CA GLN A 59 2.775 9.510 -3.711 1.00 0.00 C ATOM 247 C GLN A 59 3.377 8.481 -4.650 1.00 0.00 C ATOM 248 O GLN A 59 4.331 7.770 -4.319 1.00 0.00 O ATOM 249 CB GLN A 59 3.605 10.780 -3.774 1.00 0.00 C ATOM 250 CG GLN A 59 3.198 11.662 -4.969 1.00 0.00 C ATOM 251 CD GLN A 59 3.495 13.145 -4.708 1.00 0.00 C ATOM 252 OE1 GLN A 59 2.615 13.987 -4.687 1.00 0.00 O ATOM 253 NE2 GLN A 59 4.755 13.492 -4.577 1.00 0.00 N ATOM 0 H GLN A 59 3.586 8.532 -2.045 1.00 0.00 H new ATOM 0 HA GLN A 59 1.748 9.686 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.483 11.342 -2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.661 10.522 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.733 11.335 -5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.134 11.534 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.485 12.780 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.004 14.474 -4.456 1.00 0.00 H new ATOM 254 N LEU A 60 2.820 8.471 -5.849 1.00 0.00 N ATOM 255 CA LEU A 60 3.098 7.377 -6.771 1.00 0.00 C ATOM 256 C LEU A 60 3.617 7.706 -8.179 1.00 0.00 C ATOM 257 O LEU A 60 2.984 8.384 -8.977 1.00 0.00 O ATOM 258 CB LEU A 60 1.997 6.313 -6.739 1.00 0.00 C ATOM 259 CG LEU A 60 0.531 6.689 -7.006 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.235 5.588 -6.310 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.008 8.003 -6.435 1.00 0.00 C ATOM 0 H LEU A 60 2.187 9.188 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 60 4.008 6.947 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.269 5.549 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.033 5.844 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 60 0.429 6.812 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.305 5.754 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.036 4.626 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.011 5.589 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.056 8.118 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.080 7.991 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.568 8.837 -6.836 1.00 0.00 H new ATOM 262 N SER A 61 4.713 7.013 -8.471 1.00 0.00 N ATOM 263 CA SER A 61 5.543 7.215 -9.665 1.00 0.00 C ATOM 264 C SER A 61 5.345 6.027 -10.601 1.00 0.00 C ATOM 265 O SER A 61 5.835 4.915 -10.398 1.00 0.00 O ATOM 266 CB SER A 61 7.043 7.193 -9.349 1.00 0.00 C ATOM 267 OG SER A 61 7.365 7.886 -8.140 1.00 0.00 O ATOM 0 H SER A 61 5.064 6.270 -7.867 1.00 0.00 H new ATOM 0 HA SER A 61 5.250 8.177 -10.085 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.378 6.159 -9.270 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.591 7.643 -10.177 1.00 0.00 H new ATOM 0 HG SER A 61 8.331 7.840 -7.984 1.00 0.00 H new ATOM 268 N ALA A 62 4.332 6.216 -11.424 1.00 0.00 N ATOM 269 CA ALA A 62 4.027 5.273 -12.512 1.00 0.00 C ATOM 270 C ALA A 62 5.202 5.020 -13.455 1.00 0.00 C ATOM 271 O ALA A 62 5.902 5.923 -13.899 1.00 0.00 O ATOM 272 CB ALA A 62 2.804 5.775 -13.285 1.00 0.00 C ATOM 0 H ALA A 62 3.698 7.013 -11.369 1.00 0.00 H new ATOM 0 HA ALA A 62 3.813 4.308 -12.052 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.573 5.080 -14.092 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.950 5.844 -12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.016 6.759 -13.703 1.00 0.00 H new ATOM 273 N GLU A 63 5.439 3.729 -13.640 1.00 0.00 N ATOM 274 CA GLU A 63 6.418 3.233 -14.611 1.00 0.00 C ATOM 275 C GLU A 63 5.672 2.362 -15.621 1.00 0.00 C ATOM 276 O GLU A 63 5.626 1.132 -15.557 1.00 0.00 O ATOM 277 CB GLU A 63 7.568 2.512 -13.896 1.00 0.00 C ATOM 278 CG GLU A 63 8.715 2.323 -14.897 1.00 0.00 C ATOM 279 CD GLU A 63 9.859 1.492 -14.330 1.00 0.00 C ATOM 280 OE1 GLU A 63 9.643 0.272 -14.168 1.00 0.00 O ATOM 281 OE2 GLU A 63 10.913 2.094 -14.043 1.00 0.00 O ATOM 0 H GLU A 63 4.960 2.991 -13.123 1.00 0.00 H new ATOM 0 HA GLU A 63 6.892 4.050 -15.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.905 3.093 -13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.233 1.547 -13.516 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.331 1.840 -15.796 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.095 3.300 -15.197 1.00 0.00 H new ATOM 282 N SER A 64 4.869 3.119 -16.373 1.00 0.00 N ATOM 283 CA SER A 64 4.061 2.716 -17.541 1.00 0.00 C ATOM 284 C SER A 64 2.669 2.180 -17.169 1.00 0.00 C ATOM 285 O SER A 64 1.956 2.800 -16.385 1.00 0.00 O ATOM 286 CB SER A 64 4.895 1.875 -18.521 1.00 0.00 C ATOM 287 OG SER A 64 4.980 0.494 -18.154 1.00 0.00 O ATOM 0 H SER A 64 4.753 4.112 -16.169 1.00 0.00 H new ATOM 0 HA SER A 64 3.797 3.609 -18.108 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.459 1.953 -19.517 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.901 2.290 -18.580 1.00 0.00 H new ATOM 0 HG SER A 64 5.200 0.422 -17.202 1.00 0.00 H new ATOM 288 N VAL A 65 2.339 1.007 -17.687 1.00 0.00 N ATOM 289 CA VAL A 65 0.989 0.414 -17.717 1.00 0.00 C ATOM 290 C VAL A 65 0.480 -0.139 -16.367 1.00 0.00 C ATOM 291 O VAL A 65 0.779 -1.262 -15.952 1.00 0.00 O ATOM 292 CB VAL A 65 0.966 -0.587 -18.898 1.00 0.00 C ATOM 293 CG1 VAL A 65 1.942 -1.753 -18.696 1.00 0.00 C ATOM 294 CG2 VAL A 65 -0.449 -1.072 -19.200 1.00 0.00 C ATOM 0 H VAL A 65 3.035 0.402 -18.124 1.00 0.00 H new ATOM 0 HA VAL A 65 0.248 1.195 -17.887 1.00 0.00 H new ATOM 0 HB VAL A 65 1.314 -0.043 -19.776 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.887 -2.426 -19.552 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.957 -1.366 -18.603 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.677 -2.297 -17.789 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.423 -1.773 -20.035 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.858 -1.570 -18.321 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.078 -0.220 -19.460 1.00 0.00 H new ATOM 295 N GLY A 66 -0.211 0.754 -15.675 1.00 0.00 N ATOM 296 CA GLY A 66 -0.792 0.544 -14.330 1.00 0.00 C ATOM 297 C GLY A 66 0.229 0.499 -13.179 1.00 0.00 C ATOM 298 O GLY A 66 -0.057 0.834 -12.034 1.00 0.00 O ATOM 0 H GLY A 66 -0.398 1.689 -16.038 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.506 1.343 -14.131 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.352 -0.391 -14.335 1.00 0.00 H new ATOM 299 N GLU A 67 1.457 0.182 -13.557 1.00 0.00 N ATOM 300 CA GLU A 67 2.585 -0.090 -12.676 1.00 0.00 C ATOM 301 C GLU A 67 3.058 1.171 -11.954 1.00 0.00 C ATOM 302 O GLU A 67 3.513 2.122 -12.585 1.00 0.00 O ATOM 303 CB GLU A 67 3.716 -0.572 -13.574 1.00 0.00 C ATOM 304 CG GLU A 67 3.446 -1.914 -14.241 1.00 0.00 C ATOM 305 CD GLU A 67 4.398 -2.203 -15.412 1.00 0.00 C ATOM 306 OE1 GLU A 67 5.622 -1.991 -15.251 1.00 0.00 O ATOM 307 OE2 GLU A 67 3.875 -2.638 -16.457 1.00 0.00 O ATOM 0 H GLU A 67 1.709 0.103 -14.542 1.00 0.00 H new ATOM 0 HA GLU A 67 2.294 -0.819 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.898 0.176 -14.346 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.629 -0.648 -12.983 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.539 -2.708 -13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.418 -1.934 -14.602 1.00 0.00 H new ATOM 308 N VAL A 68 2.910 1.144 -10.637 1.00 0.00 N ATOM 309 CA VAL A 68 3.192 2.303 -9.779 1.00 0.00 C ATOM 310 C VAL A 68 4.086 2.050 -8.573 1.00 0.00 C ATOM 311 O VAL A 68 3.883 1.146 -7.771 1.00 0.00 O ATOM 312 CB VAL A 68 1.903 2.961 -9.328 1.00 0.00 C ATOM 313 CG1 VAL A 68 1.058 2.389 -8.178 1.00 0.00 C ATOM 314 CG2 VAL A 68 1.384 4.262 -9.929 1.00 0.00 C ATOM 0 H VAL A 68 2.591 0.321 -10.126 1.00 0.00 H new ATOM 0 HA VAL A 68 3.771 2.966 -10.422 1.00 0.00 H new ATOM 0 HB VAL A 68 2.422 2.342 -10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.180 3.017 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.741 1.377 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.653 2.367 -7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.446 4.537 -9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.118 5.053 -9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.217 4.128 -10.998 1.00 0.00 H new ATOM 315 N TYR A 69 4.957 3.027 -8.412 1.00 0.00 N ATOM 316 CA TYR A 69 5.957 3.079 -7.343 1.00 0.00 C ATOM 317 C TYR A 69 5.460 3.991 -6.224 1.00 0.00 C ATOM 318 O TYR A 69 5.346 5.204 -6.426 1.00 0.00 O ATOM 319 CB TYR A 69 7.250 3.696 -7.866 1.00 0.00 C ATOM 320 CG TYR A 69 8.242 2.723 -8.504 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.480 1.473 -7.880 1.00 0.00 C ATOM 322 CD2 TYR A 69 8.839 3.084 -9.729 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.314 0.545 -8.542 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.666 2.154 -10.374 1.00 0.00 C ATOM 325 CZ TYR A 69 9.881 0.887 -9.780 1.00 0.00 C ATOM 326 OH TYR A 69 10.440 -0.089 -10.528 1.00 0.00 O ATOM 0 H TYR A 69 4.996 3.834 -9.035 1.00 0.00 H new ATOM 0 HA TYR A 69 6.126 2.063 -6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.995 4.459 -8.601 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.748 4.203 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.036 1.236 -6.924 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.663 4.058 -10.162 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.514 -0.420 -8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.135 2.402 -11.315 1.00 0.00 H new ATOM 0 HH TYR A 69 10.791 0.296 -11.358 1.00 0.00 H new ATOM 327 N ILE A 70 5.168 3.399 -5.077 1.00 0.00 N ATOM 328 CA ILE A 70 4.601 4.208 -3.986 1.00 0.00 C ATOM 329 C ILE A 70 5.687 4.671 -3.009 1.00 0.00 C ATOM 330 O ILE A 70 6.245 3.903 -2.239 1.00 0.00 O ATOM 331 CB ILE A 70 3.387 3.547 -3.320 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.381 3.227 -4.428 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.769 4.458 -2.248 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.216 2.317 -4.052 1.00 0.00 C ATOM 0 H ILE A 70 5.302 2.409 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 70 4.195 5.117 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 70 3.687 2.635 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.973 4.167 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.921 2.765 -5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.912 3.959 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.512 4.670 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.445 5.392 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.576 2.167 -4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.600 1.355 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.638 2.778 -3.251 1.00 0.00 H new ATOM 335 N LYS A 71 5.937 5.958 -3.123 1.00 0.00 N ATOM 336 CA LYS A 71 6.870 6.739 -2.298 1.00 0.00 C ATOM 337 C LYS A 71 6.107 7.480 -1.229 1.00 0.00 C ATOM 338 O LYS A 71 4.984 7.921 -1.418 1.00 0.00 O ATOM 339 CB LYS A 71 7.577 7.677 -3.276 1.00 0.00 C ATOM 340 CG LYS A 71 8.908 8.185 -2.703 1.00 0.00 C ATOM 341 CD LYS A 71 9.560 9.224 -3.627 1.00 0.00 C ATOM 342 CE LYS A 71 9.039 10.647 -3.388 1.00 0.00 C ATOM 343 NZ LYS A 71 9.552 11.158 -2.106 1.00 0.00 N ATOM 0 H LYS A 71 5.475 6.531 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 71 7.598 6.123 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.759 7.155 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.930 8.524 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.737 8.626 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.588 7.345 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.640 9.208 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.377 8.945 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.353 11.300 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.949 10.648 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.295 12.161 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.137 10.613 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.587 11.062 -2.083 1.00 0.00 H new ATOM 344 N SER A 72 6.720 7.526 -0.060 1.00 0.00 N ATOM 345 CA SER A 72 6.212 8.359 1.025 1.00 0.00 C ATOM 346 C SER A 72 6.741 9.791 0.887 1.00 0.00 C ATOM 347 O SER A 72 7.728 10.158 1.496 1.00 0.00 O ATOM 348 CB SER A 72 6.570 7.701 2.349 1.00 0.00 C ATOM 349 OG SER A 72 7.916 7.239 2.459 1.00 0.00 O ATOM 0 H SER A 72 7.565 7.002 0.166 1.00 0.00 H new ATOM 0 HA SER A 72 5.126 8.440 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.382 8.414 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.900 6.856 2.509 1.00 0.00 H new ATOM 0 HG SER A 72 8.355 7.687 3.212 1.00 0.00 H new ATOM 350 N THR A 73 6.039 10.640 0.137 1.00 0.00 N ATOM 351 CA THR A 73 6.549 11.979 -0.252 1.00 0.00 C ATOM 352 C THR A 73 7.039 12.903 0.885 1.00 0.00 C ATOM 353 O THR A 73 7.790 13.843 0.616 1.00 0.00 O ATOM 354 CB THR A 73 5.584 12.731 -1.191 1.00 0.00 C ATOM 355 OG1 THR A 73 6.212 13.933 -1.640 1.00 0.00 O ATOM 356 CG2 THR A 73 4.219 13.020 -0.571 1.00 0.00 C ATOM 0 H THR A 73 5.107 10.433 -0.222 1.00 0.00 H new ATOM 0 HA THR A 73 7.459 11.722 -0.795 1.00 0.00 H new ATOM 0 HB THR A 73 5.377 12.075 -2.037 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.980 14.135 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.597 13.551 -1.292 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.737 12.081 -0.298 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.347 13.635 0.320 1.00 0.00 H new ATOM 357 N GLU A 74 6.524 12.702 2.094 1.00 0.00 N ATOM 358 CA GLU A 74 6.960 13.417 3.312 1.00 0.00 C ATOM 359 C GLU A 74 8.057 12.752 4.165 1.00 0.00 C ATOM 360 O GLU A 74 8.381 13.232 5.258 1.00 0.00 O ATOM 361 CB GLU A 74 5.721 13.689 4.171 1.00 0.00 C ATOM 362 CG GLU A 74 5.228 15.135 4.018 1.00 0.00 C ATOM 363 CD GLU A 74 4.799 15.482 2.586 1.00 0.00 C ATOM 364 OE1 GLU A 74 3.645 15.144 2.248 1.00 0.00 O ATOM 365 OE2 GLU A 74 5.614 16.093 1.860 1.00 0.00 O ATOM 0 H GLU A 74 5.779 12.028 2.269 1.00 0.00 H new ATOM 0 HA GLU A 74 7.443 14.326 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.924 13.001 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.954 13.493 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.387 15.298 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.020 15.816 4.328 1.00 0.00 H new ATOM 366 N THR A 75 8.529 11.595 3.713 1.00 0.00 N ATOM 367 CA THR A 75 9.573 10.802 4.391 1.00 0.00 C ATOM 368 C THR A 75 10.624 10.130 3.467 1.00 0.00 C ATOM 369 O THR A 75 11.775 9.974 3.856 1.00 0.00 O ATOM 370 CB THR A 75 8.966 9.743 5.304 1.00 0.00 C ATOM 371 OG1 THR A 75 7.735 9.244 4.777 1.00 0.00 O ATOM 372 CG2 THR A 75 8.769 10.343 6.700 1.00 0.00 C ATOM 0 H THR A 75 8.197 11.166 2.849 1.00 0.00 H new ATOM 0 HA THR A 75 10.116 11.550 4.968 1.00 0.00 H new ATOM 0 HB THR A 75 9.647 8.895 5.369 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.371 8.566 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.335 9.593 7.361 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.732 10.663 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.100 11.201 6.636 1.00 0.00 H new ATOM 373 N GLY A 76 10.118 9.526 2.393 1.00 0.00 N ATOM 374 CA GLY A 76 10.852 9.001 1.219 1.00 0.00 C ATOM 375 C GLY A 76 11.364 7.570 1.344 1.00 0.00 C ATOM 376 O GLY A 76 12.528 7.275 1.070 1.00 0.00 O ATOM 0 H GLY A 76 9.113 9.375 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.198 9.058 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.701 9.655 1.022 1.00 0.00 H new ATOM 377 N GLN A 77 10.429 6.680 1.662 1.00 0.00 N ATOM 378 CA GLN A 77 10.614 5.226 1.584 1.00 0.00 C ATOM 379 C GLN A 77 9.553 4.682 0.623 1.00 0.00 C ATOM 380 O GLN A 77 8.485 5.251 0.429 1.00 0.00 O ATOM 381 CB GLN A 77 10.480 4.507 2.930 1.00 0.00 C ATOM 382 CG GLN A 77 11.577 4.824 3.948 1.00 0.00 C ATOM 383 CD GLN A 77 11.337 6.187 4.603 1.00 0.00 C ATOM 384 OE1 GLN A 77 10.257 6.495 5.098 1.00 0.00 O ATOM 385 NE2 GLN A 77 12.346 7.019 4.624 1.00 0.00 N ATOM 0 H GLN A 77 9.501 6.950 1.988 1.00 0.00 H new ATOM 0 HA GLN A 77 11.632 5.040 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.515 4.764 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.472 3.432 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.604 4.048 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.549 4.819 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.238 6.750 4.209 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.241 7.937 5.056 1.00 0.00 H new ATOM 386 N TYR A 78 9.929 3.591 -0.037 1.00 0.00 N ATOM 387 CA TYR A 78 9.098 2.953 -1.053 1.00 0.00 C ATOM 388 C TYR A 78 8.305 1.788 -0.444 1.00 0.00 C ATOM 389 O TYR A 78 8.881 0.896 0.191 1.00 0.00 O ATOM 390 CB TYR A 78 9.991 2.445 -2.195 1.00 0.00 C ATOM 391 CG TYR A 78 10.590 3.578 -3.026 1.00 0.00 C ATOM 392 CD1 TYR A 78 11.757 4.180 -2.522 1.00 0.00 C ATOM 393 CD2 TYR A 78 9.933 4.060 -4.178 1.00 0.00 C ATOM 394 CE1 TYR A 78 12.267 5.327 -3.161 1.00 0.00 C ATOM 395 CE2 TYR A 78 10.446 5.200 -4.829 1.00 0.00 C ATOM 396 CZ TYR A 78 11.599 5.820 -4.297 1.00 0.00 C ATOM 397 OH TYR A 78 12.112 6.922 -4.903 1.00 0.00 O ATOM 0 H TYR A 78 10.822 3.123 0.118 1.00 0.00 H new ATOM 0 HA TYR A 78 8.389 3.683 -1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.797 1.840 -1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.407 1.793 -2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.255 3.768 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.051 3.563 -4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.153 5.818 -2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.968 5.591 -5.715 1.00 0.00 H new ATOM 0 HH TYR A 78 11.557 7.158 -5.676 1.00 0.00 H new ATOM 398 N LEU A 79 6.988 1.905 -0.558 1.00 0.00 N ATOM 399 CA LEU A 79 6.057 0.827 -0.220 1.00 0.00 C ATOM 400 C LEU A 79 6.398 -0.423 -1.034 1.00 0.00 C ATOM 401 O LEU A 79 6.216 -0.470 -2.257 1.00 0.00 O ATOM 402 CB LEU A 79 4.612 1.264 -0.515 1.00 0.00 C ATOM 403 CG LEU A 79 3.575 0.167 -0.252 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.452 -0.182 1.212 1.00 0.00 C ATOM 405 CD2 LEU A 79 2.220 0.667 -0.745 1.00 0.00 C ATOM 0 H LEU A 79 6.530 2.754 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 79 6.147 0.600 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.372 2.134 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.541 1.577 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 79 3.899 -0.732 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.703 -0.964 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.413 -0.537 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.150 0.703 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.464 -0.098 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.950 1.576 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.277 0.881 -1.812 1.00 0.00 H new ATOM 406 N ALA A 80 7.086 -1.324 -0.358 1.00 0.00 N ATOM 407 CA ALA A 80 7.552 -2.591 -0.933 1.00 0.00 C ATOM 408 C ALA A 80 6.893 -3.764 -0.211 1.00 0.00 C ATOM 409 O ALA A 80 6.482 -3.636 0.939 1.00 0.00 O ATOM 410 CB ALA A 80 9.062 -2.670 -0.764 1.00 0.00 C ATOM 0 H ALA A 80 7.345 -1.203 0.621 1.00 0.00 H new ATOM 0 HA ALA A 80 7.289 -2.638 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.427 -3.606 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.530 -1.832 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.312 -2.628 0.296 1.00 0.00 H new ATOM 411 N MET A 81 6.932 -4.916 -0.858 1.00 0.00 N ATOM 412 CA MET A 81 6.412 -6.173 -0.270 1.00 0.00 C ATOM 413 C MET A 81 7.389 -7.321 -0.464 1.00 0.00 C ATOM 414 O MET A 81 8.150 -7.386 -1.434 1.00 0.00 O ATOM 415 CB MET A 81 5.009 -6.482 -0.812 1.00 0.00 C ATOM 416 CG MET A 81 4.386 -7.670 -0.072 1.00 0.00 C ATOM 417 SD MET A 81 2.593 -7.573 0.302 1.00 0.00 S ATOM 418 CE MET A 81 1.880 -7.056 -1.253 1.00 0.00 C ATOM 0 H MET A 81 7.317 -5.024 -1.796 1.00 0.00 H new ATOM 0 HA MET A 81 6.314 -6.040 0.807 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.371 -5.605 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.067 -6.702 -1.878 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.560 -8.567 -0.666 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.921 -7.801 0.868 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.848 -6.743 -1.094 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.454 -6.222 -1.657 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.902 -7.887 -1.958 1.00 0.00 H new ATOM 419 N ASP A 82 7.456 -8.094 0.609 1.00 0.00 N ATOM 420 CA ASP A 82 8.229 -9.341 0.678 1.00 0.00 C ATOM 421 C ASP A 82 7.339 -10.581 0.710 1.00 0.00 C ATOM 422 O ASP A 82 6.206 -10.537 1.192 1.00 0.00 O ATOM 423 CB ASP A 82 9.163 -9.298 1.883 1.00 0.00 C ATOM 424 CG ASP A 82 8.494 -8.943 3.215 1.00 0.00 C ATOM 425 OD1 ASP A 82 7.638 -9.763 3.647 1.00 0.00 O ATOM 426 OD2 ASP A 82 8.888 -7.910 3.800 1.00 0.00 O ATOM 0 H ASP A 82 6.968 -7.875 1.477 1.00 0.00 H new ATOM 0 HA ASP A 82 8.822 -9.419 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.644 -10.271 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.951 -8.572 1.686 1.00 0.00 H new ATOM 427 N THR A 83 7.992 -11.703 0.451 1.00 0.00 N ATOM 428 CA THR A 83 7.365 -13.034 0.278 1.00 0.00 C ATOM 429 C THR A 83 6.610 -13.608 1.494 1.00 0.00 C ATOM 430 O THR A 83 5.922 -14.613 1.361 1.00 0.00 O ATOM 431 CB THR A 83 8.393 -14.074 -0.175 1.00 0.00 C ATOM 432 OG1 THR A 83 9.616 -13.849 0.530 1.00 0.00 O ATOM 433 CG2 THR A 83 8.591 -14.053 -1.698 1.00 0.00 C ATOM 0 H THR A 83 9.007 -11.729 0.349 1.00 0.00 H new ATOM 0 HA THR A 83 6.609 -12.843 -0.483 1.00 0.00 H new ATOM 0 HB THR A 83 8.026 -15.072 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.282 -14.511 0.249 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.328 -14.805 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.644 -14.271 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.942 -13.068 -2.006 1.00 0.00 H new ATOM 434 N ASP A 84 6.796 -12.991 2.659 1.00 0.00 N ATOM 435 CA ASP A 84 6.053 -13.295 3.897 1.00 0.00 C ATOM 436 C ASP A 84 4.666 -12.626 3.988 1.00 0.00 C ATOM 437 O ASP A 84 4.008 -12.741 5.023 1.00 0.00 O ATOM 438 CB ASP A 84 6.986 -12.890 5.039 1.00 0.00 C ATOM 439 CG ASP A 84 6.544 -13.470 6.380 1.00 0.00 C ATOM 440 OD1 ASP A 84 6.665 -14.711 6.525 1.00 0.00 O ATOM 441 OD2 ASP A 84 6.198 -12.661 7.256 1.00 0.00 O ATOM 0 H ASP A 84 7.483 -12.246 2.779 1.00 0.00 H new ATOM 0 HA ASP A 84 5.802 -14.355 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.998 -13.227 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.020 -11.803 5.109 1.00 0.00 H new ATOM 442 N GLY A 85 4.329 -11.821 2.984 1.00 0.00 N ATOM 443 CA GLY A 85 3.062 -11.062 2.933 1.00 0.00 C ATOM 444 C GLY A 85 3.210 -9.618 3.399 1.00 0.00 C ATOM 445 O GLY A 85 2.367 -8.758 3.157 1.00 0.00 O ATOM 0 H GLY A 85 4.926 -11.669 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.681 -11.071 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.320 -11.564 3.554 1.00 0.00 H new ATOM 446 N LEU A 86 4.415 -9.297 3.842 1.00 0.00 N ATOM 447 CA LEU A 86 4.638 -8.071 4.625 1.00 0.00 C ATOM 448 C LEU A 86 5.224 -6.936 3.789 1.00 0.00 C ATOM 449 O LEU A 86 6.136 -7.107 2.981 1.00 0.00 O ATOM 450 CB LEU A 86 5.496 -8.346 5.857 1.00 0.00 C ATOM 451 CG LEU A 86 5.047 -9.588 6.637 1.00 0.00 C ATOM 452 CD1 LEU A 86 5.697 -9.441 8.009 1.00 0.00 C ATOM 453 CD2 LEU A 86 3.544 -9.774 6.884 1.00 0.00 C ATOM 0 H LEU A 86 5.253 -9.856 3.680 1.00 0.00 H new ATOM 0 HA LEU A 86 3.656 -7.738 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.534 -8.473 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.463 -7.479 6.516 1.00 0.00 H new ATOM 0 HG LEU A 86 5.333 -10.448 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.426 -10.292 8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.781 -9.404 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.350 -8.521 8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.379 -10.693 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.161 -8.927 7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.023 -9.834 5.928 1.00 0.00 H new ATOM 454 N LEU A 87 4.765 -5.759 4.192 1.00 0.00 N ATOM 455 CA LEU A 87 5.125 -4.481 3.551 1.00 0.00 C ATOM 456 C LEU A 87 6.251 -3.792 4.320 1.00 0.00 C ATOM 457 O LEU A 87 6.166 -3.568 5.527 1.00 0.00 O ATOM 458 CB LEU A 87 3.920 -3.517 3.415 1.00 0.00 C ATOM 459 CG LEU A 87 2.762 -4.022 2.573 1.00 0.00 C ATOM 460 CD1 LEU A 87 1.560 -3.097 2.812 1.00 0.00 C ATOM 461 CD2 LEU A 87 3.133 -4.085 1.098 1.00 0.00 C ATOM 0 H LEU A 87 4.126 -5.653 4.980 1.00 0.00 H new ATOM 0 HA LEU A 87 5.463 -4.726 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.547 -3.289 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.275 -2.580 2.986 1.00 0.00 H new ATOM 0 HG LEU A 87 2.507 -5.040 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.713 -3.439 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.292 -3.114 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.820 -2.079 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.282 -4.451 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.406 -3.089 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.978 -4.760 0.964 1.00 0.00 H new ATOM 462 N TYR A 88 7.282 -3.462 3.569 1.00 0.00 N ATOM 463 CA TYR A 88 8.497 -2.810 4.093 1.00 0.00 C ATOM 464 C TYR A 88 8.868 -1.529 3.338 1.00 0.00 C ATOM 465 O TYR A 88 8.744 -1.455 2.123 1.00 0.00 O ATOM 466 CB TYR A 88 9.681 -3.791 4.175 1.00 0.00 C ATOM 467 CG TYR A 88 10.228 -4.360 2.860 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.424 -5.152 2.008 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.605 -4.170 2.603 1.00 0.00 C ATOM 470 CE1 TYR A 88 10.013 -5.756 0.879 1.00 0.00 C ATOM 471 CE2 TYR A 88 12.195 -4.781 1.487 1.00 0.00 C ATOM 472 CZ TYR A 88 11.387 -5.559 0.635 1.00 0.00 C ATOM 473 OH TYR A 88 11.966 -6.182 -0.413 1.00 0.00 O ATOM 0 H TYR A 88 7.314 -3.635 2.564 1.00 0.00 H new ATOM 0 HA TYR A 88 8.257 -2.499 5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.500 -3.286 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 88 9.379 -4.629 4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.374 -5.292 2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.200 -3.557 3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.420 -6.362 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.249 -4.657 1.285 1.00 0.00 H new ATOM 0 HH TYR A 88 11.376 -6.894 -0.737 1.00 0.00 H new ATOM 474 N GLY A 89 9.303 -0.547 4.125 1.00 0.00 N ATOM 475 CA GLY A 89 9.686 0.794 3.645 1.00 0.00 C ATOM 476 C GLY A 89 11.081 0.797 3.007 1.00 0.00 C ATOM 477 O GLY A 89 11.991 1.474 3.480 1.00 0.00 O ATOM 0 H GLY A 89 9.404 -0.656 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.953 1.142 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.666 1.497 4.478 1.00 0.00 H new ATOM 478 N SER A 90 11.209 -0.022 1.966 1.00 0.00 N ATOM 479 CA SER A 90 12.445 -0.182 1.177 1.00 0.00 C ATOM 480 C SER A 90 12.916 1.131 0.521 1.00 0.00 C ATOM 481 O SER A 90 12.112 1.960 0.108 1.00 0.00 O ATOM 482 CB SER A 90 12.231 -1.286 0.134 1.00 0.00 C ATOM 483 OG SER A 90 13.346 -1.327 -0.766 1.00 0.00 O ATOM 0 H SER A 90 10.444 -0.609 1.634 1.00 0.00 H new ATOM 0 HA SER A 90 13.246 -0.469 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.117 -2.250 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.311 -1.102 -0.421 1.00 0.00 H new ATOM 0 HG SER A 90 13.071 -0.986 -1.643 1.00 0.00 H new ATOM 484 N GLN A 91 14.217 1.364 0.584 1.00 0.00 N ATOM 485 CA GLN A 91 14.896 2.468 -0.121 1.00 0.00 C ATOM 486 C GLN A 91 14.887 2.318 -1.647 1.00 0.00 C ATOM 487 O GLN A 91 14.894 3.290 -2.396 1.00 0.00 O ATOM 488 CB GLN A 91 16.360 2.534 0.337 1.00 0.00 C ATOM 489 CG GLN A 91 16.567 3.169 1.711 1.00 0.00 C ATOM 490 CD GLN A 91 15.982 2.311 2.835 1.00 0.00 C ATOM 491 OE1 GLN A 91 16.375 1.176 3.067 1.00 0.00 O ATOM 492 NE2 GLN A 91 14.931 2.782 3.463 1.00 0.00 N ATOM 0 H GLN A 91 14.853 0.787 1.134 1.00 0.00 H new ATOM 0 HA GLN A 91 14.345 3.375 0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.768 1.523 0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.933 3.098 -0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 91 17.633 3.316 1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 91 16.102 4.155 1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.603 3.728 3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.442 2.202 4.145 1.00 0.00 H new ATOM 493 N THR A 92 15.013 1.058 -2.058 1.00 0.00 N ATOM 494 CA THR A 92 15.068 0.600 -3.452 1.00 0.00 C ATOM 495 C THR A 92 13.675 0.348 -4.038 1.00 0.00 C ATOM 496 O THR A 92 12.902 -0.431 -3.475 1.00 0.00 O ATOM 497 CB THR A 92 15.832 -0.728 -3.572 1.00 0.00 C ATOM 498 OG1 THR A 92 15.674 -1.481 -2.370 1.00 0.00 O ATOM 499 CG2 THR A 92 17.297 -0.498 -3.926 1.00 0.00 C ATOM 0 H THR A 92 15.084 0.285 -1.396 1.00 0.00 H new ATOM 0 HA THR A 92 15.569 1.400 -3.997 1.00 0.00 H new ATOM 0 HB THR A 92 15.411 -1.309 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.751 -1.398 -2.051 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.808 -1.458 -4.003 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.363 0.026 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.769 0.103 -3.149 1.00 0.00 H new ATOM 500 N PRO A 93 13.414 0.946 -5.215 1.00 0.00 N ATOM 501 CA PRO A 93 12.244 0.596 -6.004 1.00 0.00 C ATOM 502 C PRO A 93 12.507 -0.527 -7.005 1.00 0.00 C ATOM 503 O PRO A 93 13.319 -0.458 -7.918 1.00 0.00 O ATOM 504 CB PRO A 93 11.814 1.870 -6.699 1.00 0.00 C ATOM 505 CG PRO A 93 13.130 2.629 -6.914 1.00 0.00 C ATOM 506 CD PRO A 93 13.995 2.197 -5.720 1.00 0.00 C ATOM 0 HA PRO A 93 11.460 0.203 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.313 1.661 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.116 2.443 -6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.595 2.364 -7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.973 3.708 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 93 15.031 2.048 -6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.998 2.964 -4.945 1.00 0.00 H new ATOM 507 N ASN A 94 11.908 -1.650 -6.640 1.00 0.00 N ATOM 508 CA ASN A 94 11.944 -2.904 -7.414 1.00 0.00 C ATOM 509 C ASN A 94 10.514 -3.342 -7.779 1.00 0.00 C ATOM 510 O ASN A 94 9.553 -2.672 -7.407 1.00 0.00 O ATOM 511 CB ASN A 94 12.739 -3.882 -6.521 1.00 0.00 C ATOM 512 CG ASN A 94 12.757 -5.331 -7.024 1.00 0.00 C ATOM 513 OD1 ASN A 94 11.881 -6.130 -6.739 1.00 0.00 O ATOM 514 ND2 ASN A 94 13.671 -5.623 -7.923 1.00 0.00 N ATOM 0 H ASN A 94 11.368 -1.728 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 94 12.435 -2.829 -8.384 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.766 -3.526 -6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.315 -3.864 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.654 -6.528 -8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.397 -4.944 -8.151 1.00 0.00 H new ATOM 515 N GLU A 95 10.353 -4.467 -8.468 1.00 0.00 N ATOM 516 CA GLU A 95 9.046 -5.144 -8.681 1.00 0.00 C ATOM 517 C GLU A 95 8.228 -5.279 -7.380 1.00 0.00 C ATOM 518 O GLU A 95 7.007 -5.457 -7.385 1.00 0.00 O ATOM 519 CB GLU A 95 9.266 -6.596 -9.113 1.00 0.00 C ATOM 520 CG GLU A 95 10.077 -6.797 -10.401 1.00 0.00 C ATOM 521 CD GLU A 95 10.137 -8.273 -10.804 1.00 0.00 C ATOM 522 OE1 GLU A 95 11.078 -8.949 -10.331 1.00 0.00 O ATOM 523 OE2 GLU A 95 9.283 -8.667 -11.627 1.00 0.00 O ATOM 0 H GLU A 95 11.132 -4.956 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 95 8.529 -4.534 -9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.770 -7.123 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.292 -7.068 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.629 -6.217 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.088 -6.417 -10.258 1.00 0.00 H new ATOM 524 N GLU A 96 8.982 -5.459 -6.299 1.00 0.00 N ATOM 525 CA GLU A 96 8.488 -5.498 -4.917 1.00 0.00 C ATOM 526 C GLU A 96 7.725 -4.242 -4.495 1.00 0.00 C ATOM 527 O GLU A 96 6.762 -4.319 -3.740 1.00 0.00 O ATOM 528 CB GLU A 96 9.703 -5.737 -4.023 1.00 0.00 C ATOM 529 CG GLU A 96 10.183 -7.169 -4.235 1.00 0.00 C ATOM 530 CD GLU A 96 11.269 -7.585 -3.246 1.00 0.00 C ATOM 531 OE1 GLU A 96 10.894 -7.945 -2.106 1.00 0.00 O ATOM 532 OE2 GLU A 96 12.450 -7.556 -3.657 1.00 0.00 O ATOM 0 H GLU A 96 9.992 -5.587 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 96 7.755 -6.299 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.497 -5.031 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.442 -5.576 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.335 -7.848 -4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.565 -7.272 -5.251 1.00 0.00 H new ATOM 533 N CYS A 97 8.146 -3.115 -5.065 1.00 0.00 N ATOM 534 CA CYS A 97 7.543 -1.799 -4.847 1.00 0.00 C ATOM 535 C CYS A 97 6.650 -1.332 -6.010 1.00 0.00 C ATOM 536 O CYS A 97 5.984 -0.300 -5.912 1.00 0.00 O ATOM 537 CB CYS A 97 8.674 -0.796 -4.632 1.00 0.00 C ATOM 538 SG CYS A 97 8.069 0.915 -4.331 1.00 0.00 S ATOM 0 H CYS A 97 8.937 -3.090 -5.709 1.00 0.00 H new ATOM 0 HA CYS A 97 6.891 -1.869 -3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.280 -1.116 -3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.324 -0.797 -5.507 1.00 0.00 H new ATOM 0 HG CYS A 97 6.868 1.041 -4.812 1.00 0.00 H new ATOM 539 N LEU A 98 6.776 -1.972 -7.165 1.00 0.00 N ATOM 540 CA LEU A 98 5.957 -1.613 -8.333 1.00 0.00 C ATOM 541 C LEU A 98 4.593 -2.286 -8.324 1.00 0.00 C ATOM 542 O LEU A 98 4.448 -3.469 -8.000 1.00 0.00 O ATOM 543 CB LEU A 98 6.736 -1.842 -9.631 1.00 0.00 C ATOM 544 CG LEU A 98 6.213 -0.897 -10.724 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.272 0.557 -10.303 1.00 0.00 C ATOM 546 CD2 LEU A 98 7.109 -0.973 -11.949 1.00 0.00 C ATOM 0 H LEU A 98 7.430 -2.738 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 98 5.742 -0.546 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.799 -1.667 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.630 -2.878 -9.952 1.00 0.00 H new ATOM 0 HG LEU A 98 5.187 -1.209 -10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.892 1.185 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.662 0.703 -9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.304 0.831 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.731 -0.300 -12.719 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.123 -0.680 -11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.117 -1.994 -12.331 1.00 0.00 H new ATOM 547 N PHE A 99 3.586 -1.428 -8.493 1.00 0.00 N ATOM 548 CA PHE A 99 2.206 -1.832 -8.254 1.00 0.00 C ATOM 549 C PHE A 99 1.142 -1.559 -9.316 1.00 0.00 C ATOM 550 O PHE A 99 0.795 -0.408 -9.602 1.00 0.00 O ATOM 551 CB PHE A 99 1.682 -1.208 -6.954 1.00 0.00 C ATOM 552 CG PHE A 99 2.454 -1.645 -5.715 1.00 0.00 C ATOM 553 CD1 PHE A 99 2.318 -2.966 -5.256 1.00 0.00 C ATOM 554 CD2 PHE A 99 3.176 -0.696 -4.960 1.00 0.00 C ATOM 555 CE1 PHE A 99 2.910 -3.352 -4.041 1.00 0.00 C ATOM 556 CE2 PHE A 99 3.760 -1.077 -3.741 1.00 0.00 C ATOM 557 CZ PHE A 99 3.613 -2.402 -3.275 1.00 0.00 C ATOM 0 H PHE A 99 3.701 -0.459 -8.791 1.00 0.00 H new ATOM 0 HA PHE A 99 2.321 -2.916 -8.239 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.729 -0.122 -7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.632 -1.473 -6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.759 -3.685 -5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.279 0.318 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.826 -4.372 -3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.320 -0.358 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.042 -2.688 -2.326 1.00 0.00 H new ATOM 558 N LEU A 100 0.538 -2.641 -9.788 1.00 0.00 N ATOM 559 CA LEU A 100 -0.571 -2.552 -10.756 1.00 0.00 C ATOM 560 C LEU A 100 -1.831 -1.889 -10.193 1.00 0.00 C ATOM 561 O LEU A 100 -2.391 -2.329 -9.197 1.00 0.00 O ATOM 562 CB LEU A 100 -0.952 -3.927 -11.301 1.00 0.00 C ATOM 563 CG LEU A 100 -0.560 -4.096 -12.764 1.00 0.00 C ATOM 564 CD1 LEU A 100 0.955 -4.162 -12.922 1.00 0.00 C ATOM 565 CD2 LEU A 100 -1.167 -5.385 -13.315 1.00 0.00 C ATOM 0 H LEU A 100 0.789 -3.593 -9.523 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.187 -1.919 -11.556 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.466 -4.699 -10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.027 -4.072 -11.196 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.937 -3.234 -13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.206 -4.283 -13.976 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.400 -3.241 -12.546 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.343 -5.010 -12.357 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.884 -5.502 -14.361 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.797 -6.235 -12.742 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.253 -5.339 -13.236 1.00 0.00 H new ATOM 566 N GLU A 101 -2.097 -0.740 -10.812 1.00 0.00 N ATOM 567 CA GLU A 101 -3.281 0.085 -10.547 1.00 0.00 C ATOM 568 C GLU A 101 -4.618 -0.574 -10.925 1.00 0.00 C ATOM 569 O GLU A 101 -5.144 -0.466 -12.040 1.00 0.00 O ATOM 570 CB GLU A 101 -3.132 1.432 -11.222 1.00 0.00 C ATOM 571 CG GLU A 101 -2.232 2.360 -10.401 1.00 0.00 C ATOM 572 CD GLU A 101 -2.884 3.718 -10.129 1.00 0.00 C ATOM 573 OE1 GLU A 101 -3.527 4.262 -11.055 1.00 0.00 O ATOM 574 OE2 GLU A 101 -2.642 4.228 -9.007 1.00 0.00 O ATOM 0 H GLU A 101 -1.485 -0.346 -11.527 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.326 0.210 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.711 1.299 -12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.113 1.890 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.990 1.880 -9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.292 2.512 -10.931 1.00 0.00 H new ATOM 575 N ARG A 102 -5.121 -1.274 -9.923 1.00 0.00 N ATOM 576 CA ARG A 102 -6.381 -2.014 -9.983 1.00 0.00 C ATOM 577 C ARG A 102 -7.492 -1.111 -9.412 1.00 0.00 C ATOM 578 O ARG A 102 -7.713 -1.000 -8.204 1.00 0.00 O ATOM 579 CB ARG A 102 -6.250 -3.258 -9.119 1.00 0.00 C ATOM 580 CG ARG A 102 -5.045 -4.173 -9.362 1.00 0.00 C ATOM 581 CD ARG A 102 -5.245 -5.032 -10.615 1.00 0.00 C ATOM 582 NE ARG A 102 -6.271 -6.049 -10.343 1.00 0.00 N ATOM 583 CZ ARG A 102 -6.213 -7.335 -10.684 1.00 0.00 C ATOM 584 NH1 ARG A 102 -5.131 -7.862 -11.233 1.00 0.00 N ATOM 585 NH2 ARG A 102 -7.223 -8.140 -10.389 1.00 0.00 N ATOM 0 H ARG A 102 -4.656 -1.349 -9.018 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.618 -2.300 -11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.225 -2.941 -8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.154 -3.853 -9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.144 -3.570 -9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.894 -4.818 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.549 -4.407 -11.455 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.307 -5.510 -10.897 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.107 -5.740 -9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.312 -7.280 -11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.116 -8.851 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.041 -7.774 -9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.182 -9.126 -10.649 1.00 0.00 H new ATOM 586 N LEU A 103 -8.263 -0.587 -10.353 1.00 0.00 N ATOM 587 CA LEU A 103 -9.184 0.523 -10.099 1.00 0.00 C ATOM 588 C LEU A 103 -10.642 0.073 -9.945 1.00 0.00 C ATOM 589 O LEU A 103 -11.196 -0.645 -10.773 1.00 0.00 O ATOM 590 CB LEU A 103 -9.035 1.530 -11.250 1.00 0.00 C ATOM 591 CG LEU A 103 -9.715 2.885 -11.032 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.131 3.656 -9.855 1.00 0.00 C ATOM 593 CD2 LEU A 103 -9.630 3.722 -12.306 1.00 0.00 C ATOM 0 H LEU A 103 -8.271 -0.917 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.923 0.982 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.973 1.700 -11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.440 1.081 -12.157 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.759 2.684 -10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.652 4.608 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.251 3.073 -8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.071 3.840 -10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.116 4.684 -12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.584 3.883 -12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.129 3.197 -13.120 1.00 0.00 H new ATOM 594 N GLU A 104 -11.290 0.795 -9.035 1.00 0.00 N ATOM 595 CA GLU A 104 -12.729 0.673 -8.699 1.00 0.00 C ATOM 596 C GLU A 104 -13.641 1.553 -9.570 1.00 0.00 C ATOM 597 O GLU A 104 -14.804 1.758 -9.239 1.00 0.00 O ATOM 598 CB GLU A 104 -12.935 1.065 -7.235 1.00 0.00 C ATOM 599 CG GLU A 104 -12.349 0.038 -6.253 1.00 0.00 C ATOM 600 CD GLU A 104 -12.944 -1.356 -6.466 1.00 0.00 C ATOM 601 OE1 GLU A 104 -13.994 -1.635 -5.847 1.00 0.00 O ATOM 602 OE2 GLU A 104 -12.316 -2.123 -7.234 1.00 0.00 O ATOM 0 H GLU A 104 -10.820 1.513 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.006 -0.365 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.474 2.036 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -14.002 1.178 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.267 -0.006 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.541 0.363 -5.230 1.00 0.00 H new ATOM 603 N GLU A 105 -13.127 1.943 -10.741 1.00 0.00 N ATOM 604 CA GLU A 105 -13.633 3.034 -11.595 1.00 0.00 C ATOM 605 C GLU A 105 -13.649 4.409 -10.921 1.00 0.00 C ATOM 606 O GLU A 105 -13.227 5.408 -11.495 1.00 0.00 O ATOM 607 CB GLU A 105 -15.009 2.660 -12.186 1.00 0.00 C ATOM 608 CG GLU A 105 -15.381 3.502 -13.416 1.00 0.00 C ATOM 609 CD GLU A 105 -14.488 3.145 -14.606 1.00 0.00 C ATOM 610 OE1 GLU A 105 -14.680 2.032 -15.137 1.00 0.00 O ATOM 611 OE2 GLU A 105 -13.641 3.993 -14.957 1.00 0.00 O ATOM 0 H GLU A 105 -12.307 1.488 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.917 3.142 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.006 1.605 -12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.774 2.787 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.426 3.333 -13.676 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.278 4.562 -13.182 1.00 0.00 H new ATOM 612 N ASN A 106 -14.166 4.420 -9.703 1.00 0.00 N ATOM 613 CA ASN A 106 -13.910 5.471 -8.719 1.00 0.00 C ATOM 614 C ASN A 106 -12.428 5.338 -8.307 1.00 0.00 C ATOM 615 O ASN A 106 -11.880 4.246 -8.297 1.00 0.00 O ATOM 616 CB ASN A 106 -14.822 5.192 -7.530 1.00 0.00 C ATOM 617 CG ASN A 106 -15.246 6.477 -6.806 1.00 0.00 C ATOM 618 OD1 ASN A 106 -14.463 7.383 -6.563 1.00 0.00 O ATOM 619 ND2 ASN A 106 -16.490 6.530 -6.390 1.00 0.00 N ATOM 0 H ASN A 106 -14.787 3.687 -9.360 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.099 6.475 -9.099 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.710 4.661 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.309 4.535 -6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.815 7.336 -5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.131 5.765 -6.601 1.00 0.00 H new ATOM 620 N HIS A 107 -11.936 6.423 -7.733 1.00 0.00 N ATOM 621 CA HIS A 107 -10.503 6.694 -7.484 1.00 0.00 C ATOM 622 C HIS A 107 -9.773 5.730 -6.533 1.00 0.00 C ATOM 623 O HIS A 107 -8.543 5.760 -6.438 1.00 0.00 O ATOM 624 CB HIS A 107 -10.368 8.133 -6.986 1.00 0.00 C ATOM 625 CG HIS A 107 -11.153 9.100 -7.871 1.00 0.00 C ATOM 626 ND1 HIS A 107 -12.434 9.409 -7.709 1.00 0.00 N ATOM 627 CD2 HIS A 107 -10.781 9.511 -9.081 1.00 0.00 C ATOM 628 CE1 HIS A 107 -12.875 9.983 -8.821 1.00 0.00 C ATOM 629 NE2 HIS A 107 -11.852 10.044 -9.668 1.00 0.00 N ATOM 0 H HIS A 107 -12.538 7.180 -7.409 1.00 0.00 H new ATOM 0 HA HIS A 107 -10.003 6.532 -8.439 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -10.729 8.201 -5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -9.316 8.419 -6.974 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -12.987 9.234 -6.870 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.793 9.428 -9.509 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -13.879 10.335 -9.004 1.00 0.00 H new ATOM 630 N TYR A 108 -10.534 4.873 -5.851 1.00 0.00 N ATOM 631 CA TYR A 108 -9.987 3.791 -5.023 1.00 0.00 C ATOM 632 C TYR A 108 -9.260 2.803 -5.927 1.00 0.00 C ATOM 633 O TYR A 108 -9.806 2.254 -6.884 1.00 0.00 O ATOM 634 CB TYR A 108 -11.050 2.985 -4.281 1.00 0.00 C ATOM 635 CG TYR A 108 -12.051 3.856 -3.542 1.00 0.00 C ATOM 636 CD1 TYR A 108 -13.165 4.341 -4.269 1.00 0.00 C ATOM 637 CD2 TYR A 108 -11.867 4.149 -2.178 1.00 0.00 C ATOM 638 CE1 TYR A 108 -14.118 5.132 -3.622 1.00 0.00 C ATOM 639 CE2 TYR A 108 -12.826 4.937 -1.515 1.00 0.00 C ATOM 640 CZ TYR A 108 -13.936 5.416 -2.255 1.00 0.00 C ATOM 641 OH TYR A 108 -14.936 6.037 -1.587 1.00 0.00 O ATOM 0 H TYR A 108 -11.553 4.908 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.340 4.271 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.582 2.355 -4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.562 2.319 -3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.277 4.101 -5.316 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.003 3.775 -1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -14.974 5.516 -4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.719 5.171 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 108 -14.673 6.168 -0.652 1.00 0.00 H new ATOM 642 N ASN A 109 -7.990 2.716 -5.602 1.00 0.00 N ATOM 643 CA ASN A 109 -7.022 1.840 -6.249 1.00 0.00 C ATOM 644 C ASN A 109 -6.581 0.740 -5.283 1.00 0.00 C ATOM 645 O ASN A 109 -6.523 0.899 -4.061 1.00 0.00 O ATOM 646 CB ASN A 109 -5.814 2.699 -6.579 1.00 0.00 C ATOM 647 CG ASN A 109 -5.775 3.182 -8.037 1.00 0.00 C ATOM 648 OD1 ASN A 109 -5.314 2.494 -8.939 1.00 0.00 O ATOM 649 ND2 ASN A 109 -6.187 4.400 -8.277 1.00 0.00 N ATOM 0 H ASN A 109 -7.581 3.272 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.455 1.378 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.805 3.566 -5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.908 2.130 -6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.125 4.783 -9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.570 4.967 -7.521 1.00 0.00 H new ATOM 650 N THR A 110 -6.515 -0.439 -5.868 1.00 0.00 N ATOM 651 CA THR A 110 -5.892 -1.624 -5.262 1.00 0.00 C ATOM 652 C THR A 110 -4.644 -1.954 -6.088 1.00 0.00 C ATOM 653 O THR A 110 -4.489 -1.505 -7.226 1.00 0.00 O ATOM 654 CB THR A 110 -6.902 -2.789 -5.153 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.215 -3.388 -6.402 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.205 -2.361 -4.484 1.00 0.00 C ATOM 0 H THR A 110 -6.897 -0.616 -6.797 1.00 0.00 H new ATOM 0 HA THR A 110 -5.585 -1.434 -4.234 1.00 0.00 H new ATOM 0 HB THR A 110 -6.394 -3.529 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.763 -4.255 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.883 -3.213 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.995 -1.999 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.669 -1.565 -5.066 1.00 0.00 H new ATOM 657 N TYR A 111 -3.681 -2.642 -5.471 1.00 0.00 N ATOM 658 CA TYR A 111 -2.296 -2.634 -5.974 1.00 0.00 C ATOM 659 C TYR A 111 -1.584 -3.988 -5.961 1.00 0.00 C ATOM 660 O TYR A 111 -0.943 -4.343 -4.973 1.00 0.00 O ATOM 661 CB TYR A 111 -1.483 -1.604 -5.173 1.00 0.00 C ATOM 662 CG TYR A 111 -1.940 -0.160 -5.405 1.00 0.00 C ATOM 663 CD1 TYR A 111 -1.893 0.366 -6.712 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.313 0.626 -4.294 1.00 0.00 C ATOM 665 CE1 TYR A 111 -2.190 1.727 -6.901 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.609 1.988 -4.483 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.534 2.517 -5.784 1.00 0.00 C ATOM 668 OH TYR A 111 -2.694 3.849 -5.987 1.00 0.00 O ATOM 0 H TYR A 111 -3.826 -3.206 -4.634 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.362 -2.367 -7.029 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.561 -1.836 -4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.431 -1.693 -5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -1.634 -0.263 -7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.371 0.186 -3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.155 2.162 -7.889 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.888 2.614 -3.648 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.669 4.039 -6.948 1.00 0.00 H new ATOM 669 N ILE A 112 -1.614 -4.674 -7.107 1.00 0.00 N ATOM 670 CA ILE A 112 -0.866 -5.940 -7.256 1.00 0.00 C ATOM 671 C ILE A 112 0.640 -5.613 -7.183 1.00 0.00 C ATOM 672 O ILE A 112 1.182 -4.919 -8.040 1.00 0.00 O ATOM 673 CB ILE A 112 -1.111 -6.725 -8.560 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.579 -7.100 -8.762 1.00 0.00 C ATOM 675 CG2 ILE A 112 -0.218 -7.981 -8.702 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.184 -8.067 -7.743 1.00 0.00 C ATOM 0 H ILE A 112 -2.136 -4.387 -7.935 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.224 -6.584 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.826 -6.030 -9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.169 -6.184 -8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.685 -7.539 -9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.444 -8.484 -9.642 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.831 -7.685 -8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.411 -8.660 -7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.228 -8.254 -7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.632 -9.007 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.124 -7.630 -6.746 1.00 0.00 H new ATOM 677 N SER A 113 1.243 -6.193 -6.165 1.00 0.00 N ATOM 678 CA SER A 113 2.711 -6.298 -6.060 1.00 0.00 C ATOM 679 C SER A 113 3.239 -7.160 -7.198 1.00 0.00 C ATOM 680 O SER A 113 2.903 -8.339 -7.319 1.00 0.00 O ATOM 681 CB SER A 113 3.216 -6.783 -4.699 1.00 0.00 C ATOM 682 OG SER A 113 2.576 -7.982 -4.279 1.00 0.00 O ATOM 0 H SER A 113 0.742 -6.609 -5.380 1.00 0.00 H new ATOM 0 HA SER A 113 3.107 -5.286 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.292 -6.948 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.049 -6.005 -3.954 1.00 0.00 H new ATOM 0 HG SER A 113 1.618 -7.817 -4.159 1.00 0.00 H new ATOM 683 N LYS A 114 3.849 -6.457 -8.133 1.00 0.00 N ATOM 684 CA LYS A 114 4.458 -7.039 -9.351 1.00 0.00 C ATOM 685 C LYS A 114 5.189 -8.360 -9.120 1.00 0.00 C ATOM 686 O LYS A 114 4.873 -9.363 -9.759 1.00 0.00 O ATOM 687 CB LYS A 114 5.399 -6.029 -9.986 1.00 0.00 C ATOM 688 CG LYS A 114 4.586 -4.988 -10.754 1.00 0.00 C ATOM 689 CD LYS A 114 4.213 -5.528 -12.123 1.00 0.00 C ATOM 690 CE LYS A 114 5.232 -5.008 -13.127 1.00 0.00 C ATOM 691 NZ LYS A 114 4.957 -5.600 -14.435 1.00 0.00 N ATOM 0 H LYS A 114 3.946 -5.443 -8.082 1.00 0.00 H new ATOM 0 HA LYS A 114 3.630 -7.271 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.000 -5.542 -9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.091 -6.534 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.685 -4.734 -10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.164 -4.070 -10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.208 -6.618 -12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.208 -5.207 -12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.180 -3.921 -13.187 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.242 -5.261 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.649 -5.249 -15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.027 -6.636 -14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.998 -5.337 -14.741 1.00 0.00 H new ATOM 692 N LYS A 115 6.037 -8.391 -8.096 1.00 0.00 N ATOM 693 CA LYS A 115 6.753 -9.626 -7.735 1.00 0.00 C ATOM 694 C LYS A 115 5.808 -10.761 -7.280 1.00 0.00 C ATOM 695 O LYS A 115 5.949 -11.895 -7.730 1.00 0.00 O ATOM 696 CB LYS A 115 7.895 -9.338 -6.747 1.00 0.00 C ATOM 697 CG LYS A 115 7.578 -9.527 -5.255 1.00 0.00 C ATOM 698 CD LYS A 115 8.488 -10.577 -4.615 1.00 0.00 C ATOM 699 CE LYS A 115 8.124 -11.997 -5.017 1.00 0.00 C ATOM 700 NZ LYS A 115 9.335 -12.738 -5.378 1.00 0.00 N ATOM 0 H LYS A 115 6.249 -7.589 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 115 7.219 -10.009 -8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.736 -9.983 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.225 -8.310 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.695 -8.577 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.537 -9.828 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.521 -10.377 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.433 -10.486 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.612 -12.497 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.433 -11.980 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.080 -13.708 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.806 -12.266 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.980 -12.767 -4.563 1.00 0.00 H new ATOM 701 N HIS A 116 4.751 -10.419 -6.535 1.00 0.00 N ATOM 702 CA HIS A 116 3.741 -11.389 -6.069 1.00 0.00 C ATOM 703 C HIS A 116 2.568 -11.500 -7.045 1.00 0.00 C ATOM 704 O HIS A 116 1.457 -11.881 -6.674 1.00 0.00 O ATOM 705 CB HIS A 116 3.255 -10.970 -4.683 1.00 0.00 C ATOM 706 CG HIS A 116 4.376 -10.842 -3.657 1.00 0.00 C ATOM 707 ND1 HIS A 116 4.691 -9.703 -3.051 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.181 -11.791 -3.204 1.00 0.00 C ATOM 709 CE1 HIS A 116 5.708 -9.951 -2.228 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.001 -11.235 -2.329 1.00 0.00 N ATOM 0 H HIS A 116 4.567 -9.462 -6.235 1.00 0.00 H new ATOM 0 HA HIS A 116 4.201 -12.376 -6.016 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.735 -10.015 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.528 -11.700 -4.326 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.236 -8.801 -3.191 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.170 -12.831 -3.496 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.204 -9.232 -1.593 1.00 0.00 H new ATOM 711 N ALA A 117 2.896 -11.365 -8.340 1.00 0.00 N ATOM 712 CA ALA A 117 1.940 -11.574 -9.445 1.00 0.00 C ATOM 713 C ALA A 117 1.333 -12.985 -9.397 1.00 0.00 C ATOM 714 O ALA A 117 0.116 -13.139 -9.398 1.00 0.00 O ATOM 715 CB ALA A 117 2.639 -11.334 -10.784 1.00 0.00 C ATOM 0 H ALA A 117 3.832 -11.108 -8.653 1.00 0.00 H new ATOM 0 HA ALA A 117 1.123 -10.861 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.930 -11.489 -11.597 1.00 0.00 H new ATOM 0 HB2 ALA A 117 3.015 -10.311 -10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.471 -12.030 -10.890 1.00 0.00 H new ATOM 716 N GLU A 118 2.178 -13.935 -8.992 1.00 0.00 N ATOM 717 CA GLU A 118 1.791 -15.342 -8.790 1.00 0.00 C ATOM 718 C GLU A 118 0.982 -15.656 -7.522 1.00 0.00 C ATOM 719 O GLU A 118 0.523 -16.780 -7.335 1.00 0.00 O ATOM 720 CB GLU A 118 2.976 -16.310 -8.961 1.00 0.00 C ATOM 721 CG GLU A 118 4.242 -15.916 -8.204 1.00 0.00 C ATOM 722 CD GLU A 118 5.198 -15.061 -9.049 1.00 0.00 C ATOM 723 OE1 GLU A 118 4.932 -13.854 -9.148 1.00 0.00 O ATOM 724 OE2 GLU A 118 6.115 -15.668 -9.647 1.00 0.00 O ATOM 0 H GLU A 118 3.161 -13.752 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 118 1.081 -15.513 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.667 -17.302 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.214 -16.387 -10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 118 3.966 -15.364 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.760 -16.818 -7.878 1.00 0.00 H new ATOM 725 N LYS A 119 0.808 -14.644 -6.678 1.00 0.00 N ATOM 726 CA LYS A 119 -0.006 -14.718 -5.442 1.00 0.00 C ATOM 727 C LYS A 119 -1.189 -13.735 -5.417 1.00 0.00 C ATOM 728 O LYS A 119 -2.048 -13.854 -4.547 1.00 0.00 O ATOM 729 CB LYS A 119 0.938 -14.459 -4.259 1.00 0.00 C ATOM 730 CG LYS A 119 1.715 -15.723 -3.892 1.00 0.00 C ATOM 731 CD LYS A 119 3.157 -15.416 -3.479 1.00 0.00 C ATOM 732 CE LYS A 119 3.993 -15.068 -4.700 1.00 0.00 C ATOM 733 NZ LYS A 119 5.399 -14.936 -4.318 1.00 0.00 N ATOM 0 H LYS A 119 1.231 -13.728 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.461 -15.707 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.635 -13.660 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.363 -14.118 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.206 -16.236 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.720 -16.404 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.171 -14.587 -2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.588 -16.278 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.884 -15.843 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.638 -14.137 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.818 -14.123 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.467 -14.790 -3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.912 -15.802 -4.579 1.00 0.00 H new ATOM 734 N ASN A 120 -1.248 -12.821 -6.399 1.00 0.00 N ATOM 735 CA ASN A 120 -2.241 -11.737 -6.512 1.00 0.00 C ATOM 736 C ASN A 120 -2.317 -10.819 -5.288 1.00 0.00 C ATOM 737 O ASN A 120 -3.352 -10.238 -4.969 1.00 0.00 O ATOM 738 CB ASN A 120 -3.635 -12.289 -6.823 1.00 0.00 C ATOM 739 CG ASN A 120 -3.714 -12.913 -8.228 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.945 -12.255 -9.224 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.564 -14.213 -8.299 1.00 0.00 N ATOM 0 H ASN A 120 -0.578 -12.816 -7.168 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.888 -11.125 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.901 -13.040 -6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.368 -11.486 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -3.641 -14.687 -9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.371 -14.751 -7.454 1.00 0.00 H new ATOM 742 N TRP A 121 -1.159 -10.590 -4.676 1.00 0.00 N ATOM 743 CA TRP A 121 -1.095 -9.777 -3.450 1.00 0.00 C ATOM 744 C TRP A 121 -1.175 -8.279 -3.705 1.00 0.00 C ATOM 745 O TRP A 121 -0.246 -7.651 -4.230 1.00 0.00 O ATOM 746 CB TRP A 121 0.113 -10.064 -2.565 1.00 0.00 C ATOM 747 CG TRP A 121 0.147 -11.470 -1.984 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.840 -12.368 -1.930 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.236 -11.995 -1.315 1.00 0.00 C ATOM 750 NE1 TRP A 121 -0.398 -13.456 -1.299 1.00 0.00 N ATOM 751 CE2 TRP A 121 0.851 -13.262 -0.876 1.00 0.00 C ATOM 752 CE3 TRP A 121 2.516 -11.480 -1.023 1.00 0.00 C ATOM 753 CZ2 TRP A 121 1.726 -14.051 -0.087 1.00 0.00 C ATOM 754 CZ3 TRP A 121 3.412 -12.268 -0.295 1.00 0.00 C ATOM 755 CH2 TRP A 121 2.998 -13.531 0.209 1.00 0.00 C ATOM 0 H TRP A 121 -0.259 -10.947 -4.998 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.989 -10.090 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.021 -9.902 -3.146 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.127 -9.345 -1.746 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.834 -12.235 -2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.936 -14.311 -1.160 1.00 0.00 H new ATOM 0 HE3 TRP A 121 2.799 -10.493 -1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 1.424 -15.022 0.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.418 -11.918 -0.116 1.00 0.00 H new ATOM 0 HH2 TRP A 121 3.673 -14.101 0.830 1.00 0.00 H new ATOM 756 N PHE A 122 -2.289 -7.757 -3.219 1.00 0.00 N ATOM 757 CA PHE A 122 -2.553 -6.312 -3.222 1.00 0.00 C ATOM 758 C PHE A 122 -2.111 -5.738 -1.877 1.00 0.00 C ATOM 759 O PHE A 122 -2.248 -6.408 -0.862 1.00 0.00 O ATOM 760 CB PHE A 122 -4.049 -6.030 -3.389 1.00 0.00 C ATOM 761 CG PHE A 122 -4.717 -6.645 -4.614 1.00 0.00 C ATOM 762 CD1 PHE A 122 -5.233 -7.959 -4.536 1.00 0.00 C ATOM 763 CD2 PHE A 122 -5.050 -5.808 -5.699 1.00 0.00 C ATOM 764 CE1 PHE A 122 -6.104 -8.430 -5.545 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.940 -6.264 -6.688 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.451 -7.576 -6.602 1.00 0.00 C ATOM 0 H PHE A 122 -3.039 -8.314 -2.810 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.009 -5.858 -4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.567 -6.389 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -4.192 -4.950 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.963 -8.600 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.622 -4.819 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.497 -9.435 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.229 -5.617 -7.503 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.125 -7.931 -7.368 1.00 0.00 H new ATOM 767 N VAL A 123 -1.530 -4.534 -1.895 1.00 0.00 N ATOM 768 CA VAL A 123 -1.246 -3.832 -0.619 1.00 0.00 C ATOM 769 C VAL A 123 -2.575 -3.588 0.134 1.00 0.00 C ATOM 770 O VAL A 123 -3.589 -3.276 -0.492 1.00 0.00 O ATOM 771 CB VAL A 123 -0.444 -2.536 -0.695 1.00 0.00 C ATOM 772 CG1 VAL A 123 0.934 -2.850 -1.258 1.00 0.00 C ATOM 773 CG2 VAL A 123 -1.072 -1.393 -1.478 1.00 0.00 C ATOM 0 H VAL A 123 -1.253 -4.033 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.581 -4.509 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 123 -0.404 -2.163 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.520 -1.933 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.440 -3.562 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.831 -3.281 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.407 -0.530 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.232 -1.704 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.028 -1.125 -1.027 1.00 0.00 H new ATOM 774 N GLY A 124 -2.546 -3.797 1.437 1.00 0.00 N ATOM 775 CA GLY A 124 -3.758 -3.734 2.260 1.00 0.00 C ATOM 776 C GLY A 124 -3.490 -3.264 3.673 1.00 0.00 C ATOM 777 O GLY A 124 -2.348 -3.248 4.156 1.00 0.00 O ATOM 0 H GLY A 124 -1.696 -4.013 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.475 -3.062 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.220 -4.721 2.293 1.00 0.00 H new ATOM 778 N LEU A 125 -4.516 -2.580 4.128 1.00 0.00 N ATOM 779 CA LEU A 125 -4.541 -1.968 5.455 1.00 0.00 C ATOM 780 C LEU A 125 -5.161 -2.909 6.466 1.00 0.00 C ATOM 781 O LEU A 125 -6.378 -2.993 6.649 1.00 0.00 O ATOM 782 CB LEU A 125 -5.226 -0.604 5.329 1.00 0.00 C ATOM 783 CG LEU A 125 -4.158 0.475 5.100 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.097 0.177 4.045 1.00 0.00 C ATOM 785 CD2 LEU A 125 -4.898 1.769 4.751 1.00 0.00 C ATOM 0 H LEU A 125 -5.368 -2.427 3.589 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.537 -1.789 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.934 -0.614 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.795 -0.384 6.232 1.00 0.00 H new ATOM 0 HG LEU A 125 -3.580 0.538 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.404 1.015 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.551 -0.725 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.577 0.027 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.175 2.567 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -5.492 1.617 3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.555 2.046 5.575 1.00 0.00 H new ATOM 786 N LYS A 126 -4.246 -3.747 6.945 1.00 0.00 N ATOM 787 CA LYS A 126 -4.534 -4.818 7.897 1.00 0.00 C ATOM 788 C LYS A 126 -5.447 -4.287 9.022 1.00 0.00 C ATOM 789 O LYS A 126 -5.081 -3.378 9.773 1.00 0.00 O ATOM 790 CB LYS A 126 -3.248 -5.321 8.539 1.00 0.00 C ATOM 791 CG LYS A 126 -3.390 -6.734 9.095 1.00 0.00 C ATOM 792 CD LYS A 126 -2.943 -6.825 10.550 1.00 0.00 C ATOM 793 CE LYS A 126 -3.733 -5.884 11.480 1.00 0.00 C ATOM 794 NZ LYS A 126 -3.315 -6.161 12.854 1.00 0.00 N ATOM 0 H LYS A 126 -3.263 -3.700 6.677 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.022 -5.628 7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.446 -5.303 7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.958 -4.645 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.430 -7.052 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.799 -7.422 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.059 -7.852 10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.882 -6.585 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.539 -4.842 11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -4.805 -6.046 11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.119 -5.265 13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.073 -6.670 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.455 -6.746 12.844 1.00 0.00 H new ATOM 795 N LYS A 127 -6.659 -4.841 9.031 1.00 0.00 N ATOM 796 CA LYS A 127 -7.786 -4.268 9.775 1.00 0.00 C ATOM 797 C LYS A 127 -7.738 -4.490 11.296 1.00 0.00 C ATOM 798 O LYS A 127 -8.262 -5.460 11.829 1.00 0.00 O ATOM 799 CB LYS A 127 -9.106 -4.728 9.113 1.00 0.00 C ATOM 800 CG LYS A 127 -10.352 -4.111 9.761 1.00 0.00 C ATOM 801 CD LYS A 127 -10.356 -2.581 9.738 1.00 0.00 C ATOM 802 CE LYS A 127 -11.515 -2.035 10.578 1.00 0.00 C ATOM 803 NZ LYS A 127 -11.236 -2.266 12.000 1.00 0.00 N ATOM 0 H LYS A 127 -6.889 -5.696 8.526 1.00 0.00 H new ATOM 0 HA LYS A 127 -7.716 -3.183 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.086 -4.465 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.175 -5.814 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -11.240 -4.477 9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.421 -4.451 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.409 -2.203 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.445 -2.227 8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.645 -0.969 10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -12.447 -2.525 10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.817 -1.624 12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.464 -3.251 12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.229 -2.087 12.190 1.00 0.00 H new ATOM 804 N ASN A 128 -6.846 -3.697 11.858 1.00 0.00 N ATOM 805 CA ASN A 128 -6.716 -3.387 13.297 1.00 0.00 C ATOM 806 C ASN A 128 -6.075 -1.991 13.446 1.00 0.00 C ATOM 807 O ASN A 128 -6.691 -1.063 13.967 1.00 0.00 O ATOM 808 CB ASN A 128 -5.816 -4.402 13.982 1.00 0.00 C ATOM 809 CG ASN A 128 -6.531 -5.435 14.870 1.00 0.00 C ATOM 810 OD1 ASN A 128 -6.283 -5.553 16.058 1.00 0.00 O ATOM 811 ND2 ASN A 128 -7.450 -6.208 14.331 1.00 0.00 N ATOM 0 H ASN A 128 -6.142 -3.214 11.300 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.704 -3.416 13.755 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.253 -4.936 13.217 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.092 -3.864 14.593 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -7.942 -6.892 14.906 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -7.670 -6.123 13.339 1.00 0.00 H new ATOM 812 N GLY A 129 -4.827 -1.922 12.999 1.00 0.00 N ATOM 813 CA GLY A 129 -4.012 -0.695 12.955 1.00 0.00 C ATOM 814 C GLY A 129 -2.603 -0.997 12.419 1.00 0.00 C ATOM 815 O GLY A 129 -1.623 -0.934 13.164 1.00 0.00 O ATOM 0 H GLY A 129 -4.331 -2.739 12.644 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.497 0.047 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -3.942 -0.263 13.953 1.00 0.00 H new ATOM 816 N SER A 130 -2.593 -1.674 11.270 1.00 0.00 N ATOM 817 CA SER A 130 -1.363 -2.017 10.529 1.00 0.00 C ATOM 818 C SER A 130 -1.602 -2.135 9.025 1.00 0.00 C ATOM 819 O SER A 130 -2.702 -1.862 8.554 1.00 0.00 O ATOM 820 CB SER A 130 -0.763 -3.325 11.072 1.00 0.00 C ATOM 821 OG SER A 130 -0.150 -3.087 12.336 1.00 0.00 O ATOM 0 H SER A 130 -3.444 -2.006 10.817 1.00 0.00 H new ATOM 0 HA SER A 130 -0.658 -1.200 10.681 1.00 0.00 H new ATOM 0 HB2 SER A 130 -1.543 -4.080 11.172 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.028 -3.718 10.369 1.00 0.00 H new ATOM 0 HG SER A 130 -0.570 -2.311 12.762 1.00 0.00 H new ATOM 822 N CYS A 131 -0.515 -2.299 8.266 1.00 0.00 N ATOM 823 CA CYS A 131 -0.639 -2.591 6.820 1.00 0.00 C ATOM 824 C CYS A 131 -0.380 -4.065 6.499 1.00 0.00 C ATOM 825 O CYS A 131 -1.307 -4.800 6.193 1.00 0.00 O ATOM 826 CB CYS A 131 0.262 -1.736 5.936 1.00 0.00 C ATOM 827 SG CYS A 131 -0.149 0.046 5.903 1.00 0.00 S ATOM 0 H CYS A 131 0.443 -2.238 8.610 1.00 0.00 H new ATOM 0 HA CYS A 131 -1.674 -2.340 6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.292 -1.849 6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.218 -2.122 4.918 1.00 0.00 H new ATOM 0 HG CYS A 131 0.891 0.724 5.517 1.00 0.00 H new ATOM 828 N LYS A 132 0.860 -4.483 6.780 1.00 0.00 N ATOM 829 CA LYS A 132 1.441 -5.786 6.418 1.00 0.00 C ATOM 830 C LYS A 132 0.595 -7.046 6.595 1.00 0.00 C ATOM 831 O LYS A 132 0.055 -7.295 7.676 1.00 0.00 O ATOM 832 CB LYS A 132 2.829 -5.869 7.076 1.00 0.00 C ATOM 833 CG LYS A 132 2.956 -5.408 8.540 1.00 0.00 C ATOM 834 CD LYS A 132 2.701 -6.512 9.575 1.00 0.00 C ATOM 835 CE LYS A 132 1.372 -6.344 10.311 1.00 0.00 C ATOM 836 NZ LYS A 132 1.251 -7.449 11.266 1.00 0.00 N ATOM 0 H LYS A 132 1.519 -3.895 7.290 1.00 0.00 H new ATOM 0 HA LYS A 132 1.505 -5.795 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 132 3.165 -6.904 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.520 -5.276 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.956 -5.004 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 132 2.253 -4.594 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 132 2.714 -7.481 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 132 3.514 -6.517 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 132 1.340 -5.385 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 132 0.540 -6.354 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 0.354 -7.363 11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 1.270 -8.354 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 2.044 -7.415 11.938 1.00 0.00 H new ATOM 837 N ARG A 133 0.189 -7.596 5.461 1.00 0.00 N ATOM 838 CA ARG A 133 -0.452 -8.929 5.451 1.00 0.00 C ATOM 839 C ARG A 133 -0.116 -9.920 4.316 1.00 0.00 C ATOM 840 O ARG A 133 0.326 -11.019 4.640 1.00 0.00 O ATOM 841 CB ARG A 133 -1.976 -8.851 5.682 1.00 0.00 C ATOM 842 CG ARG A 133 -2.798 -8.357 4.506 1.00 0.00 C ATOM 843 CD ARG A 133 -2.619 -6.865 4.206 1.00 0.00 C ATOM 844 NE ARG A 133 -1.967 -6.794 2.888 1.00 0.00 N ATOM 845 CZ ARG A 133 -0.800 -6.223 2.628 1.00 0.00 C ATOM 846 NH1 ARG A 133 -0.152 -5.551 3.554 1.00 0.00 N ATOM 847 NH2 ARG A 133 -0.240 -6.330 1.431 1.00 0.00 N ATOM 0 H ARG A 133 0.283 -7.160 4.544 1.00 0.00 H new ATOM 0 HA ARG A 133 0.045 -9.387 6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -2.333 -9.843 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.162 -8.195 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -2.527 -8.931 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -3.852 -8.554 4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -3.580 -6.351 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.009 -6.383 4.970 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.458 -7.223 2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -0.547 -5.463 4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.745 -5.118 3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -0.708 -6.858 0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.659 -5.884 1.247 1.00 0.00 H new ATOM 848 N GLY A 134 -0.386 -9.546 3.067 1.00 0.00 N ATOM 849 CA GLY A 134 -0.172 -10.388 1.862 1.00 0.00 C ATOM 850 C GLY A 134 -1.300 -11.383 1.512 1.00 0.00 C ATOM 851 O GLY A 134 -2.226 -10.985 0.813 1.00 0.00 O ATOM 0 H GLY A 134 -0.770 -8.628 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.020 -9.729 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 134 0.751 -10.952 1.998 1.00 0.00 H new ATOM 852 N PRO A 135 -1.218 -12.666 1.916 1.00 0.00 N ATOM 853 CA PRO A 135 -2.156 -13.703 1.441 1.00 0.00 C ATOM 854 C PRO A 135 -3.621 -13.592 1.867 1.00 0.00 C ATOM 855 O PRO A 135 -4.498 -14.175 1.221 1.00 0.00 O ATOM 856 CB PRO A 135 -1.466 -15.025 1.767 1.00 0.00 C ATOM 857 CG PRO A 135 -0.731 -14.702 3.058 1.00 0.00 C ATOM 858 CD PRO A 135 -0.219 -13.277 2.814 1.00 0.00 C ATOM 0 HA PRO A 135 -2.326 -13.583 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.183 -15.835 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -0.782 -15.332 0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.393 -14.751 3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.087 -15.399 3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.135 -12.722 3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 135 0.771 -13.285 2.357 1.00 0.00 H new ATOM 859 N ARG A 136 -3.871 -12.812 2.907 1.00 0.00 N ATOM 860 CA ARG A 136 -5.223 -12.346 3.263 1.00 0.00 C ATOM 861 C ARG A 136 -5.838 -11.468 2.157 1.00 0.00 C ATOM 862 O ARG A 136 -6.984 -11.675 1.758 1.00 0.00 O ATOM 863 CB ARG A 136 -5.025 -11.534 4.540 1.00 0.00 C ATOM 864 CG ARG A 136 -6.344 -11.075 5.164 1.00 0.00 C ATOM 865 CD ARG A 136 -6.202 -9.612 5.593 1.00 0.00 C ATOM 866 NE ARG A 136 -7.472 -9.127 6.133 1.00 0.00 N ATOM 867 CZ ARG A 136 -7.684 -8.709 7.393 1.00 0.00 C ATOM 868 NH1 ARG A 136 -6.688 -8.525 8.242 1.00 0.00 N ATOM 869 NH2 ARG A 136 -8.901 -8.336 7.751 1.00 0.00 N ATOM 0 H ARG A 136 -3.144 -12.476 3.539 1.00 0.00 H new ATOM 0 HA ARG A 136 -5.911 -13.181 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.476 -12.135 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.411 -10.661 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -7.158 -11.181 4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.593 -11.698 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.418 -9.519 6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.902 -9.001 4.741 1.00 0.00 H new ATOM 0 HE ARG A 136 -8.268 -9.104 5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -5.727 -8.701 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.880 -8.207 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -9.664 -8.368 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -9.077 -8.017 8.704 1.00 0.00 H new ATOM 870 N THR A 137 -5.003 -10.635 1.555 1.00 0.00 N ATOM 871 CA THR A 137 -5.459 -9.502 0.732 1.00 0.00 C ATOM 872 C THR A 137 -5.552 -9.708 -0.778 1.00 0.00 C ATOM 873 O THR A 137 -4.646 -9.403 -1.555 1.00 0.00 O ATOM 874 CB THR A 137 -4.680 -8.225 1.030 1.00 0.00 C ATOM 875 OG1 THR A 137 -3.283 -8.516 1.151 1.00 0.00 O ATOM 876 CG2 THR A 137 -5.362 -7.513 2.200 1.00 0.00 C ATOM 0 H THR A 137 -3.988 -10.717 1.617 1.00 0.00 H new ATOM 0 HA THR A 137 -6.497 -9.410 1.053 1.00 0.00 H new ATOM 0 HB THR A 137 -4.704 -7.505 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 137 -3.110 -9.428 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 137 -4.822 -6.595 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 137 -6.390 -7.271 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 137 -5.361 -8.165 3.073 1.00 0.00 H new ATOM 877 N HIS A 138 -6.785 -10.068 -1.100 1.00 0.00 N ATOM 878 CA HIS A 138 -7.321 -10.126 -2.466 1.00 0.00 C ATOM 879 C HIS A 138 -8.539 -9.189 -2.623 1.00 0.00 C ATOM 880 O HIS A 138 -9.155 -8.750 -1.652 1.00 0.00 O ATOM 881 CB HIS A 138 -7.684 -11.575 -2.803 1.00 0.00 C ATOM 882 CG HIS A 138 -8.820 -12.127 -1.936 1.00 0.00 C ATOM 883 ND1 HIS A 138 -10.114 -11.842 -2.093 1.00 0.00 N ATOM 884 CD2 HIS A 138 -8.701 -12.964 -0.914 1.00 0.00 C ATOM 885 CE1 HIS A 138 -10.793 -12.497 -1.153 1.00 0.00 C ATOM 886 NE2 HIS A 138 -9.921 -13.189 -0.434 1.00 0.00 N ATOM 0 H HIS A 138 -7.471 -10.339 -0.396 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.561 -9.780 -3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.973 -11.636 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.802 -12.203 -2.678 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -10.512 -11.231 -2.806 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -7.780 -13.386 -0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -11.862 -12.469 -1.004 1.00 0.00 H new ATOM 887 N TYR A 139 -8.781 -8.790 -3.870 1.00 0.00 N ATOM 888 CA TYR A 139 -10.015 -8.113 -4.312 1.00 0.00 C ATOM 889 C TYR A 139 -11.290 -8.662 -3.673 1.00 0.00 C ATOM 890 O TYR A 139 -11.544 -9.868 -3.742 1.00 0.00 O ATOM 891 CB TYR A 139 -10.115 -8.140 -5.838 1.00 0.00 C ATOM 892 CG TYR A 139 -10.054 -6.759 -6.504 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.560 -5.605 -5.854 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.521 -6.688 -7.811 1.00 0.00 C ATOM 895 CE1 TYR A 139 -10.518 -4.367 -6.523 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.476 -5.442 -8.483 1.00 0.00 C ATOM 897 CZ TYR A 139 -9.987 -4.306 -7.826 1.00 0.00 C ATOM 898 OH TYR A 139 -10.006 -3.107 -8.473 1.00 0.00 O ATOM 0 H TYR A 139 -8.111 -8.929 -4.627 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.937 -7.082 -3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.306 -8.755 -6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -11.050 -8.624 -6.120 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.972 -5.675 -4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.150 -7.579 -8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -10.889 -3.474 -6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -9.059 -5.365 -9.476 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.775 -2.582 -8.167 1.00 0.00 H new ATOM 899 N GLY A 140 -11.828 -7.821 -2.798 1.00 0.00 N ATOM 900 CA GLY A 140 -13.022 -8.138 -1.989 1.00 0.00 C ATOM 901 C GLY A 140 -12.784 -7.808 -0.501 1.00 0.00 C ATOM 902 O GLY A 140 -13.723 -7.444 0.205 1.00 0.00 O ATOM 0 H GLY A 140 -11.452 -6.889 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.877 -7.572 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -13.269 -9.194 -2.096 1.00 0.00 H new ATOM 903 N GLN A 141 -11.526 -7.891 -0.074 1.00 0.00 N ATOM 904 CA GLN A 141 -11.083 -7.431 1.249 1.00 0.00 C ATOM 905 C GLN A 141 -11.259 -5.927 1.394 1.00 0.00 C ATOM 906 O GLN A 141 -10.651 -5.131 0.663 1.00 0.00 O ATOM 907 CB GLN A 141 -9.605 -7.704 1.472 1.00 0.00 C ATOM 908 CG GLN A 141 -9.255 -9.197 1.614 1.00 0.00 C ATOM 909 CD GLN A 141 -9.662 -9.787 2.960 1.00 0.00 C ATOM 910 OE1 GLN A 141 -10.078 -9.126 3.914 1.00 0.00 O ATOM 911 NE2 GLN A 141 -9.348 -11.051 3.151 1.00 0.00 N ATOM 0 H GLN A 141 -10.774 -8.283 -0.640 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.692 -7.975 1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -9.040 -7.287 0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.281 -7.179 2.371 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.746 -9.755 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -8.181 -9.326 1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -9.002 -11.614 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -9.451 -11.468 4.076 1.00 0.00 H new ATOM 912 N LYS A 142 -11.777 -5.637 2.569 1.00 0.00 N ATOM 913 CA LYS A 142 -11.944 -4.269 3.085 1.00 0.00 C ATOM 914 C LYS A 142 -10.652 -3.805 3.786 1.00 0.00 C ATOM 915 O LYS A 142 -10.577 -3.527 4.981 1.00 0.00 O ATOM 916 CB LYS A 142 -13.190 -4.287 3.983 1.00 0.00 C ATOM 917 CG LYS A 142 -14.430 -4.498 3.118 1.00 0.00 C ATOM 918 CD LYS A 142 -15.002 -3.171 2.638 1.00 0.00 C ATOM 919 CE LYS A 142 -16.134 -3.386 1.639 1.00 0.00 C ATOM 920 NZ LYS A 142 -16.694 -2.076 1.286 1.00 0.00 N ATOM 0 H LYS A 142 -12.105 -6.353 3.217 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.105 -3.535 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -13.108 -5.083 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.271 -3.349 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.175 -5.119 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -15.186 -5.038 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -15.370 -2.601 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -14.213 -2.578 2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -15.763 -3.892 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -16.905 -4.024 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -17.282 -2.168 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -17.277 -1.725 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -15.920 -1.406 1.102 1.00 0.00 H new ATOM 921 N ALA A 143 -9.615 -3.943 2.968 1.00 0.00 N ATOM 922 CA ALA A 143 -8.208 -3.666 3.314 1.00 0.00 C ATOM 923 C ALA A 143 -7.439 -3.010 2.165 1.00 0.00 C ATOM 924 O ALA A 143 -6.680 -2.075 2.403 1.00 0.00 O ATOM 925 CB ALA A 143 -7.507 -4.952 3.755 1.00 0.00 C ATOM 0 H ALA A 143 -9.726 -4.263 2.006 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.216 -2.955 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.470 -4.733 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.014 -5.362 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.537 -5.679 2.944 1.00 0.00 H new ATOM 926 N ILE A 144 -7.716 -3.450 0.939 1.00 0.00 N ATOM 927 CA ILE A 144 -6.946 -3.074 -0.273 1.00 0.00 C ATOM 928 C ILE A 144 -7.388 -1.806 -1.042 1.00 0.00 C ATOM 929 O ILE A 144 -6.645 -1.300 -1.878 1.00 0.00 O ATOM 930 CB ILE A 144 -6.848 -4.269 -1.253 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.211 -4.751 -1.766 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.010 -5.362 -0.583 1.00 0.00 C ATOM 933 CD1 ILE A 144 -8.029 -5.568 -3.042 1.00 0.00 C ATOM 0 H ILE A 144 -8.489 -4.086 0.744 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.973 -2.804 0.138 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.346 -3.951 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.702 -5.356 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.859 -3.896 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -5.925 -6.217 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.016 -4.974 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.492 -5.674 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -9.002 -5.906 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.557 -4.950 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.398 -6.432 -2.834 1.00 0.00 H new ATOM 934 N LEU A 145 -8.556 -1.254 -0.709 1.00 0.00 N ATOM 935 CA LEU A 145 -9.249 -0.298 -1.598 1.00 0.00 C ATOM 936 C LEU A 145 -9.044 1.182 -1.211 1.00 0.00 C ATOM 937 O LEU A 145 -9.878 1.792 -0.543 1.00 0.00 O ATOM 938 CB LEU A 145 -10.759 -0.603 -1.650 1.00 0.00 C ATOM 939 CG LEU A 145 -11.075 -2.065 -1.952 1.00 0.00 C ATOM 940 CD1 LEU A 145 -11.863 -2.675 -0.792 1.00 0.00 C ATOM 941 CD2 LEU A 145 -11.883 -2.181 -3.250 1.00 0.00 C ATOM 0 H LEU A 145 -9.047 -1.446 0.164 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.796 -0.435 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.209 -0.332 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.222 0.025 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 145 -10.138 -2.608 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -12.086 -3.719 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -11.271 -2.616 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -12.795 -2.126 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -12.100 -3.230 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -12.818 -1.630 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -11.306 -1.765 -4.076 1.00 0.00 H new ATOM 942 N PHE A 146 -7.890 1.709 -1.606 1.00 0.00 N ATOM 943 CA PHE A 146 -7.536 3.124 -1.327 1.00 0.00 C ATOM 944 C PHE A 146 -7.122 4.068 -2.442 1.00 0.00 C ATOM 945 O PHE A 146 -6.521 3.720 -3.450 1.00 0.00 O ATOM 946 CB PHE A 146 -6.508 3.240 -0.195 1.00 0.00 C ATOM 947 CG PHE A 146 -5.544 2.069 -0.092 1.00 0.00 C ATOM 948 CD1 PHE A 146 -4.600 1.831 -1.128 1.00 0.00 C ATOM 949 CD2 PHE A 146 -5.714 1.158 0.977 1.00 0.00 C ATOM 950 CE1 PHE A 146 -3.822 0.654 -1.079 1.00 0.00 C ATOM 951 CE2 PHE A 146 -4.922 -0.006 1.015 1.00 0.00 C ATOM 952 CZ PHE A 146 -3.990 -0.248 -0.013 1.00 0.00 C ATOM 0 H PHE A 146 -7.176 1.192 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.531 3.485 -1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -5.933 4.155 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -7.039 3.340 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.480 2.537 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -6.440 1.352 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.101 0.447 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -5.029 -0.709 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 146 -3.391 -1.146 0.018 1.00 0.00 H new ATOM 953 N LEU A 147 -7.517 5.306 -2.187 1.00 0.00 N ATOM 954 CA LEU A 147 -7.130 6.486 -2.974 1.00 0.00 C ATOM 955 C LEU A 147 -5.618 6.785 -2.934 1.00 0.00 C ATOM 956 O LEU A 147 -4.970 6.647 -1.895 1.00 0.00 O ATOM 957 CB LEU A 147 -7.880 7.711 -2.458 1.00 0.00 C ATOM 958 CG LEU A 147 -9.362 7.647 -2.822 1.00 0.00 C ATOM 959 CD1 LEU A 147 -10.222 7.609 -1.568 1.00 0.00 C ATOM 960 CD2 LEU A 147 -9.728 8.883 -3.629 1.00 0.00 C ATOM 0 H LEU A 147 -8.133 5.533 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.390 6.263 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.772 7.777 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -7.438 8.614 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 147 -9.541 6.742 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -11.274 7.564 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.966 6.729 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -10.043 8.507 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -10.785 8.845 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -9.534 9.776 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -9.128 8.915 -4.538 1.00 0.00 H new ATOM 961 N PRO A 148 -5.065 7.092 -4.108 1.00 0.00 N ATOM 962 CA PRO A 148 -3.812 7.873 -4.219 1.00 0.00 C ATOM 963 C PRO A 148 -3.910 9.231 -3.516 1.00 0.00 C ATOM 964 O PRO A 148 -4.995 9.710 -3.155 1.00 0.00 O ATOM 965 CB PRO A 148 -3.640 8.036 -5.726 1.00 0.00 C ATOM 966 CG PRO A 148 -4.120 6.690 -6.256 1.00 0.00 C ATOM 967 CD PRO A 148 -5.315 6.366 -5.362 1.00 0.00 C ATOM 0 HA PRO A 148 -2.967 7.380 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -4.235 8.862 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -2.603 8.234 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.408 6.750 -7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.344 5.928 -6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -6.250 6.686 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -5.396 5.293 -5.187 1.00 0.00 H new