USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1063 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 107 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.496 K(o=-0.5,f=-1.6) USER MOD Set 2.1: A 30 THR OG1 : rot -74:sc= -3.12! USER MOD Set 2.2: A 54 GLN : amide:sc= 0.0699 X(o=-3.1,f=-3.5) USER MOD Single : A 1 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.19) USER MOD Single : A 1 HIS N :NH3+ -158:sc= -0.354 (180deg=-0.784) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 8 GLN : amide:sc= -2.41! C(o=-2.4!,f=-5.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.07! C(o=-3.1!,f=-5.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 87:sc= 0.298 USER MOD Single : A 20 GLN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 145:sc=-0.00287 (180deg=-0.0873) USER MOD Single : A 22 THR OG1 : rot -28:sc= 1.13 USER MOD Single : A 25 THR OG1 : rot -120:sc= 0.149 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.158) USER MOD Single : A 38 ASN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 39 THR OG1 : rot 160:sc= 0 USER MOD Single : A 40 THR OG1 : rot -130:sc= -1.27 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= -0.0101 (180deg=-0.0101) USER MOD Single : A 44 THR OG1 : rot -112:sc= -0.557 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 56 TYR OH : rot -172:sc= 0.338 USER MOD Single : A 57 SER OG : rot -71:sc= 0.726 USER MOD Single : A 58 HIS : no HD1:sc=-0.00168 X(o=-0.0017,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -100:sc= -5.12! USER MOD Single : A 71 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.21) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 74 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.27) USER MOD Single : A 76 HIS : no HE2:sc= -9.4! C(o=-9.3!,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.64 K(o=-0.64,f=-3.7!) USER MOD Single : A 97 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 98 SER OG : rot 42:sc= 1.22 USER MOD Single : A 102 LYS NZ :NH3+ -155:sc= -1.79! (180deg=-3!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 106 GLN : amide:sc= -0.0704 K(o=-0.07,f=-1.7!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -134:sc= -1.99 (180deg=-6.01!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 30:sc= -0.802 USER MOD Single : A 125 SER OG : rot 8:sc= 0.683! USER MOD Single : A 126 LYS NZ :NH3+ -110:sc= 0.509 (180deg=-0.814) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 16.558 -3.306 -26.863 1.00 0.00 N ATOM 2 CA HIS A 1 15.169 -3.274 -27.401 1.00 0.00 C ATOM 3 C HIS A 1 14.858 -1.872 -27.927 1.00 0.00 C ATOM 4 O HIS A 1 13.859 -1.274 -27.580 1.00 0.00 O ATOM 5 CB HIS A 1 14.181 -3.631 -26.288 1.00 0.00 C ATOM 6 CG HIS A 1 14.519 -4.989 -25.734 1.00 0.00 C ATOM 7 ND1 HIS A 1 14.816 -6.067 -26.552 1.00 0.00 N ATOM 8 CD2 HIS A 1 14.610 -5.458 -24.447 1.00 0.00 C ATOM 9 CE1 HIS A 1 15.069 -7.122 -25.756 1.00 0.00 C ATOM 10 NE2 HIS A 1 14.958 -6.804 -24.462 1.00 0.00 N ATOM 0 H1 HIS A 1 16.904 -4.287 -26.853 1.00 0.00 H new ATOM 0 H2 HIS A 1 17.177 -2.726 -27.465 1.00 0.00 H new ATOM 0 H3 HIS A 1 16.564 -2.927 -25.894 1.00 0.00 H new ATOM 0 HA HIS A 1 15.078 -3.996 -28.213 1.00 0.00 H new ATOM 0 HB2 HIS A 1 14.223 -2.883 -25.496 1.00 0.00 H new ATOM 0 HB3 HIS A 1 13.163 -3.628 -26.676 1.00 0.00 H new ATOM 0 HD2 HIS A 1 14.437 -4.870 -23.557 1.00 0.00 H new ATOM 0 HE1 HIS A 1 15.330 -8.105 -26.118 1.00 0.00 H new ATOM 0 HE2 HIS A 1 15.098 -7.417 -23.659 1.00 0.00 H new ATOM 20 N LYS A 2 15.707 -1.343 -28.765 1.00 0.00 N ATOM 21 CA LYS A 2 15.459 0.021 -29.315 1.00 0.00 C ATOM 22 C LYS A 2 15.499 1.044 -28.179 1.00 0.00 C ATOM 23 O LYS A 2 15.378 0.704 -27.019 1.00 0.00 O ATOM 24 CB LYS A 2 14.086 0.056 -29.986 1.00 0.00 C ATOM 25 CG LYS A 2 14.262 0.099 -31.506 1.00 0.00 C ATOM 26 CD LYS A 2 13.601 -1.132 -32.130 1.00 0.00 C ATOM 27 CE LYS A 2 14.628 -1.889 -32.973 1.00 0.00 C ATOM 28 NZ LYS A 2 14.884 -1.139 -34.235 1.00 0.00 N ATOM 0 H LYS A 2 16.561 -1.795 -29.093 1.00 0.00 H new ATOM 0 HA LYS A 2 16.228 0.264 -30.048 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.508 -0.823 -29.701 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.527 0.929 -29.649 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.816 1.008 -31.909 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.322 0.124 -31.760 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.206 -1.781 -31.349 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.757 -0.830 -32.750 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.556 -2.009 -32.414 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.261 -2.890 -33.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.582 -1.653 -34.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.997 -1.047 -34.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.252 -0.193 -34.008 1.00 0.00 H new ATOM 42 N CYS A 3 15.665 2.296 -28.504 1.00 0.00 N ATOM 43 CA CYS A 3 15.710 3.343 -27.450 1.00 0.00 C ATOM 44 C CYS A 3 14.466 4.224 -27.558 1.00 0.00 C ATOM 45 O CYS A 3 13.947 4.451 -28.634 1.00 0.00 O ATOM 46 CB CYS A 3 16.950 4.202 -27.643 1.00 0.00 C ATOM 47 SG CYS A 3 18.100 3.930 -26.273 1.00 0.00 S ATOM 0 H CYS A 3 15.772 2.639 -29.459 1.00 0.00 H new ATOM 0 HA CYS A 3 15.741 2.870 -26.468 1.00 0.00 H new ATOM 0 HB2 CYS A 3 17.432 3.955 -28.589 1.00 0.00 H new ATOM 0 HB3 CYS A 3 16.671 5.254 -27.693 1.00 0.00 H new ATOM 52 N ASP A 4 13.982 4.728 -26.457 1.00 0.00 N ATOM 53 CA ASP A 4 12.776 5.594 -26.507 1.00 0.00 C ATOM 54 C ASP A 4 13.131 6.990 -25.992 1.00 0.00 C ATOM 55 O ASP A 4 14.147 7.192 -25.355 1.00 0.00 O ATOM 56 CB ASP A 4 11.682 4.993 -25.627 1.00 0.00 C ATOM 57 CG ASP A 4 10.314 5.260 -26.259 1.00 0.00 C ATOM 58 OD1 ASP A 4 10.282 5.831 -27.337 1.00 0.00 O ATOM 59 OD2 ASP A 4 9.323 4.888 -25.655 1.00 0.00 O ATOM 0 H ASP A 4 14.371 4.577 -25.526 1.00 0.00 H new ATOM 0 HA ASP A 4 12.420 5.663 -27.535 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.839 3.920 -25.515 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.724 5.428 -24.628 1.00 0.00 H new ATOM 64 N ILE A 5 12.302 7.952 -26.270 1.00 0.00 N ATOM 65 CA ILE A 5 12.580 9.342 -25.806 1.00 0.00 C ATOM 66 C ILE A 5 12.403 9.437 -24.287 1.00 0.00 C ATOM 67 O ILE A 5 13.030 10.244 -23.631 1.00 0.00 O ATOM 68 CB ILE A 5 11.614 10.307 -26.496 1.00 0.00 C ATOM 69 CG1 ILE A 5 12.023 10.471 -27.960 1.00 0.00 C ATOM 70 CG2 ILE A 5 11.661 11.670 -25.800 1.00 0.00 C ATOM 71 CD1 ILE A 5 13.462 10.987 -28.031 1.00 0.00 C ATOM 0 H ILE A 5 11.439 7.838 -26.801 1.00 0.00 H new ATOM 0 HA ILE A 5 13.607 9.605 -26.058 1.00 0.00 H new ATOM 0 HB ILE A 5 10.601 9.908 -26.439 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.941 9.517 -28.481 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.350 11.167 -28.461 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.972 12.355 -26.294 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.372 11.555 -24.755 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.673 12.072 -25.854 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.755 11.105 -29.074 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.529 11.950 -27.525 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.128 10.275 -27.545 1.00 0.00 H new ATOM 83 N THR A 6 11.541 8.634 -23.724 1.00 0.00 N ATOM 84 CA THR A 6 11.313 8.702 -22.254 1.00 0.00 C ATOM 85 C THR A 6 12.633 8.529 -21.504 1.00 0.00 C ATOM 86 O THR A 6 12.962 9.307 -20.631 1.00 0.00 O ATOM 87 CB THR A 6 10.343 7.595 -21.838 1.00 0.00 C ATOM 88 OG1 THR A 6 9.367 7.414 -22.854 1.00 0.00 O ATOM 89 CG2 THR A 6 9.655 7.987 -20.529 1.00 0.00 C ATOM 0 H THR A 6 10.986 7.935 -24.218 1.00 0.00 H new ATOM 0 HA THR A 6 10.891 9.676 -22.006 1.00 0.00 H new ATOM 0 HB THR A 6 10.892 6.664 -21.694 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.746 6.704 -22.589 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.963 7.199 -20.231 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.405 8.124 -19.750 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.105 8.917 -20.671 1.00 0.00 H new ATOM 97 N LEU A 7 13.389 7.512 -21.814 1.00 0.00 N ATOM 98 CA LEU A 7 14.665 7.311 -21.088 1.00 0.00 C ATOM 99 C LEU A 7 15.616 8.471 -21.353 1.00 0.00 C ATOM 100 O LEU A 7 16.144 9.059 -20.435 1.00 0.00 O ATOM 101 CB LEU A 7 15.349 5.988 -21.479 1.00 0.00 C ATOM 102 CG LEU A 7 15.311 5.680 -22.986 1.00 0.00 C ATOM 103 CD1 LEU A 7 16.412 4.668 -23.298 1.00 0.00 C ATOM 104 CD2 LEU A 7 13.966 5.057 -23.363 1.00 0.00 C ATOM 0 H LEU A 7 13.178 6.820 -22.533 1.00 0.00 H new ATOM 0 HA LEU A 7 14.425 7.267 -20.026 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.388 6.019 -21.152 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.869 5.171 -20.940 1.00 0.00 H new ATOM 0 HG LEU A 7 15.453 6.603 -23.547 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.402 4.436 -24.363 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.380 5.089 -23.028 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.240 3.756 -22.726 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.951 4.843 -24.432 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.825 4.131 -22.806 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.162 5.752 -23.120 1.00 0.00 H new ATOM 116 N GLN A 8 15.840 8.823 -22.582 1.00 0.00 N ATOM 117 CA GLN A 8 16.759 9.962 -22.849 1.00 0.00 C ATOM 118 C GLN A 8 16.335 11.132 -21.974 1.00 0.00 C ATOM 119 O GLN A 8 17.132 11.947 -21.555 1.00 0.00 O ATOM 120 CB GLN A 8 16.677 10.363 -24.326 1.00 0.00 C ATOM 121 CG GLN A 8 17.322 9.279 -25.190 1.00 0.00 C ATOM 122 CD GLN A 8 16.618 9.222 -26.548 1.00 0.00 C ATOM 123 OE1 GLN A 8 16.089 10.212 -27.011 1.00 0.00 O ATOM 124 NE2 GLN A 8 16.589 8.096 -27.207 1.00 0.00 N ATOM 0 H GLN A 8 15.434 8.380 -23.406 1.00 0.00 H new ATOM 0 HA GLN A 8 17.786 9.675 -22.623 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.636 10.503 -24.618 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.183 11.316 -24.483 1.00 0.00 H new ATOM 0 HG2 GLN A 8 18.382 9.491 -25.327 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.252 8.312 -24.691 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.034 7.265 -26.817 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.122 8.047 -28.112 1.00 0.00 H new ATOM 133 N GLU A 9 15.075 11.200 -21.697 1.00 0.00 N ATOM 134 CA GLU A 9 14.533 12.295 -20.843 1.00 0.00 C ATOM 135 C GLU A 9 14.963 12.098 -19.384 1.00 0.00 C ATOM 136 O GLU A 9 15.428 13.016 -18.738 1.00 0.00 O ATOM 137 CB GLU A 9 13.005 12.293 -20.925 1.00 0.00 C ATOM 138 CG GLU A 9 12.550 13.307 -21.977 1.00 0.00 C ATOM 139 CD GLU A 9 11.094 13.030 -22.358 1.00 0.00 C ATOM 140 OE1 GLU A 9 10.750 11.870 -22.499 1.00 0.00 O ATOM 141 OE2 GLU A 9 10.349 13.986 -22.498 1.00 0.00 O ATOM 0 H GLU A 9 14.378 10.534 -22.029 1.00 0.00 H new ATOM 0 HA GLU A 9 14.924 13.248 -21.201 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.645 11.297 -21.184 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.578 12.543 -19.954 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.648 14.320 -21.587 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.187 13.242 -22.859 1.00 0.00 H new ATOM 148 N ILE A 10 14.793 10.915 -18.851 1.00 0.00 N ATOM 149 CA ILE A 10 15.171 10.678 -17.427 1.00 0.00 C ATOM 150 C ILE A 10 16.678 10.833 -17.241 1.00 0.00 C ATOM 151 O ILE A 10 17.131 11.195 -16.184 1.00 0.00 O ATOM 152 CB ILE A 10 14.741 9.265 -17.006 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.231 9.239 -16.766 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.459 8.861 -15.716 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.497 9.254 -18.107 1.00 0.00 C ATOM 0 H ILE A 10 14.410 10.106 -19.339 1.00 0.00 H new ATOM 0 HA ILE A 10 14.664 11.415 -16.804 1.00 0.00 H new ATOM 0 HB ILE A 10 15.002 8.566 -17.800 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.958 8.348 -16.201 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.933 10.100 -16.167 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.148 7.858 -15.425 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.537 8.873 -15.880 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.205 9.564 -14.923 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.421 9.235 -17.933 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.760 10.158 -18.656 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.786 8.379 -18.690 1.00 0.00 H new ATOM 167 N ILE A 11 17.463 10.558 -18.235 1.00 0.00 N ATOM 168 CA ILE A 11 18.929 10.713 -18.055 1.00 0.00 C ATOM 169 C ILE A 11 19.264 12.198 -17.976 1.00 0.00 C ATOM 170 O ILE A 11 20.218 12.593 -17.341 1.00 0.00 O ATOM 171 CB ILE A 11 19.678 10.064 -19.219 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.240 8.595 -19.334 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.185 10.150 -18.955 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.327 7.764 -20.024 1.00 0.00 C ATOM 0 H ILE A 11 17.161 10.236 -19.155 1.00 0.00 H new ATOM 0 HA ILE A 11 19.237 10.219 -17.133 1.00 0.00 H new ATOM 0 HB ILE A 11 19.451 10.580 -20.152 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.039 8.190 -18.342 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.310 8.530 -19.899 1.00 0.00 H new ATOM 0 HG21 ILE A 11 21.726 9.689 -19.781 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.480 11.196 -18.867 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.423 9.627 -18.029 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.000 6.727 -20.097 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.507 8.159 -21.024 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.248 7.814 -19.443 1.00 0.00 H new ATOM 186 N LYS A 12 18.487 13.023 -18.614 1.00 0.00 N ATOM 187 CA LYS A 12 18.762 14.485 -18.565 1.00 0.00 C ATOM 188 C LYS A 12 18.477 15.005 -17.152 1.00 0.00 C ATOM 189 O LYS A 12 19.291 15.687 -16.559 1.00 0.00 O ATOM 190 CB LYS A 12 17.862 15.208 -19.568 1.00 0.00 C ATOM 191 CG LYS A 12 18.703 16.179 -20.398 1.00 0.00 C ATOM 192 CD LYS A 12 17.939 16.565 -21.666 1.00 0.00 C ATOM 193 CE LYS A 12 17.490 18.024 -21.567 1.00 0.00 C ATOM 194 NZ LYS A 12 18.591 18.915 -22.028 1.00 0.00 N ATOM 0 H LYS A 12 17.674 12.750 -19.167 1.00 0.00 H new ATOM 0 HA LYS A 12 19.806 14.670 -18.819 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.372 14.485 -20.220 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.075 15.749 -19.043 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.931 17.070 -19.813 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.655 15.718 -20.661 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.573 16.427 -22.542 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.073 15.915 -21.794 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.600 18.184 -22.175 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.220 18.264 -20.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.286 19.907 -21.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.429 18.769 -21.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.828 18.692 -23.016 1.00 0.00 H new ATOM 208 N THR A 13 17.327 14.696 -16.605 1.00 0.00 N ATOM 209 CA THR A 13 17.001 15.181 -15.233 1.00 0.00 C ATOM 210 C THR A 13 17.859 14.443 -14.202 1.00 0.00 C ATOM 211 O THR A 13 18.372 15.022 -13.265 1.00 0.00 O ATOM 212 CB THR A 13 15.517 14.923 -14.950 1.00 0.00 C ATOM 213 OG1 THR A 13 14.732 15.866 -15.666 1.00 0.00 O ATOM 214 CG2 THR A 13 15.245 15.061 -13.453 1.00 0.00 C ATOM 0 H THR A 13 16.604 14.131 -17.049 1.00 0.00 H new ATOM 0 HA THR A 13 17.208 16.249 -15.165 1.00 0.00 H new ATOM 0 HB THR A 13 15.257 13.914 -15.269 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.782 15.703 -15.489 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.189 14.877 -13.257 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.848 14.336 -12.905 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.504 16.068 -13.127 1.00 0.00 H new ATOM 222 N LEU A 14 18.008 13.167 -14.376 1.00 0.00 N ATOM 223 CA LEU A 14 18.818 12.352 -13.433 1.00 0.00 C ATOM 224 C LEU A 14 20.282 12.777 -13.542 1.00 0.00 C ATOM 225 O LEU A 14 21.043 12.687 -12.600 1.00 0.00 O ATOM 226 CB LEU A 14 18.658 10.877 -13.820 1.00 0.00 C ATOM 227 CG LEU A 14 19.485 9.985 -12.895 1.00 0.00 C ATOM 228 CD1 LEU A 14 19.023 10.178 -11.451 1.00 0.00 C ATOM 229 CD2 LEU A 14 19.283 8.521 -13.305 1.00 0.00 C ATOM 0 H LEU A 14 17.595 12.641 -15.147 1.00 0.00 H new ATOM 0 HA LEU A 14 18.487 12.498 -12.405 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.607 10.593 -13.764 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.973 10.730 -14.853 1.00 0.00 H new ATOM 0 HG LEU A 14 20.540 10.249 -12.973 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.613 9.541 -10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.156 11.221 -11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.970 9.910 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.869 7.876 -12.651 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.228 8.262 -13.220 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.608 8.384 -14.336 1.00 0.00 H new ATOM 241 N ASN A 15 20.673 13.238 -14.695 1.00 0.00 N ATOM 242 CA ASN A 15 22.083 13.675 -14.902 1.00 0.00 C ATOM 243 C ASN A 15 22.355 14.987 -14.139 1.00 0.00 C ATOM 244 O ASN A 15 23.353 15.105 -13.460 1.00 0.00 O ATOM 245 CB ASN A 15 22.325 13.907 -16.395 1.00 0.00 C ATOM 246 CG ASN A 15 22.781 12.600 -17.045 1.00 0.00 C ATOM 247 OD1 ASN A 15 22.456 11.527 -16.575 1.00 0.00 O ATOM 248 ND2 ASN A 15 23.527 12.644 -18.117 1.00 0.00 N ATOM 0 H ASN A 15 20.071 13.332 -15.513 1.00 0.00 H new ATOM 0 HA ASN A 15 22.751 12.899 -14.528 1.00 0.00 H new ATOM 0 HB2 ASN A 15 21.412 14.264 -16.872 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.081 14.679 -16.536 1.00 0.00 H new ATOM 0 HD21 ASN A 15 23.836 11.778 -18.559 1.00 0.00 H new ATOM 0 HD22 ASN A 15 23.800 13.544 -18.512 1.00 0.00 H new ATOM 255 N SER A 16 21.501 15.994 -14.257 1.00 0.00 N ATOM 256 CA SER A 16 21.775 17.278 -13.546 1.00 0.00 C ATOM 257 C SER A 16 21.843 17.057 -12.031 1.00 0.00 C ATOM 258 O SER A 16 22.766 17.496 -11.374 1.00 0.00 O ATOM 259 CB SER A 16 20.660 18.276 -13.859 1.00 0.00 C ATOM 260 OG SER A 16 20.766 19.394 -12.989 1.00 0.00 O ATOM 0 H SER A 16 20.643 15.973 -14.808 1.00 0.00 H new ATOM 0 HA SER A 16 22.735 17.666 -13.886 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.730 18.602 -14.897 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.687 17.800 -13.739 1.00 0.00 H new ATOM 0 HG SER A 16 20.052 20.034 -13.191 1.00 0.00 H new ATOM 266 N LEU A 17 20.868 16.401 -11.465 1.00 0.00 N ATOM 267 CA LEU A 17 20.878 16.179 -9.989 1.00 0.00 C ATOM 268 C LEU A 17 22.206 15.556 -9.547 1.00 0.00 C ATOM 269 O LEU A 17 22.750 15.906 -8.520 1.00 0.00 O ATOM 270 CB LEU A 17 19.721 15.249 -9.607 1.00 0.00 C ATOM 271 CG LEU A 17 18.405 15.831 -10.127 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.222 15.047 -9.544 1.00 0.00 C ATOM 273 CD2 LEU A 17 18.300 17.299 -9.707 1.00 0.00 C ATOM 0 H LEU A 17 20.066 16.009 -11.958 1.00 0.00 H new ATOM 0 HA LEU A 17 20.761 17.140 -9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.884 14.257 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.677 15.132 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 17 18.383 15.757 -11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.288 15.466 -9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.296 14.001 -9.843 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.241 15.116 -8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.363 17.717 -10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.325 17.369 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 17 19.137 17.858 -10.126 1.00 0.00 H new ATOM 285 N THR A 18 22.730 14.628 -10.300 1.00 0.00 N ATOM 286 CA THR A 18 24.016 13.987 -9.895 1.00 0.00 C ATOM 287 C THR A 18 25.165 14.977 -10.035 1.00 0.00 C ATOM 288 O THR A 18 25.980 15.143 -9.149 1.00 0.00 O ATOM 289 CB THR A 18 24.282 12.764 -10.775 1.00 0.00 C ATOM 290 OG1 THR A 18 23.214 11.838 -10.630 1.00 0.00 O ATOM 291 CG2 THR A 18 25.594 12.103 -10.351 1.00 0.00 C ATOM 0 H THR A 18 22.328 14.287 -11.173 1.00 0.00 H new ATOM 0 HA THR A 18 23.942 13.676 -8.853 1.00 0.00 H new ATOM 0 HB THR A 18 24.356 13.075 -11.817 1.00 0.00 H new ATOM 0 HG1 THR A 18 22.496 12.065 -11.258 1.00 0.00 H new ATOM 0 HG21 THR A 18 25.782 11.232 -10.979 1.00 0.00 H new ATOM 0 HG22 THR A 18 26.412 12.814 -10.463 1.00 0.00 H new ATOM 0 HG23 THR A 18 25.524 11.791 -9.309 1.00 0.00 H new ATOM 299 N GLU A 19 25.229 15.629 -11.144 1.00 0.00 N ATOM 300 CA GLU A 19 26.318 16.619 -11.375 1.00 0.00 C ATOM 301 C GLU A 19 26.395 17.555 -10.180 1.00 0.00 C ATOM 302 O GLU A 19 27.439 18.072 -9.833 1.00 0.00 O ATOM 303 CB GLU A 19 26.028 17.422 -12.646 1.00 0.00 C ATOM 304 CG GLU A 19 26.978 18.619 -12.720 1.00 0.00 C ATOM 305 CD GLU A 19 26.646 19.460 -13.954 1.00 0.00 C ATOM 306 OE1 GLU A 19 25.613 20.110 -13.943 1.00 0.00 O ATOM 307 OE2 GLU A 19 27.428 19.439 -14.889 1.00 0.00 O ATOM 0 H GLU A 19 24.571 15.525 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 19 27.268 16.099 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 19 26.153 16.790 -13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.993 17.765 -12.644 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.887 19.225 -11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 19 28.011 18.274 -12.769 1.00 0.00 H new ATOM 314 N GLN A 20 25.288 17.757 -9.550 1.00 0.00 N ATOM 315 CA GLN A 20 25.248 18.646 -8.353 1.00 0.00 C ATOM 316 C GLN A 20 24.103 18.211 -7.435 1.00 0.00 C ATOM 317 O GLN A 20 22.946 18.264 -7.799 1.00 0.00 O ATOM 318 CB GLN A 20 25.046 20.099 -8.789 1.00 0.00 C ATOM 319 CG GLN A 20 23.873 20.180 -9.760 1.00 0.00 C ATOM 320 CD GLN A 20 23.234 21.566 -9.674 1.00 0.00 C ATOM 321 OE1 GLN A 20 22.025 21.690 -9.645 1.00 0.00 O ATOM 322 NE2 GLN A 20 23.999 22.623 -9.636 1.00 0.00 N ATOM 0 H GLN A 20 24.392 17.343 -9.809 1.00 0.00 H new ATOM 0 HA GLN A 20 26.192 18.569 -7.813 1.00 0.00 H new ATOM 0 HB2 GLN A 20 24.856 20.728 -7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 20 25.952 20.477 -9.264 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.215 19.988 -10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 20 23.136 19.413 -9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 20 25.013 22.519 -9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.582 23.552 -9.582 1.00 0.00 H new ATOM 331 N LYS A 21 24.414 17.767 -6.245 1.00 0.00 N ATOM 332 CA LYS A 21 23.335 17.319 -5.319 1.00 0.00 C ATOM 333 C LYS A 21 23.656 17.779 -3.893 1.00 0.00 C ATOM 334 O LYS A 21 23.504 17.037 -2.943 1.00 0.00 O ATOM 335 CB LYS A 21 23.239 15.792 -5.360 1.00 0.00 C ATOM 336 CG LYS A 21 21.841 15.355 -4.921 1.00 0.00 C ATOM 337 CD LYS A 21 21.557 13.944 -5.441 1.00 0.00 C ATOM 338 CE LYS A 21 22.620 12.980 -4.910 1.00 0.00 C ATOM 339 NZ LYS A 21 23.530 12.584 -6.022 1.00 0.00 N ATOM 0 H LYS A 21 25.363 17.696 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 21 22.384 17.753 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.444 15.431 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.991 15.352 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 21 21.768 15.374 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.095 16.051 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.566 13.620 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.559 13.940 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.190 13.454 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.145 12.097 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.496 12.466 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.204 11.687 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.526 13.323 -6.754 1.00 0.00 H new ATOM 353 N THR A 22 24.107 18.995 -3.737 1.00 0.00 N ATOM 354 CA THR A 22 24.447 19.499 -2.374 1.00 0.00 C ATOM 355 C THR A 22 23.225 20.181 -1.729 1.00 0.00 C ATOM 356 O THR A 22 23.342 20.790 -0.686 1.00 0.00 O ATOM 357 CB THR A 22 25.580 20.521 -2.491 1.00 0.00 C ATOM 358 OG1 THR A 22 25.875 21.046 -1.204 1.00 0.00 O ATOM 359 CG2 THR A 22 25.152 21.657 -3.421 1.00 0.00 C ATOM 0 H THR A 22 24.255 19.662 -4.495 1.00 0.00 H new ATOM 0 HA THR A 22 24.752 18.658 -1.752 1.00 0.00 H new ATOM 0 HB THR A 22 26.467 20.036 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 22 25.072 21.008 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.960 22.384 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.925 21.253 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 22 24.265 22.144 -3.016 1.00 0.00 H new ATOM 367 N LEU A 23 22.051 20.100 -2.324 1.00 0.00 N ATOM 368 CA LEU A 23 20.873 20.760 -1.704 1.00 0.00 C ATOM 369 C LEU A 23 20.363 19.911 -0.555 1.00 0.00 C ATOM 370 O LEU A 23 20.678 20.133 0.596 1.00 0.00 O ATOM 371 CB LEU A 23 19.771 20.938 -2.752 1.00 0.00 C ATOM 372 CG LEU A 23 19.512 22.431 -2.961 1.00 0.00 C ATOM 373 CD1 LEU A 23 19.069 23.058 -1.637 1.00 0.00 C ATOM 374 CD2 LEU A 23 20.797 23.110 -3.440 1.00 0.00 C ATOM 0 H LEU A 23 21.869 19.610 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 23 21.163 21.740 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 23 20.068 20.473 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 23 18.858 20.441 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 23 18.730 22.564 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 18.884 24.122 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.155 22.574 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 23 19.853 22.925 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 23 20.613 24.174 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 23 21.579 22.979 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 23 21.116 22.662 -4.381 1.00 0.00 H new ATOM 386 N CYS A 24 19.580 18.944 -0.871 1.00 0.00 N ATOM 387 CA CYS A 24 19.028 18.054 0.179 1.00 0.00 C ATOM 388 C CYS A 24 19.597 16.639 -0.004 1.00 0.00 C ATOM 389 O CYS A 24 20.622 16.316 0.560 1.00 0.00 O ATOM 390 CB CYS A 24 17.498 18.052 0.089 1.00 0.00 C ATOM 391 SG CYS A 24 16.796 17.968 1.751 1.00 0.00 S ATOM 0 H CYS A 24 19.289 18.721 -1.823 1.00 0.00 H new ATOM 0 HA CYS A 24 19.313 18.414 1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 24 17.152 18.953 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.159 17.202 -0.504 1.00 0.00 H new ATOM 396 N THR A 25 18.958 15.802 -0.791 1.00 0.00 N ATOM 397 CA THR A 25 19.474 14.417 -1.001 1.00 0.00 C ATOM 398 C THR A 25 20.036 13.871 0.316 1.00 0.00 C ATOM 399 O THR A 25 19.747 14.380 1.379 1.00 0.00 O ATOM 400 CB THR A 25 20.559 14.434 -2.080 1.00 0.00 C ATOM 401 OG1 THR A 25 20.835 13.105 -2.501 1.00 0.00 O ATOM 402 CG2 THR A 25 21.831 15.075 -1.523 1.00 0.00 C ATOM 0 H THR A 25 18.100 16.023 -1.296 1.00 0.00 H new ATOM 0 HA THR A 25 18.662 13.769 -1.329 1.00 0.00 H new ATOM 0 HB THR A 25 20.209 15.016 -2.933 1.00 0.00 H new ATOM 0 HG1 THR A 25 21.778 12.897 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 25 22.601 15.085 -2.294 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.617 16.097 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.183 14.500 -0.666 1.00 0.00 H new ATOM 410 N GLU A 26 20.819 12.830 0.271 1.00 0.00 N ATOM 411 CA GLU A 26 21.357 12.271 1.540 1.00 0.00 C ATOM 412 C GLU A 26 20.205 12.136 2.539 1.00 0.00 C ATOM 413 O GLU A 26 20.407 12.092 3.736 1.00 0.00 O ATOM 414 CB GLU A 26 22.423 13.210 2.108 1.00 0.00 C ATOM 415 CG GLU A 26 23.793 12.534 2.024 1.00 0.00 C ATOM 416 CD GLU A 26 24.849 13.567 1.621 1.00 0.00 C ATOM 417 OE1 GLU A 26 25.158 14.417 2.439 1.00 0.00 O ATOM 418 OE2 GLU A 26 25.331 13.487 0.504 1.00 0.00 O ATOM 0 H GLU A 26 21.107 12.347 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 26 21.808 11.296 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.433 14.147 1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.190 13.458 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 26 24.051 12.091 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.766 11.723 1.296 1.00 0.00 H new ATOM 425 N LEU A 27 18.997 12.060 2.047 1.00 0.00 N ATOM 426 CA LEU A 27 17.823 11.919 2.947 1.00 0.00 C ATOM 427 C LEU A 27 17.316 10.486 2.836 1.00 0.00 C ATOM 428 O LEU A 27 17.471 9.846 1.820 1.00 0.00 O ATOM 429 CB LEU A 27 16.724 12.896 2.518 1.00 0.00 C ATOM 430 CG LEU A 27 17.234 14.349 2.591 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.055 15.301 2.812 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.226 14.509 3.750 1.00 0.00 C ATOM 0 H LEU A 27 18.775 12.090 1.052 1.00 0.00 H new ATOM 0 HA LEU A 27 18.102 12.142 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.403 12.668 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.852 12.778 3.162 1.00 0.00 H new ATOM 0 HG LEU A 27 17.734 14.587 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.420 16.327 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.351 15.207 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.553 15.048 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.577 15.540 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.732 14.258 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.075 13.842 3.597 1.00 0.00 H new ATOM 444 N THR A 28 16.736 9.964 3.871 1.00 0.00 N ATOM 445 CA THR A 28 16.261 8.556 3.807 1.00 0.00 C ATOM 446 C THR A 28 15.231 8.373 2.688 1.00 0.00 C ATOM 447 O THR A 28 14.311 9.151 2.528 1.00 0.00 O ATOM 448 CB THR A 28 15.655 8.155 5.148 1.00 0.00 C ATOM 449 OG1 THR A 28 15.106 9.302 5.782 1.00 0.00 O ATOM 450 CG2 THR A 28 16.751 7.551 6.026 1.00 0.00 C ATOM 0 H THR A 28 16.569 10.444 4.755 1.00 0.00 H new ATOM 0 HA THR A 28 17.115 7.914 3.589 1.00 0.00 H new ATOM 0 HB THR A 28 14.864 7.421 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.715 9.044 6.643 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.328 7.261 6.988 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.169 6.673 5.534 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.538 8.288 6.184 1.00 0.00 H new ATOM 458 N VAL A 29 15.400 7.334 1.919 1.00 0.00 N ATOM 459 CA VAL A 29 14.468 7.034 0.789 1.00 0.00 C ATOM 460 C VAL A 29 14.018 5.580 0.939 1.00 0.00 C ATOM 461 O VAL A 29 14.492 4.866 1.799 1.00 0.00 O ATOM 462 CB VAL A 29 15.211 7.195 -0.550 1.00 0.00 C ATOM 463 CG1 VAL A 29 14.429 8.029 -1.571 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.538 7.898 -0.329 1.00 0.00 C ATOM 0 H VAL A 29 16.161 6.664 2.027 1.00 0.00 H new ATOM 0 HA VAL A 29 13.615 7.712 0.806 1.00 0.00 H new ATOM 0 HB VAL A 29 15.343 6.186 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.004 8.107 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.473 7.548 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.253 9.026 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 29 17.055 8.007 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.360 8.883 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.153 7.309 0.352 1.00 0.00 H new ATOM 474 N THR A 30 13.119 5.125 0.114 1.00 0.00 N ATOM 475 CA THR A 30 12.670 3.708 0.234 1.00 0.00 C ATOM 476 C THR A 30 13.674 2.802 -0.483 1.00 0.00 C ATOM 477 O THR A 30 13.872 2.901 -1.677 1.00 0.00 O ATOM 478 CB THR A 30 11.289 3.551 -0.401 1.00 0.00 C ATOM 479 OG1 THR A 30 10.712 4.833 -0.601 1.00 0.00 O ATOM 480 CG2 THR A 30 10.392 2.725 0.524 1.00 0.00 C ATOM 0 H THR A 30 12.678 5.664 -0.631 1.00 0.00 H new ATOM 0 HA THR A 30 12.612 3.429 1.286 1.00 0.00 H new ATOM 0 HB THR A 30 11.386 3.043 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.414 5.196 0.259 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.407 2.613 0.071 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.835 1.741 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.294 3.232 1.484 1.00 0.00 H new ATOM 488 N ASP A 31 14.317 1.925 0.241 1.00 0.00 N ATOM 489 CA ASP A 31 15.319 1.017 -0.393 1.00 0.00 C ATOM 490 C ASP A 31 14.615 0.035 -1.334 1.00 0.00 C ATOM 491 O ASP A 31 14.289 -1.074 -0.958 1.00 0.00 O ATOM 492 CB ASP A 31 16.055 0.236 0.698 1.00 0.00 C ATOM 493 CG ASP A 31 17.202 -0.558 0.072 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.153 -0.787 -1.126 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.110 -0.923 0.799 1.00 0.00 O ATOM 0 H ASP A 31 14.192 1.798 1.245 1.00 0.00 H new ATOM 0 HA ASP A 31 16.030 1.612 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.442 0.921 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.365 -0.439 1.205 1.00 0.00 H new ATOM 500 N ILE A 32 14.383 0.431 -2.555 1.00 0.00 N ATOM 501 CA ILE A 32 13.703 -0.485 -3.522 1.00 0.00 C ATOM 502 C ILE A 32 14.741 -1.383 -4.202 1.00 0.00 C ATOM 503 O ILE A 32 14.647 -1.666 -5.381 1.00 0.00 O ATOM 504 CB ILE A 32 12.992 0.351 -4.600 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.045 1.011 -5.496 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.153 1.432 -3.923 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.864 0.531 -6.936 1.00 0.00 C ATOM 0 H ILE A 32 14.633 1.347 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 32 12.980 -1.099 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 32 12.347 -0.289 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.950 2.096 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.046 0.763 -5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.646 2.028 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.412 0.965 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.801 2.076 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.613 1.001 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.981 -0.552 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.868 0.801 -7.287 1.00 0.00 H new ATOM 519 N PHE A 33 15.733 -1.825 -3.484 1.00 0.00 N ATOM 520 CA PHE A 33 16.771 -2.691 -4.111 1.00 0.00 C ATOM 521 C PHE A 33 17.117 -3.868 -3.180 1.00 0.00 C ATOM 522 O PHE A 33 18.258 -4.278 -3.099 1.00 0.00 O ATOM 523 CB PHE A 33 18.024 -1.850 -4.366 1.00 0.00 C ATOM 524 CG PHE A 33 17.716 -0.831 -5.439 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.570 -1.240 -6.771 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.564 0.521 -5.103 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.274 -0.299 -7.763 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.269 1.461 -6.097 1.00 0.00 C ATOM 529 CZ PHE A 33 17.123 1.051 -7.428 1.00 0.00 C ATOM 0 H PHE A 33 15.871 -1.626 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 33 16.391 -3.092 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.336 -1.350 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 33 18.850 -2.489 -4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.686 -2.282 -7.032 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.675 0.838 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.162 -0.615 -8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.154 2.503 -5.837 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.894 1.776 -8.195 1.00 0.00 H new ATOM 539 N ALA A 34 16.151 -4.425 -2.480 1.00 0.00 N ATOM 540 CA ALA A 34 16.458 -5.569 -1.578 1.00 0.00 C ATOM 541 C ALA A 34 16.099 -6.867 -2.295 1.00 0.00 C ATOM 542 O ALA A 34 15.534 -7.778 -1.720 1.00 0.00 O ATOM 543 CB ALA A 34 15.636 -5.446 -0.293 1.00 0.00 C ATOM 0 H ALA A 34 15.173 -4.134 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 34 17.518 -5.567 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.863 -6.285 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.885 -4.512 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.574 -5.454 -0.538 1.00 0.00 H new ATOM 549 N ALA A 35 16.431 -6.954 -3.549 1.00 0.00 N ATOM 550 CA ALA A 35 16.134 -8.173 -4.330 1.00 0.00 C ATOM 551 C ALA A 35 17.120 -8.212 -5.483 1.00 0.00 C ATOM 552 O ALA A 35 16.807 -7.846 -6.599 1.00 0.00 O ATOM 553 CB ALA A 35 14.703 -8.111 -4.869 1.00 0.00 C ATOM 0 H ALA A 35 16.904 -6.217 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 35 16.224 -9.065 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.491 -9.013 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.003 -8.039 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.594 -7.237 -5.512 1.00 0.00 H new ATOM 559 N SER A 36 18.326 -8.626 -5.217 1.00 0.00 N ATOM 560 CA SER A 36 19.359 -8.661 -6.290 1.00 0.00 C ATOM 561 C SER A 36 19.087 -9.777 -7.296 1.00 0.00 C ATOM 562 O SER A 36 19.960 -10.175 -8.040 1.00 0.00 O ATOM 563 CB SER A 36 20.745 -8.853 -5.669 1.00 0.00 C ATOM 564 OG SER A 36 21.646 -7.903 -6.220 1.00 0.00 O ATOM 0 H SER A 36 18.643 -8.943 -4.301 1.00 0.00 H new ATOM 0 HA SER A 36 19.320 -7.711 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 36 20.690 -8.733 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 36 21.104 -9.864 -5.860 1.00 0.00 H new ATOM 0 HG SER A 36 22.533 -8.024 -5.822 1.00 0.00 H new ATOM 570 N LYS A 37 17.889 -10.263 -7.350 1.00 0.00 N ATOM 571 CA LYS A 37 17.571 -11.322 -8.337 1.00 0.00 C ATOM 572 C LYS A 37 17.585 -10.702 -9.735 1.00 0.00 C ATOM 573 O LYS A 37 17.501 -11.392 -10.731 1.00 0.00 O ATOM 574 CB LYS A 37 16.189 -11.910 -8.042 1.00 0.00 C ATOM 575 CG LYS A 37 16.316 -13.416 -7.805 1.00 0.00 C ATOM 576 CD LYS A 37 15.229 -14.151 -8.593 1.00 0.00 C ATOM 577 CE LYS A 37 15.442 -15.661 -8.471 1.00 0.00 C ATOM 578 NZ LYS A 37 15.149 -16.093 -7.075 1.00 0.00 N ATOM 0 H LYS A 37 17.113 -9.974 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 37 18.309 -12.122 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.757 -11.428 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.515 -11.718 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.302 -13.762 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.221 -13.637 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.244 -13.880 -8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.260 -13.852 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.793 -16.188 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.468 -15.917 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.111 -17.131 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.898 -15.748 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.234 -15.701 -6.775 1.00 0.00 H new ATOM 592 N ASN A 38 17.700 -9.401 -9.812 1.00 0.00 N ATOM 593 CA ASN A 38 17.730 -8.734 -11.144 1.00 0.00 C ATOM 594 C ASN A 38 16.317 -8.672 -11.727 1.00 0.00 C ATOM 595 O ASN A 38 16.013 -9.318 -12.709 1.00 0.00 O ATOM 596 CB ASN A 38 18.635 -9.525 -12.090 1.00 0.00 C ATOM 597 CG ASN A 38 19.616 -8.572 -12.776 1.00 0.00 C ATOM 598 OD1 ASN A 38 20.811 -8.797 -12.759 1.00 0.00 O ATOM 599 ND2 ASN A 38 19.161 -7.511 -13.382 1.00 0.00 N ATOM 0 H ASN A 38 17.774 -8.774 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 38 18.116 -7.721 -11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 38 19.181 -10.288 -11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 38 18.033 -10.044 -12.837 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.807 -6.870 -13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.159 -7.322 -13.396 1.00 0.00 H new ATOM 606 N THR A 39 15.454 -7.898 -11.132 1.00 0.00 N ATOM 607 CA THR A 39 14.064 -7.793 -11.658 1.00 0.00 C ATOM 608 C THR A 39 14.065 -6.916 -12.914 1.00 0.00 C ATOM 609 O THR A 39 14.963 -6.127 -13.128 1.00 0.00 O ATOM 610 CB THR A 39 13.161 -7.163 -10.595 1.00 0.00 C ATOM 611 OG1 THR A 39 11.805 -7.271 -11.005 1.00 0.00 O ATOM 612 CG2 THR A 39 13.528 -5.688 -10.420 1.00 0.00 C ATOM 0 H THR A 39 15.650 -7.334 -10.305 1.00 0.00 H new ATOM 0 HA THR A 39 13.690 -8.787 -11.906 1.00 0.00 H new ATOM 0 HB THR A 39 13.297 -7.683 -9.647 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.219 -7.175 -10.226 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.884 -5.240 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.569 -5.607 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.393 -5.165 -11.367 1.00 0.00 H new ATOM 620 N THR A 40 13.066 -7.046 -13.745 1.00 0.00 N ATOM 621 CA THR A 40 13.015 -6.219 -14.984 1.00 0.00 C ATOM 622 C THR A 40 13.393 -4.775 -14.648 1.00 0.00 C ATOM 623 O THR A 40 13.068 -4.270 -13.590 1.00 0.00 O ATOM 624 CB THR A 40 11.600 -6.256 -15.564 1.00 0.00 C ATOM 625 OG1 THR A 40 10.669 -5.867 -14.563 1.00 0.00 O ATOM 626 CG2 THR A 40 11.277 -7.672 -16.041 1.00 0.00 C ATOM 0 H THR A 40 12.284 -7.689 -13.619 1.00 0.00 H new ATOM 0 HA THR A 40 13.717 -6.617 -15.717 1.00 0.00 H new ATOM 0 HB THR A 40 11.536 -5.569 -16.408 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.943 -6.524 -14.518 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.268 -7.696 -16.454 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.991 -7.969 -16.810 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.341 -8.363 -15.200 1.00 0.00 H new ATOM 634 N GLU A 41 14.075 -4.105 -15.535 1.00 0.00 N ATOM 635 CA GLU A 41 14.472 -2.694 -15.258 1.00 0.00 C ATOM 636 C GLU A 41 13.216 -1.835 -15.106 1.00 0.00 C ATOM 637 O GLU A 41 13.097 -1.052 -14.187 1.00 0.00 O ATOM 638 CB GLU A 41 15.320 -2.159 -16.414 1.00 0.00 C ATOM 639 CG GLU A 41 16.483 -3.117 -16.682 1.00 0.00 C ATOM 640 CD GLU A 41 17.798 -2.338 -16.668 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.792 -1.194 -17.094 1.00 0.00 O ATOM 642 OE2 GLU A 41 18.791 -2.898 -16.233 1.00 0.00 O ATOM 0 H GLU A 41 14.375 -4.472 -16.438 1.00 0.00 H new ATOM 0 HA GLU A 41 15.055 -2.656 -14.338 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.708 -2.054 -17.310 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.701 -1.167 -16.171 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.504 -3.901 -15.925 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.349 -3.608 -17.646 1.00 0.00 H new ATOM 649 N LYS A 42 12.276 -1.974 -15.998 1.00 0.00 N ATOM 650 CA LYS A 42 11.032 -1.161 -15.893 1.00 0.00 C ATOM 651 C LYS A 42 10.426 -1.340 -14.498 1.00 0.00 C ATOM 652 O LYS A 42 9.823 -0.438 -13.953 1.00 0.00 O ATOM 653 CB LYS A 42 10.029 -1.625 -16.950 1.00 0.00 C ATOM 654 CG LYS A 42 10.005 -3.155 -16.994 1.00 0.00 C ATOM 655 CD LYS A 42 8.658 -3.630 -17.541 1.00 0.00 C ATOM 656 CE LYS A 42 8.280 -4.959 -16.884 1.00 0.00 C ATOM 657 NZ LYS A 42 8.603 -6.081 -17.810 1.00 0.00 N ATOM 0 H LYS A 42 12.314 -2.613 -16.792 1.00 0.00 H new ATOM 0 HA LYS A 42 11.268 -0.109 -16.055 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.036 -1.242 -16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.303 -1.227 -17.927 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.815 -3.524 -17.623 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.167 -3.560 -15.995 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.889 -2.883 -17.343 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.715 -3.750 -18.623 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.822 -5.080 -15.946 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.217 -4.968 -16.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.346 -6.984 -17.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.067 -5.967 -18.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.622 -6.076 -18.020 1.00 0.00 H new ATOM 671 N GLU A 43 10.582 -2.499 -13.919 1.00 0.00 N ATOM 672 CA GLU A 43 10.015 -2.738 -12.561 1.00 0.00 C ATOM 673 C GLU A 43 10.799 -1.931 -11.525 1.00 0.00 C ATOM 674 O GLU A 43 10.225 -1.268 -10.684 1.00 0.00 O ATOM 675 CB GLU A 43 10.106 -4.226 -12.224 1.00 0.00 C ATOM 676 CG GLU A 43 9.574 -4.462 -10.808 1.00 0.00 C ATOM 677 CD GLU A 43 8.060 -4.673 -10.860 1.00 0.00 C ATOM 678 OE1 GLU A 43 7.639 -5.664 -11.433 1.00 0.00 O ATOM 679 OE2 GLU A 43 7.348 -3.839 -10.326 1.00 0.00 O ATOM 0 H GLU A 43 11.078 -3.291 -14.328 1.00 0.00 H new ATOM 0 HA GLU A 43 8.971 -2.425 -12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.529 -4.808 -12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.140 -4.564 -12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.058 -5.333 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.811 -3.609 -10.172 1.00 0.00 H new ATOM 686 N THR A 44 12.104 -1.973 -11.572 1.00 0.00 N ATOM 687 CA THR A 44 12.891 -1.192 -10.573 1.00 0.00 C ATOM 688 C THR A 44 12.534 0.281 -10.726 1.00 0.00 C ATOM 689 O THR A 44 12.568 1.044 -9.789 1.00 0.00 O ATOM 690 CB THR A 44 14.405 -1.392 -10.772 1.00 0.00 C ATOM 691 OG1 THR A 44 15.085 -0.965 -9.600 1.00 0.00 O ATOM 692 CG2 THR A 44 14.898 -0.573 -11.967 1.00 0.00 C ATOM 0 H THR A 44 12.652 -2.505 -12.247 1.00 0.00 H new ATOM 0 HA THR A 44 12.644 -1.542 -9.571 1.00 0.00 H new ATOM 0 HB THR A 44 14.604 -2.447 -10.961 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.607 -0.160 -9.800 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.970 -0.725 -12.095 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.376 -0.894 -12.868 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.700 0.484 -11.790 1.00 0.00 H new ATOM 700 N PHE A 45 12.184 0.670 -11.912 1.00 0.00 N ATOM 701 CA PHE A 45 11.800 2.087 -12.159 1.00 0.00 C ATOM 702 C PHE A 45 10.434 2.367 -11.526 1.00 0.00 C ATOM 703 O PHE A 45 10.155 3.469 -11.096 1.00 0.00 O ATOM 704 CB PHE A 45 11.735 2.338 -13.661 1.00 0.00 C ATOM 705 CG PHE A 45 13.156 2.312 -14.246 1.00 0.00 C ATOM 706 CD1 PHE A 45 14.277 2.124 -13.405 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.361 2.469 -15.630 1.00 0.00 C ATOM 708 CE1 PHE A 45 15.567 2.097 -13.945 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.656 2.439 -16.158 1.00 0.00 C ATOM 710 CZ PHE A 45 15.755 2.254 -15.318 1.00 0.00 C ATOM 0 H PHE A 45 12.146 0.064 -12.732 1.00 0.00 H new ATOM 0 HA PHE A 45 12.542 2.750 -11.714 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.118 1.578 -14.141 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.266 3.302 -13.860 1.00 0.00 H new ATOM 0 HD1 PHE A 45 14.137 2.001 -12.341 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.515 2.613 -16.286 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.419 1.954 -13.297 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.806 2.560 -17.221 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.752 2.232 -15.732 1.00 0.00 H new ATOM 720 N CYS A 46 9.574 1.381 -11.480 1.00 0.00 N ATOM 721 CA CYS A 46 8.222 1.595 -10.892 1.00 0.00 C ATOM 722 C CYS A 46 8.340 1.773 -9.374 1.00 0.00 C ATOM 723 O CYS A 46 7.825 2.718 -8.810 1.00 0.00 O ATOM 724 CB CYS A 46 7.343 0.378 -11.217 1.00 0.00 C ATOM 725 SG CYS A 46 5.879 0.360 -10.147 1.00 0.00 S ATOM 0 H CYS A 46 9.752 0.438 -11.825 1.00 0.00 H new ATOM 0 HA CYS A 46 7.770 2.493 -11.313 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.038 0.410 -12.263 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.915 -0.540 -11.079 1.00 0.00 H new ATOM 730 N ARG A 47 9.013 0.875 -8.707 1.00 0.00 N ATOM 731 CA ARG A 47 9.159 1.004 -7.229 1.00 0.00 C ATOM 732 C ARG A 47 10.091 2.174 -6.906 1.00 0.00 C ATOM 733 O ARG A 47 9.912 2.877 -5.931 1.00 0.00 O ATOM 734 CB ARG A 47 9.750 -0.291 -6.664 1.00 0.00 C ATOM 735 CG ARG A 47 9.705 -0.246 -5.134 1.00 0.00 C ATOM 736 CD ARG A 47 8.267 -0.465 -4.659 1.00 0.00 C ATOM 737 NE ARG A 47 8.089 0.152 -3.314 1.00 0.00 N ATOM 738 CZ ARG A 47 7.061 0.919 -3.078 1.00 0.00 C ATOM 739 NH1 ARG A 47 5.949 0.744 -3.741 1.00 0.00 N ATOM 740 NH2 ARG A 47 7.143 1.863 -2.181 1.00 0.00 N ATOM 0 H ARG A 47 9.467 0.060 -9.120 1.00 0.00 H new ATOM 0 HA ARG A 47 8.182 1.186 -6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.188 -1.150 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.778 -0.414 -7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.358 -1.013 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.075 0.715 -4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.567 -0.024 -5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.046 -1.531 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 47 8.772 -0.026 -2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.885 0.007 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.145 1.344 -3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.011 2.001 -1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.339 2.463 -1.997 1.00 0.00 H new ATOM 754 N ALA A 48 11.090 2.378 -7.718 1.00 0.00 N ATOM 755 CA ALA A 48 12.054 3.501 -7.461 1.00 0.00 C ATOM 756 C ALA A 48 11.370 4.835 -7.718 1.00 0.00 C ATOM 757 O ALA A 48 11.670 5.841 -7.107 1.00 0.00 O ATOM 758 CB ALA A 48 13.288 3.379 -8.368 1.00 0.00 C ATOM 0 H ALA A 48 11.286 1.820 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 48 12.376 3.445 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.972 4.203 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.791 2.432 -8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.977 3.415 -9.412 1.00 0.00 H new ATOM 764 N ALA A 49 10.460 4.840 -8.619 1.00 0.00 N ATOM 765 CA ALA A 49 9.729 6.091 -8.948 1.00 0.00 C ATOM 766 C ALA A 49 8.803 6.458 -7.795 1.00 0.00 C ATOM 767 O ALA A 49 8.562 7.617 -7.520 1.00 0.00 O ATOM 768 CB ALA A 49 8.911 5.869 -10.221 1.00 0.00 C ATOM 0 H ALA A 49 10.177 4.022 -9.159 1.00 0.00 H new ATOM 0 HA ALA A 49 10.438 6.904 -9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.371 6.782 -10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.579 5.607 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.199 5.059 -10.060 1.00 0.00 H new ATOM 774 N THR A 50 8.277 5.479 -7.116 1.00 0.00 N ATOM 775 CA THR A 50 7.363 5.772 -5.982 1.00 0.00 C ATOM 776 C THR A 50 8.154 6.408 -4.837 1.00 0.00 C ATOM 777 O THR A 50 7.676 7.298 -4.164 1.00 0.00 O ATOM 778 CB THR A 50 6.723 4.470 -5.497 1.00 0.00 C ATOM 779 OG1 THR A 50 6.647 3.550 -6.578 1.00 0.00 O ATOM 780 CG2 THR A 50 5.317 4.756 -4.968 1.00 0.00 C ATOM 0 H THR A 50 8.441 4.489 -7.298 1.00 0.00 H new ATOM 0 HA THR A 50 6.585 6.461 -6.311 1.00 0.00 H new ATOM 0 HB THR A 50 7.329 4.043 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.239 2.715 -6.268 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.862 3.827 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.377 5.461 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.708 5.184 -5.765 1.00 0.00 H new ATOM 788 N VAL A 51 9.357 5.953 -4.601 1.00 0.00 N ATOM 789 CA VAL A 51 10.153 6.539 -3.484 1.00 0.00 C ATOM 790 C VAL A 51 10.600 7.956 -3.842 1.00 0.00 C ATOM 791 O VAL A 51 10.393 8.876 -3.079 1.00 0.00 O ATOM 792 CB VAL A 51 11.367 5.651 -3.166 1.00 0.00 C ATOM 793 CG1 VAL A 51 10.981 4.180 -3.299 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.520 5.945 -4.120 1.00 0.00 C ATOM 0 H VAL A 51 9.818 5.210 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 51 9.525 6.589 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 51 11.685 5.865 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.845 3.555 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.175 3.951 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.647 3.982 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.367 5.304 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.203 5.751 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.815 6.990 -4.023 1.00 0.00 H new ATOM 804 N LEU A 52 11.195 8.167 -4.987 1.00 0.00 N ATOM 805 CA LEU A 52 11.607 9.565 -5.320 1.00 0.00 C ATOM 806 C LEU A 52 10.358 10.440 -5.271 1.00 0.00 C ATOM 807 O LEU A 52 10.419 11.618 -4.978 1.00 0.00 O ATOM 808 CB LEU A 52 12.237 9.658 -6.719 1.00 0.00 C ATOM 809 CG LEU A 52 13.723 10.004 -6.587 1.00 0.00 C ATOM 810 CD1 LEU A 52 14.364 9.135 -5.503 1.00 0.00 C ATOM 811 CD2 LEU A 52 14.423 9.757 -7.924 1.00 0.00 C ATOM 0 H LEU A 52 11.409 7.457 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 52 12.357 9.895 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.118 8.712 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.726 10.419 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 52 13.826 11.053 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.421 9.386 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.866 9.316 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.262 8.084 -5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.481 10.003 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.317 8.708 -8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.971 10.384 -8.693 1.00 0.00 H new ATOM 823 N ARG A 53 9.222 9.864 -5.558 1.00 0.00 N ATOM 824 CA ARG A 53 7.959 10.647 -5.535 1.00 0.00 C ATOM 825 C ARG A 53 7.643 11.089 -4.105 1.00 0.00 C ATOM 826 O ARG A 53 7.369 12.245 -3.852 1.00 0.00 O ATOM 827 CB ARG A 53 6.816 9.776 -6.060 1.00 0.00 C ATOM 828 CG ARG A 53 5.482 10.486 -5.822 1.00 0.00 C ATOM 829 CD ARG A 53 4.791 9.875 -4.601 1.00 0.00 C ATOM 830 NE ARG A 53 3.591 10.685 -4.251 1.00 0.00 N ATOM 831 CZ ARG A 53 2.935 10.435 -3.150 1.00 0.00 C ATOM 832 NH1 ARG A 53 3.459 10.741 -1.995 1.00 0.00 N ATOM 833 NH2 ARG A 53 1.755 9.878 -3.204 1.00 0.00 N ATOM 0 H ARG A 53 9.117 8.881 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 53 8.073 11.529 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.952 9.582 -7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.820 8.809 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.648 11.552 -5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.844 10.389 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.499 8.846 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.481 9.844 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 53 3.282 11.434 -4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.381 11.175 -1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.947 10.546 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.345 9.638 -4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.243 9.683 -2.343 1.00 0.00 H new ATOM 847 N GLN A 54 7.664 10.178 -3.169 1.00 0.00 N ATOM 848 CA GLN A 54 7.347 10.561 -1.759 1.00 0.00 C ATOM 849 C GLN A 54 8.412 11.501 -1.201 1.00 0.00 C ATOM 850 O GLN A 54 8.162 12.297 -0.315 1.00 0.00 O ATOM 851 CB GLN A 54 7.261 9.303 -0.881 1.00 0.00 C ATOM 852 CG GLN A 54 8.503 8.436 -1.105 1.00 0.00 C ATOM 853 CD GLN A 54 8.486 7.259 -0.128 1.00 0.00 C ATOM 854 OE1 GLN A 54 9.405 7.083 0.646 1.00 0.00 O ATOM 855 NE2 GLN A 54 7.470 6.438 -0.132 1.00 0.00 N ATOM 0 H GLN A 54 7.885 9.193 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 54 6.387 11.077 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.186 9.584 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.361 8.738 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.524 8.070 -2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.405 9.030 -0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.698 6.585 -0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.449 5.650 0.515 1.00 0.00 H new ATOM 864 N PHE A 55 9.597 11.383 -1.687 1.00 0.00 N ATOM 865 CA PHE A 55 10.718 12.223 -1.182 1.00 0.00 C ATOM 866 C PHE A 55 10.501 13.708 -1.527 1.00 0.00 C ATOM 867 O PHE A 55 10.568 14.556 -0.661 1.00 0.00 O ATOM 868 CB PHE A 55 12.014 11.693 -1.814 1.00 0.00 C ATOM 869 CG PHE A 55 13.213 12.423 -1.275 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.294 12.714 0.087 1.00 0.00 C ATOM 871 CD2 PHE A 55 14.250 12.801 -2.139 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.411 13.386 0.594 1.00 0.00 C ATOM 873 CE2 PHE A 55 15.367 13.474 -1.634 1.00 0.00 C ATOM 874 CZ PHE A 55 15.447 13.766 -0.268 1.00 0.00 C ATOM 0 H PHE A 55 9.852 10.730 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 55 10.774 12.161 -0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.112 10.626 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.969 11.809 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.494 12.420 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 55 14.186 12.573 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.474 13.611 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 55 16.167 13.768 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.310 14.286 0.122 1.00 0.00 H new ATOM 884 N TYR A 56 10.247 14.045 -2.766 1.00 0.00 N ATOM 885 CA TYR A 56 10.041 15.464 -3.117 1.00 0.00 C ATOM 886 C TYR A 56 8.672 15.986 -2.602 1.00 0.00 C ATOM 887 O TYR A 56 8.564 17.135 -2.224 1.00 0.00 O ATOM 888 CB TYR A 56 10.141 15.593 -4.655 1.00 0.00 C ATOM 889 CG TYR A 56 8.849 15.198 -5.337 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.727 16.024 -5.217 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.777 14.031 -6.110 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.532 15.687 -5.858 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.577 13.696 -6.750 1.00 0.00 C ATOM 894 CZ TYR A 56 6.455 14.522 -6.623 1.00 0.00 C ATOM 895 OH TYR A 56 5.275 14.187 -7.256 1.00 0.00 O ATOM 0 H TYR A 56 10.175 13.390 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 56 10.805 16.075 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.392 16.621 -4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.952 14.964 -5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.784 16.926 -4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.643 13.393 -6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.668 16.328 -5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.518 12.796 -7.344 1.00 0.00 H new ATOM 0 HH TYR A 56 5.352 13.287 -7.637 1.00 0.00 H new ATOM 905 N SER A 57 7.610 15.185 -2.620 1.00 0.00 N ATOM 906 CA SER A 57 6.277 15.705 -2.176 1.00 0.00 C ATOM 907 C SER A 57 6.200 15.944 -0.660 1.00 0.00 C ATOM 908 O SER A 57 5.627 16.918 -0.213 1.00 0.00 O ATOM 909 CB SER A 57 5.198 14.697 -2.572 1.00 0.00 C ATOM 910 OG SER A 57 5.539 14.102 -3.817 1.00 0.00 O ATOM 0 H SER A 57 7.619 14.210 -2.920 1.00 0.00 H new ATOM 0 HA SER A 57 6.126 16.668 -2.664 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.103 13.929 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.231 15.194 -2.647 1.00 0.00 H new ATOM 0 HG SER A 57 5.439 14.763 -4.534 1.00 0.00 H new ATOM 916 N HIS A 58 6.720 15.055 0.138 1.00 0.00 N ATOM 917 CA HIS A 58 6.613 15.233 1.618 1.00 0.00 C ATOM 918 C HIS A 58 7.483 16.392 2.101 1.00 0.00 C ATOM 919 O HIS A 58 7.046 17.242 2.853 1.00 0.00 O ATOM 920 CB HIS A 58 7.061 13.945 2.311 1.00 0.00 C ATOM 921 CG HIS A 58 6.157 13.662 3.478 1.00 0.00 C ATOM 922 ND1 HIS A 58 6.598 13.741 4.790 1.00 0.00 N ATOM 923 CD2 HIS A 58 4.835 13.298 3.549 1.00 0.00 C ATOM 924 CE1 HIS A 58 5.558 13.431 5.586 1.00 0.00 C ATOM 925 NE2 HIS A 58 4.460 13.153 4.881 1.00 0.00 N ATOM 0 H HIS A 58 7.213 14.215 -0.166 1.00 0.00 H new ATOM 0 HA HIS A 58 5.575 15.458 1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.035 13.113 1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.092 14.042 2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.185 13.147 2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.606 13.410 6.665 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.543 12.890 5.241 1.00 0.00 H new ATOM 933 N HIS A 59 8.718 16.418 1.703 1.00 0.00 N ATOM 934 CA HIS A 59 9.632 17.511 2.173 1.00 0.00 C ATOM 935 C HIS A 59 9.256 18.858 1.553 1.00 0.00 C ATOM 936 O HIS A 59 9.515 19.885 2.144 1.00 0.00 O ATOM 937 CB HIS A 59 11.097 17.182 1.859 1.00 0.00 C ATOM 938 CG HIS A 59 11.483 15.944 2.619 1.00 0.00 C ATOM 939 ND1 HIS A 59 11.307 15.838 3.991 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.026 14.753 2.219 1.00 0.00 C ATOM 941 CE1 HIS A 59 11.739 14.619 4.361 1.00 0.00 C ATOM 942 NE2 HIS A 59 12.188 13.915 3.319 1.00 0.00 N ATOM 0 H HIS A 59 9.142 15.736 1.074 1.00 0.00 H new ATOM 0 HA HIS A 59 9.515 17.584 3.254 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.229 17.025 0.788 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.741 18.015 2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.289 14.501 1.202 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.724 14.254 5.377 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.568 12.968 3.327 1.00 0.00 H new ATOM 950 N GLU A 60 8.670 18.865 0.374 1.00 0.00 N ATOM 951 CA GLU A 60 8.284 20.159 -0.291 1.00 0.00 C ATOM 952 C GLU A 60 8.034 21.241 0.764 1.00 0.00 C ATOM 953 O GLU A 60 8.470 22.369 0.632 1.00 0.00 O ATOM 954 CB GLU A 60 7.005 19.953 -1.102 1.00 0.00 C ATOM 955 CG GLU A 60 7.354 19.386 -2.478 1.00 0.00 C ATOM 956 CD GLU A 60 6.760 20.280 -3.567 1.00 0.00 C ATOM 957 OE1 GLU A 60 6.627 21.467 -3.323 1.00 0.00 O ATOM 958 OE2 GLU A 60 6.447 19.762 -4.626 1.00 0.00 O ATOM 0 H GLU A 60 8.441 18.026 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 60 9.096 20.474 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.335 19.272 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.476 20.900 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.436 19.325 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.966 18.372 -2.574 1.00 0.00 H new ATOM 965 N LYS A 61 7.351 20.896 1.821 1.00 0.00 N ATOM 966 CA LYS A 61 7.086 21.885 2.902 1.00 0.00 C ATOM 967 C LYS A 61 7.276 21.196 4.257 1.00 0.00 C ATOM 968 O LYS A 61 6.417 20.470 4.715 1.00 0.00 O ATOM 969 CB LYS A 61 5.648 22.398 2.787 1.00 0.00 C ATOM 970 CG LYS A 61 5.397 22.904 1.364 1.00 0.00 C ATOM 971 CD LYS A 61 4.695 24.262 1.423 1.00 0.00 C ATOM 972 CE LYS A 61 5.659 25.311 1.981 1.00 0.00 C ATOM 973 NZ LYS A 61 4.892 26.519 2.398 1.00 0.00 N ATOM 0 H LYS A 61 6.963 19.966 1.982 1.00 0.00 H new ATOM 0 HA LYS A 61 7.774 22.726 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.946 21.600 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.479 23.201 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.341 22.993 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.784 22.189 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.360 24.554 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.807 24.197 2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.205 24.903 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.398 25.579 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.547 27.232 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.390 26.912 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.203 26.257 3.132 1.00 0.00 H new ATOM 987 N ASP A 62 8.393 21.411 4.906 1.00 0.00 N ATOM 988 CA ASP A 62 8.616 20.755 6.224 1.00 0.00 C ATOM 989 C ASP A 62 9.902 21.284 6.845 1.00 0.00 C ATOM 990 O ASP A 62 10.560 20.616 7.618 1.00 0.00 O ATOM 991 CB ASP A 62 8.721 19.242 6.034 1.00 0.00 C ATOM 992 CG ASP A 62 8.120 18.530 7.248 1.00 0.00 C ATOM 993 OD1 ASP A 62 7.424 19.183 8.008 1.00 0.00 O ATOM 994 OD2 ASP A 62 8.366 17.344 7.396 1.00 0.00 O ATOM 0 H ASP A 62 9.153 22.008 4.581 1.00 0.00 H new ATOM 0 HA ASP A 62 7.778 20.977 6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.196 18.942 5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.764 18.952 5.909 1.00 0.00 H new ATOM 999 N THR A 63 10.262 22.483 6.507 1.00 0.00 N ATOM 1000 CA THR A 63 11.509 23.081 7.066 1.00 0.00 C ATOM 1001 C THR A 63 12.624 22.035 7.027 1.00 0.00 C ATOM 1002 O THR A 63 13.539 22.052 7.825 1.00 0.00 O ATOM 1003 CB THR A 63 11.265 23.517 8.513 1.00 0.00 C ATOM 1004 OG1 THR A 63 10.256 24.518 8.541 1.00 0.00 O ATOM 1005 CG2 THR A 63 12.560 24.079 9.104 1.00 0.00 C ATOM 0 H THR A 63 9.746 23.083 5.863 1.00 0.00 H new ATOM 0 HA THR A 63 11.798 23.950 6.474 1.00 0.00 H new ATOM 0 HB THR A 63 10.942 22.658 9.102 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.097 24.797 9.467 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.385 24.389 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.333 23.311 9.082 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.885 24.938 8.517 1.00 0.00 H new ATOM 1013 N ARG A 64 12.543 21.124 6.100 1.00 0.00 N ATOM 1014 CA ARG A 64 13.590 20.063 5.999 1.00 0.00 C ATOM 1015 C ARG A 64 14.844 20.620 5.314 1.00 0.00 C ATOM 1016 O ARG A 64 15.831 20.920 5.958 1.00 0.00 O ATOM 1017 CB ARG A 64 13.048 18.888 5.181 1.00 0.00 C ATOM 1018 CG ARG A 64 13.123 17.608 6.015 1.00 0.00 C ATOM 1019 CD ARG A 64 14.553 17.065 5.994 1.00 0.00 C ATOM 1020 NE ARG A 64 14.536 15.617 6.345 1.00 0.00 N ATOM 1021 CZ ARG A 64 13.770 15.189 7.311 1.00 0.00 C ATOM 1022 NH1 ARG A 64 13.635 15.899 8.397 1.00 0.00 N ATOM 1023 NH2 ARG A 64 13.140 14.054 7.190 1.00 0.00 N ATOM 0 H ARG A 64 11.798 21.065 5.406 1.00 0.00 H new ATOM 0 HA ARG A 64 13.851 19.727 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.017 19.082 4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.626 18.772 4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.816 17.812 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.434 16.862 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.993 17.206 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.173 17.615 6.702 1.00 0.00 H new ATOM 0 HE ARG A 64 15.123 14.960 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.128 16.787 8.490 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.037 15.566 9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.246 13.500 6.340 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.541 13.720 7.945 1.00 0.00 H new ATOM 1037 N CYS A 65 14.821 20.746 4.013 1.00 0.00 N ATOM 1038 CA CYS A 65 16.018 21.264 3.287 1.00 0.00 C ATOM 1039 C CYS A 65 16.090 22.792 3.394 1.00 0.00 C ATOM 1040 O CYS A 65 16.873 23.428 2.717 1.00 0.00 O ATOM 1041 CB CYS A 65 15.928 20.864 1.812 1.00 0.00 C ATOM 1042 SG CYS A 65 15.206 19.210 1.673 1.00 0.00 S ATOM 0 H CYS A 65 14.024 20.512 3.421 1.00 0.00 H new ATOM 0 HA CYS A 65 16.915 20.836 3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.319 21.584 1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 65 16.920 20.878 1.360 1.00 0.00 H new ATOM 1047 N LEU A 66 15.292 23.388 4.237 1.00 0.00 N ATOM 1048 CA LEU A 66 15.337 24.871 4.376 1.00 0.00 C ATOM 1049 C LEU A 66 16.328 25.239 5.481 1.00 0.00 C ATOM 1050 O LEU A 66 16.066 25.044 6.651 1.00 0.00 O ATOM 1051 CB LEU A 66 13.944 25.394 4.740 1.00 0.00 C ATOM 1052 CG LEU A 66 12.927 24.897 3.709 1.00 0.00 C ATOM 1053 CD1 LEU A 66 12.542 23.453 4.032 1.00 0.00 C ATOM 1054 CD2 LEU A 66 11.677 25.779 3.757 1.00 0.00 C ATOM 0 H LEU A 66 14.613 22.914 4.833 1.00 0.00 H new ATOM 0 HA LEU A 66 15.654 25.320 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.664 25.052 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.948 26.484 4.766 1.00 0.00 H new ATOM 0 HG LEU A 66 13.367 24.944 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.818 23.097 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.431 22.823 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.102 23.408 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.953 25.425 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.236 25.732 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.950 26.809 3.530 1.00 0.00 H new ATOM 1066 N GLY A 67 17.473 25.759 5.123 1.00 0.00 N ATOM 1067 CA GLY A 67 18.478 26.120 6.163 1.00 0.00 C ATOM 1068 C GLY A 67 18.014 27.373 6.920 1.00 0.00 C ATOM 1069 O GLY A 67 17.681 27.311 8.088 1.00 0.00 O ATOM 0 H GLY A 67 17.754 25.948 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.609 25.291 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.447 26.302 5.698 1.00 0.00 H new ATOM 1073 N ALA A 68 17.989 28.515 6.273 1.00 0.00 N ATOM 1074 CA ALA A 68 17.548 29.755 6.971 1.00 0.00 C ATOM 1075 C ALA A 68 17.736 30.949 6.034 1.00 0.00 C ATOM 1076 O ALA A 68 18.626 31.757 6.211 1.00 0.00 O ATOM 1077 CB ALA A 68 18.388 29.957 8.233 1.00 0.00 C ATOM 0 H ALA A 68 18.255 28.637 5.296 1.00 0.00 H new ATOM 0 HA ALA A 68 16.498 29.668 7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.065 30.864 8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 68 18.259 29.102 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.439 30.049 7.960 1.00 0.00 H new ATOM 1083 N THR A 69 16.911 31.057 5.032 1.00 0.00 N ATOM 1084 CA THR A 69 17.043 32.186 4.071 1.00 0.00 C ATOM 1085 C THR A 69 16.159 31.911 2.854 1.00 0.00 C ATOM 1086 O THR A 69 16.173 30.820 2.323 1.00 0.00 O ATOM 1087 CB THR A 69 18.502 32.294 3.617 1.00 0.00 C ATOM 1088 OG1 THR A 69 19.179 31.082 3.914 1.00 0.00 O ATOM 1089 CG2 THR A 69 19.181 33.453 4.347 1.00 0.00 C ATOM 0 H THR A 69 16.148 30.409 4.836 1.00 0.00 H new ATOM 0 HA THR A 69 16.737 33.116 4.550 1.00 0.00 H new ATOM 0 HB THR A 69 18.536 32.476 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 69 19.701 31.192 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.219 33.529 4.023 1.00 0.00 H new ATOM 0 HG22 THR A 69 18.660 34.383 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.148 33.275 5.422 1.00 0.00 H new ATOM 1097 N ALA A 70 15.403 32.875 2.375 1.00 0.00 N ATOM 1098 CA ALA A 70 14.572 32.607 1.178 1.00 0.00 C ATOM 1099 C ALA A 70 15.468 31.940 0.140 1.00 0.00 C ATOM 1100 O ALA A 70 15.020 31.178 -0.693 1.00 0.00 O ATOM 1101 CB ALA A 70 14.021 33.921 0.621 1.00 0.00 C ATOM 0 H ALA A 70 15.333 33.817 2.761 1.00 0.00 H new ATOM 0 HA ALA A 70 13.730 31.963 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.411 33.716 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.410 34.410 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.848 34.574 0.345 1.00 0.00 H new ATOM 1107 N GLN A 71 16.745 32.221 0.195 1.00 0.00 N ATOM 1108 CA GLN A 71 17.685 31.599 -0.781 1.00 0.00 C ATOM 1109 C GLN A 71 17.739 30.091 -0.530 1.00 0.00 C ATOM 1110 O GLN A 71 17.593 29.294 -1.435 1.00 0.00 O ATOM 1111 CB GLN A 71 19.082 32.199 -0.602 1.00 0.00 C ATOM 1112 CG GLN A 71 19.914 31.929 -1.857 1.00 0.00 C ATOM 1113 CD GLN A 71 19.473 32.875 -2.975 1.00 0.00 C ATOM 1114 OE1 GLN A 71 19.883 34.019 -3.017 1.00 0.00 O ATOM 1115 NE2 GLN A 71 18.648 32.444 -3.890 1.00 0.00 N ATOM 0 H GLN A 71 17.175 32.852 0.871 1.00 0.00 H new ATOM 0 HA GLN A 71 17.340 31.791 -1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 71 19.009 33.272 -0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.568 31.763 0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 71 20.973 32.072 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.790 30.893 -2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.304 31.484 -3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.347 33.067 -4.640 1.00 0.00 H new ATOM 1124 N GLN A 72 17.941 29.693 0.697 1.00 0.00 N ATOM 1125 CA GLN A 72 17.996 28.237 1.015 1.00 0.00 C ATOM 1126 C GLN A 72 16.662 27.591 0.636 1.00 0.00 C ATOM 1127 O GLN A 72 16.600 26.433 0.270 1.00 0.00 O ATOM 1128 CB GLN A 72 18.246 28.058 2.517 1.00 0.00 C ATOM 1129 CG GLN A 72 19.557 28.751 2.896 1.00 0.00 C ATOM 1130 CD GLN A 72 20.730 27.807 2.625 1.00 0.00 C ATOM 1131 OE1 GLN A 72 20.845 26.769 3.244 1.00 0.00 O ATOM 1132 NE2 GLN A 72 21.612 28.128 1.718 1.00 0.00 N ATOM 0 H GLN A 72 18.071 30.315 1.495 1.00 0.00 H new ATOM 0 HA GLN A 72 18.802 27.764 0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 72 17.419 28.480 3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.296 26.998 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.675 29.669 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 72 19.540 29.034 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 72 21.515 29.000 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.398 27.507 1.529 1.00 0.00 H new ATOM 1141 N PHE A 73 15.593 28.332 0.730 1.00 0.00 N ATOM 1142 CA PHE A 73 14.254 27.772 0.387 1.00 0.00 C ATOM 1143 C PHE A 73 14.147 27.521 -1.122 1.00 0.00 C ATOM 1144 O PHE A 73 13.598 26.527 -1.550 1.00 0.00 O ATOM 1145 CB PHE A 73 13.169 28.763 0.810 1.00 0.00 C ATOM 1146 CG PHE A 73 11.812 28.118 0.655 1.00 0.00 C ATOM 1147 CD1 PHE A 73 11.614 26.795 1.068 1.00 0.00 C ATOM 1148 CD2 PHE A 73 10.751 28.843 0.098 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.357 26.197 0.924 1.00 0.00 C ATOM 1150 CE2 PHE A 73 9.495 28.245 -0.047 1.00 0.00 C ATOM 1151 CZ PHE A 73 9.296 26.922 0.367 1.00 0.00 C ATOM 0 H PHE A 73 15.589 29.307 1.031 1.00 0.00 H new ATOM 0 HA PHE A 73 14.124 26.826 0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.323 29.068 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 73 13.227 29.665 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.432 26.236 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.903 29.864 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.205 25.176 1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.678 28.804 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.325 26.461 0.257 1.00 0.00 H new ATOM 1161 N HIS A 74 14.643 28.415 -1.935 1.00 0.00 N ATOM 1162 CA HIS A 74 14.540 28.219 -3.410 1.00 0.00 C ATOM 1163 C HIS A 74 15.281 26.965 -3.829 1.00 0.00 C ATOM 1164 O HIS A 74 14.865 26.238 -4.705 1.00 0.00 O ATOM 1165 CB HIS A 74 15.132 29.430 -4.127 1.00 0.00 C ATOM 1166 CG HIS A 74 14.170 29.915 -5.177 1.00 0.00 C ATOM 1167 ND1 HIS A 74 13.412 29.045 -5.943 1.00 0.00 N ATOM 1168 CD2 HIS A 74 13.830 31.177 -5.595 1.00 0.00 C ATOM 1169 CE1 HIS A 74 12.660 29.788 -6.777 1.00 0.00 C ATOM 1170 NE2 HIS A 74 12.877 31.095 -6.606 1.00 0.00 N ATOM 0 H HIS A 74 15.114 29.271 -1.642 1.00 0.00 H new ATOM 0 HA HIS A 74 13.489 28.111 -3.680 1.00 0.00 H new ATOM 0 HB2 HIS A 74 15.336 30.226 -3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.084 29.164 -4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.240 32.095 -5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.966 29.378 -7.496 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.439 31.867 -7.108 1.00 0.00 H new ATOM 1178 N ARG A 75 16.365 26.714 -3.196 1.00 0.00 N ATOM 1179 CA ARG A 75 17.163 25.497 -3.519 1.00 0.00 C ATOM 1180 C ARG A 75 16.387 24.273 -3.041 1.00 0.00 C ATOM 1181 O ARG A 75 16.280 23.279 -3.730 1.00 0.00 O ATOM 1182 CB ARG A 75 18.518 25.565 -2.811 1.00 0.00 C ATOM 1183 CG ARG A 75 19.160 26.932 -3.065 1.00 0.00 C ATOM 1184 CD ARG A 75 20.289 27.162 -2.057 1.00 0.00 C ATOM 1185 NE ARG A 75 21.605 26.962 -2.731 1.00 0.00 N ATOM 1186 CZ ARG A 75 22.444 27.957 -2.832 1.00 0.00 C ATOM 1187 NH1 ARG A 75 22.028 29.124 -3.242 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.700 27.785 -2.521 1.00 0.00 N ATOM 0 H ARG A 75 16.751 27.299 -2.455 1.00 0.00 H new ATOM 0 HA ARG A 75 17.334 25.433 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 75 18.389 25.405 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.171 24.772 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.551 26.979 -4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 75 18.412 27.719 -2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.227 28.171 -1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.189 26.472 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 75 21.849 26.048 -3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.046 29.259 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 75 22.684 29.901 -3.321 1.00 0.00 H new ATOM 0 HH21 ARG A 75 24.026 26.873 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.356 28.562 -2.600 1.00 0.00 H new ATOM 1202 N HIS A 76 15.831 24.351 -1.865 1.00 0.00 N ATOM 1203 CA HIS A 76 15.038 23.212 -1.331 1.00 0.00 C ATOM 1204 C HIS A 76 13.978 22.824 -2.364 1.00 0.00 C ATOM 1205 O HIS A 76 13.832 21.673 -2.719 1.00 0.00 O ATOM 1206 CB HIS A 76 14.347 23.675 -0.045 1.00 0.00 C ATOM 1207 CG HIS A 76 13.200 22.778 0.301 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.119 21.456 -0.102 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.079 23.021 1.030 1.00 0.00 C ATOM 1210 CE1 HIS A 76 11.969 20.956 0.391 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.295 21.873 1.091 1.00 0.00 N ATOM 0 H HIS A 76 15.893 25.161 -1.248 1.00 0.00 H new ATOM 0 HA HIS A 76 15.680 22.355 -1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.065 23.685 0.775 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.989 24.697 -0.168 1.00 0.00 H new ATOM 0 HD1 HIS A 76 13.803 20.954 -0.667 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.833 23.965 1.493 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.634 19.941 0.239 1.00 0.00 H new ATOM 1219 N LYS A 77 13.235 23.786 -2.834 1.00 0.00 N ATOM 1220 CA LYS A 77 12.178 23.537 -3.822 1.00 0.00 C ATOM 1221 C LYS A 77 12.761 23.181 -5.197 1.00 0.00 C ATOM 1222 O LYS A 77 12.130 22.520 -5.991 1.00 0.00 O ATOM 1223 CB LYS A 77 11.390 24.828 -3.924 1.00 0.00 C ATOM 1224 CG LYS A 77 10.004 24.623 -3.324 1.00 0.00 C ATOM 1225 CD LYS A 77 9.152 25.871 -3.560 1.00 0.00 C ATOM 1226 CE LYS A 77 8.350 25.706 -4.852 1.00 0.00 C ATOM 1227 NZ LYS A 77 6.956 26.189 -4.638 1.00 0.00 N ATOM 0 H LYS A 77 13.329 24.763 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 77 11.559 22.695 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.911 25.628 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.305 25.134 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.526 23.754 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.085 24.423 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.477 26.028 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.790 26.752 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.821 26.268 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.341 24.659 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.411 26.077 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.509 25.635 -3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.974 27.193 -4.368 1.00 0.00 H new ATOM 1241 N GLN A 78 13.933 23.661 -5.508 1.00 0.00 N ATOM 1242 CA GLN A 78 14.524 23.403 -6.856 1.00 0.00 C ATOM 1243 C GLN A 78 14.839 21.919 -7.085 1.00 0.00 C ATOM 1244 O GLN A 78 14.486 21.363 -8.104 1.00 0.00 O ATOM 1245 CB GLN A 78 15.812 24.216 -6.997 1.00 0.00 C ATOM 1246 CG GLN A 78 16.497 23.859 -8.317 1.00 0.00 C ATOM 1247 CD GLN A 78 16.933 25.142 -9.029 1.00 0.00 C ATOM 1248 OE1 GLN A 78 16.165 25.738 -9.756 1.00 0.00 O ATOM 1249 NE2 GLN A 78 18.144 25.594 -8.848 1.00 0.00 N ATOM 0 H GLN A 78 14.512 24.224 -4.885 1.00 0.00 H new ATOM 0 HA GLN A 78 13.787 23.700 -7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.587 25.282 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.479 24.008 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.362 23.222 -8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.815 23.292 -8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.789 25.093 -8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.445 26.448 -9.317 1.00 0.00 H new ATOM 1258 N LEU A 79 15.526 21.274 -6.182 1.00 0.00 N ATOM 1259 CA LEU A 79 15.872 19.841 -6.416 1.00 0.00 C ATOM 1260 C LEU A 79 14.638 18.964 -6.303 1.00 0.00 C ATOM 1261 O LEU A 79 14.434 18.096 -7.111 1.00 0.00 O ATOM 1262 CB LEU A 79 16.980 19.374 -5.455 1.00 0.00 C ATOM 1263 CG LEU A 79 16.481 19.342 -4.007 1.00 0.00 C ATOM 1264 CD1 LEU A 79 17.342 18.374 -3.195 1.00 0.00 C ATOM 1265 CD2 LEU A 79 16.588 20.742 -3.401 1.00 0.00 C ATOM 0 H LEU A 79 15.860 21.670 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 79 16.257 19.747 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.323 18.381 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 79 17.837 20.043 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 79 15.442 19.013 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.989 18.350 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.272 17.375 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.380 18.706 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 79 16.233 20.721 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.628 21.068 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.979 21.437 -3.980 1.00 0.00 H new ATOM 1277 N ILE A 80 13.812 19.177 -5.325 1.00 0.00 N ATOM 1278 CA ILE A 80 12.581 18.340 -5.209 1.00 0.00 C ATOM 1279 C ILE A 80 11.696 18.596 -6.423 1.00 0.00 C ATOM 1280 O ILE A 80 11.072 17.710 -6.959 1.00 0.00 O ATOM 1281 CB ILE A 80 11.801 18.742 -3.967 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.663 20.266 -3.899 1.00 0.00 C ATOM 1283 CG2 ILE A 80 12.523 18.223 -2.719 1.00 0.00 C ATOM 1284 CD1 ILE A 80 11.155 20.664 -2.511 1.00 0.00 C ATOM 0 H ILE A 80 13.929 19.888 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 80 12.866 17.290 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 80 10.804 18.305 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.625 20.739 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.972 20.615 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.964 18.511 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.595 17.136 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.524 18.652 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.055 21.748 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.185 20.201 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.863 20.327 -1.754 1.00 0.00 H new ATOM 1296 N ARG A 81 11.640 19.817 -6.842 1.00 0.00 N ATOM 1297 CA ARG A 81 10.805 20.169 -8.028 1.00 0.00 C ATOM 1298 C ARG A 81 11.312 19.359 -9.211 1.00 0.00 C ATOM 1299 O ARG A 81 10.565 18.673 -9.879 1.00 0.00 O ATOM 1300 CB ARG A 81 10.959 21.656 -8.339 1.00 0.00 C ATOM 1301 CG ARG A 81 10.026 22.038 -9.491 1.00 0.00 C ATOM 1302 CD ARG A 81 9.479 23.446 -9.256 1.00 0.00 C ATOM 1303 NE ARG A 81 8.866 23.959 -10.514 1.00 0.00 N ATOM 1304 CZ ARG A 81 8.258 25.113 -10.520 1.00 0.00 C ATOM 1305 NH1 ARG A 81 7.870 25.652 -9.396 1.00 0.00 N ATOM 1306 NH2 ARG A 81 8.040 25.730 -11.649 1.00 0.00 N ATOM 0 H ARG A 81 12.137 20.599 -6.417 1.00 0.00 H new ATOM 0 HA ARG A 81 9.755 19.952 -7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.724 22.249 -7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.992 21.877 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.564 21.998 -10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.205 21.324 -9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.737 23.431 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.281 24.110 -8.933 1.00 0.00 H new ATOM 0 HE ARG A 81 8.922 23.408 -11.370 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.042 25.171 -8.513 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.395 26.554 -9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.345 25.310 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.565 26.632 -11.653 1.00 0.00 H new ATOM 1320 N PHE A 82 12.591 19.407 -9.446 1.00 0.00 N ATOM 1321 CA PHE A 82 13.173 18.618 -10.540 1.00 0.00 C ATOM 1322 C PHE A 82 12.969 17.147 -10.184 1.00 0.00 C ATOM 1323 O PHE A 82 12.808 16.303 -11.043 1.00 0.00 O ATOM 1324 CB PHE A 82 14.654 18.973 -10.646 1.00 0.00 C ATOM 1325 CG PHE A 82 14.821 20.161 -11.565 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.192 21.374 -11.261 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.602 20.046 -12.721 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.347 22.474 -12.113 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.755 21.146 -13.573 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.127 22.360 -13.269 1.00 0.00 C ATOM 0 H PHE A 82 13.258 19.968 -8.916 1.00 0.00 H new ATOM 0 HA PHE A 82 12.706 18.823 -11.503 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.056 19.203 -9.659 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.217 18.122 -11.028 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.588 21.461 -10.370 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.086 19.109 -12.955 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.864 23.411 -11.878 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.358 21.058 -14.465 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.245 23.208 -13.927 1.00 0.00 H new ATOM 1340 N LEU A 83 12.935 16.842 -8.907 1.00 0.00 N ATOM 1341 CA LEU A 83 12.696 15.444 -8.478 1.00 0.00 C ATOM 1342 C LEU A 83 11.291 15.049 -8.912 1.00 0.00 C ATOM 1343 O LEU A 83 11.001 13.903 -9.194 1.00 0.00 O ATOM 1344 CB LEU A 83 12.822 15.395 -6.956 1.00 0.00 C ATOM 1345 CG LEU A 83 14.284 15.184 -6.577 1.00 0.00 C ATOM 1346 CD1 LEU A 83 14.386 14.922 -5.072 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.853 13.979 -7.329 1.00 0.00 C ATOM 0 H LEU A 83 13.064 17.511 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 83 13.414 14.755 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.451 16.322 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 83 12.210 14.587 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 83 14.850 16.077 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.430 14.771 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.988 15.777 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.812 14.031 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.897 13.837 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.284 13.086 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.784 14.154 -8.403 1.00 0.00 H new ATOM 1359 N LYS A 84 10.431 16.014 -8.979 1.00 0.00 N ATOM 1360 CA LYS A 84 9.030 15.766 -9.410 1.00 0.00 C ATOM 1361 C LYS A 84 9.031 15.444 -10.898 1.00 0.00 C ATOM 1362 O LYS A 84 8.472 14.457 -11.326 1.00 0.00 O ATOM 1363 CB LYS A 84 8.181 17.013 -9.153 1.00 0.00 C ATOM 1364 CG LYS A 84 6.759 16.779 -9.665 1.00 0.00 C ATOM 1365 CD LYS A 84 6.068 18.127 -9.885 1.00 0.00 C ATOM 1366 CE LYS A 84 6.531 18.730 -11.214 1.00 0.00 C ATOM 1367 NZ LYS A 84 5.624 19.848 -11.594 1.00 0.00 N ATOM 0 H LYS A 84 10.640 16.986 -8.749 1.00 0.00 H new ATOM 0 HA LYS A 84 8.610 14.932 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.162 17.239 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.622 17.875 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.785 16.215 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.196 16.182 -8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.986 17.996 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.302 18.806 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.555 19.093 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.530 17.967 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.938 20.258 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.654 19.488 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.646 20.580 -10.855 1.00 0.00 H new ATOM 1381 N ARG A 85 9.675 16.251 -11.699 1.00 0.00 N ATOM 1382 CA ARG A 85 9.715 15.940 -13.149 1.00 0.00 C ATOM 1383 C ARG A 85 10.167 14.497 -13.286 1.00 0.00 C ATOM 1384 O ARG A 85 9.758 13.770 -14.170 1.00 0.00 O ATOM 1385 CB ARG A 85 10.705 16.867 -13.857 1.00 0.00 C ATOM 1386 CG ARG A 85 10.238 18.317 -13.710 1.00 0.00 C ATOM 1387 CD ARG A 85 11.333 19.259 -14.211 1.00 0.00 C ATOM 1388 NE ARG A 85 10.713 20.514 -14.722 1.00 0.00 N ATOM 1389 CZ ARG A 85 11.356 21.646 -14.626 1.00 0.00 C ATOM 1390 NH1 ARG A 85 11.776 22.060 -13.462 1.00 0.00 N ATOM 1391 NH2 ARG A 85 11.579 22.362 -15.695 1.00 0.00 N ATOM 0 H ARG A 85 10.167 17.098 -11.414 1.00 0.00 H new ATOM 0 HA ARG A 85 8.734 16.084 -13.602 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.701 16.749 -13.429 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.778 16.602 -14.912 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.321 18.474 -14.278 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.008 18.532 -12.666 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.029 19.487 -13.404 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.909 18.777 -15.001 1.00 0.00 H new ATOM 0 HE ARG A 85 9.786 20.489 -15.147 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.602 21.499 -12.628 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.279 22.944 -13.386 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.251 22.037 -16.604 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.081 23.247 -15.621 1.00 0.00 H new ATOM 1405 N LEU A 86 11.004 14.087 -12.386 1.00 0.00 N ATOM 1406 CA LEU A 86 11.509 12.690 -12.394 1.00 0.00 C ATOM 1407 C LEU A 86 10.381 11.727 -12.001 1.00 0.00 C ATOM 1408 O LEU A 86 10.254 10.660 -12.556 1.00 0.00 O ATOM 1409 CB LEU A 86 12.664 12.560 -11.395 1.00 0.00 C ATOM 1410 CG LEU A 86 13.316 11.181 -11.525 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.532 10.848 -13.003 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.668 11.188 -10.805 1.00 0.00 C ATOM 0 H LEU A 86 11.368 14.669 -11.631 1.00 0.00 H new ATOM 0 HA LEU A 86 11.861 12.440 -13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.403 13.340 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.295 12.703 -10.379 1.00 0.00 H new ATOM 0 HG LEU A 86 12.664 10.431 -11.077 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.996 9.866 -13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.572 10.843 -13.519 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.182 11.598 -13.454 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.134 10.207 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.316 11.941 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.518 11.422 -9.751 1.00 0.00 H new ATOM 1424 N ASP A 87 9.568 12.080 -11.033 1.00 0.00 N ATOM 1425 CA ASP A 87 8.473 11.160 -10.617 1.00 0.00 C ATOM 1426 C ASP A 87 7.451 10.968 -11.748 1.00 0.00 C ATOM 1427 O ASP A 87 7.035 9.865 -12.039 1.00 0.00 O ATOM 1428 CB ASP A 87 7.766 11.745 -9.398 1.00 0.00 C ATOM 1429 CG ASP A 87 6.563 10.870 -9.038 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.593 9.694 -9.361 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.634 11.391 -8.446 1.00 0.00 O ATOM 0 H ASP A 87 9.618 12.960 -10.519 1.00 0.00 H new ATOM 0 HA ASP A 87 8.909 10.190 -10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.455 11.799 -8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.439 12.763 -9.608 1.00 0.00 H new ATOM 1436 N ARG A 88 7.022 12.034 -12.365 1.00 0.00 N ATOM 1437 CA ARG A 88 6.002 11.919 -13.452 1.00 0.00 C ATOM 1438 C ARG A 88 6.579 11.199 -14.678 1.00 0.00 C ATOM 1439 O ARG A 88 5.972 10.295 -15.218 1.00 0.00 O ATOM 1440 CB ARG A 88 5.551 13.322 -13.862 1.00 0.00 C ATOM 1441 CG ARG A 88 4.245 13.228 -14.654 1.00 0.00 C ATOM 1442 CD ARG A 88 3.066 13.544 -13.734 1.00 0.00 C ATOM 1443 NE ARG A 88 1.803 13.068 -14.365 1.00 0.00 N ATOM 1444 CZ ARG A 88 1.015 12.255 -13.715 1.00 0.00 C ATOM 1445 NH1 ARG A 88 1.433 11.063 -13.388 1.00 0.00 N ATOM 1446 NH2 ARG A 88 -0.192 12.633 -13.393 1.00 0.00 N ATOM 0 H ARG A 88 7.333 12.984 -12.164 1.00 0.00 H new ATOM 0 HA ARG A 88 5.159 11.339 -13.077 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.408 13.943 -12.977 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.321 13.801 -14.466 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.264 13.926 -15.491 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.134 12.229 -15.075 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.206 13.062 -12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.012 14.617 -13.550 1.00 0.00 H new ATOM 0 HE ARG A 88 1.554 13.377 -15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.376 10.766 -13.640 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.817 10.428 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.520 13.564 -13.649 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.807 11.997 -12.885 1.00 0.00 H new ATOM 1460 N ASN A 89 7.727 11.611 -15.141 1.00 0.00 N ATOM 1461 CA ASN A 89 8.323 10.973 -16.355 1.00 0.00 C ATOM 1462 C ASN A 89 8.793 9.544 -16.055 1.00 0.00 C ATOM 1463 O ASN A 89 8.794 8.691 -16.919 1.00 0.00 O ATOM 1464 CB ASN A 89 9.513 11.810 -16.828 1.00 0.00 C ATOM 1465 CG ASN A 89 9.027 13.204 -17.228 1.00 0.00 C ATOM 1466 OD1 ASN A 89 8.404 13.891 -16.443 1.00 0.00 O ATOM 1467 ND2 ASN A 89 9.287 13.655 -18.425 1.00 0.00 N ATOM 0 H ASN A 89 8.281 12.363 -14.732 1.00 0.00 H new ATOM 0 HA ASN A 89 7.560 10.926 -17.132 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.257 11.886 -16.035 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.999 11.325 -17.675 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.967 14.584 -18.701 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.810 13.079 -19.085 1.00 0.00 H new ATOM 1474 N LEU A 90 9.198 9.274 -14.846 1.00 0.00 N ATOM 1475 CA LEU A 90 9.673 7.901 -14.509 1.00 0.00 C ATOM 1476 C LEU A 90 8.596 6.875 -14.870 1.00 0.00 C ATOM 1477 O LEU A 90 8.890 5.739 -15.182 1.00 0.00 O ATOM 1478 CB LEU A 90 9.971 7.817 -13.013 1.00 0.00 C ATOM 1479 CG LEU A 90 11.442 8.157 -12.767 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.763 7.990 -11.280 1.00 0.00 C ATOM 1481 CD2 LEU A 90 12.326 7.218 -13.589 1.00 0.00 C ATOM 0 H LEU A 90 9.221 9.943 -14.076 1.00 0.00 H new ATOM 0 HA LEU A 90 10.579 7.687 -15.076 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.330 8.507 -12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.751 6.816 -12.643 1.00 0.00 H new ATOM 0 HG LEU A 90 11.632 9.188 -13.065 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.811 8.232 -11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.133 8.659 -10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.574 6.959 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.374 7.460 -13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.137 6.187 -13.291 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.098 7.338 -14.648 1.00 0.00 H new ATOM 1493 N TRP A 91 7.353 7.260 -14.819 1.00 0.00 N ATOM 1494 CA TRP A 91 6.260 6.312 -15.146 1.00 0.00 C ATOM 1495 C TRP A 91 6.277 5.997 -16.647 1.00 0.00 C ATOM 1496 O TRP A 91 5.973 4.894 -17.057 1.00 0.00 O ATOM 1497 CB TRP A 91 4.928 6.950 -14.748 1.00 0.00 C ATOM 1498 CG TRP A 91 4.853 7.046 -13.264 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.721 8.197 -12.584 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.903 5.981 -12.273 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.689 7.917 -11.229 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.798 6.563 -10.987 1.00 0.00 C ATOM 1503 CE3 TRP A 91 5.029 4.582 -12.360 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.817 5.784 -9.829 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 5.048 3.797 -11.197 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.944 4.397 -9.932 1.00 0.00 C ATOM 0 H TRP A 91 7.047 8.199 -14.562 1.00 0.00 H new ATOM 0 HA TRP A 91 6.395 5.379 -14.600 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.839 7.941 -15.193 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.098 6.354 -15.128 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.651 9.181 -13.023 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.596 8.624 -10.500 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.112 4.110 -13.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.734 6.251 -8.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 5.143 2.724 -11.276 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.962 3.787 -9.041 1.00 0.00 H new ATOM 1517 N GLY A 92 6.636 6.945 -17.472 1.00 0.00 N ATOM 1518 CA GLY A 92 6.677 6.673 -18.938 1.00 0.00 C ATOM 1519 C GLY A 92 7.850 5.740 -19.245 1.00 0.00 C ATOM 1520 O GLY A 92 7.706 4.737 -19.914 1.00 0.00 O ATOM 0 H GLY A 92 6.901 7.890 -17.196 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.741 6.218 -19.262 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.785 7.607 -19.490 1.00 0.00 H new ATOM 1524 N LEU A 93 9.013 6.078 -18.760 1.00 0.00 N ATOM 1525 CA LEU A 93 10.216 5.235 -19.012 1.00 0.00 C ATOM 1526 C LEU A 93 10.002 3.832 -18.431 1.00 0.00 C ATOM 1527 O LEU A 93 10.438 2.847 -18.994 1.00 0.00 O ATOM 1528 CB LEU A 93 11.427 5.904 -18.354 1.00 0.00 C ATOM 1529 CG LEU A 93 12.575 4.905 -18.204 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.751 4.109 -19.496 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.866 5.672 -17.906 1.00 0.00 C ATOM 0 H LEU A 93 9.183 6.910 -18.195 1.00 0.00 H new ATOM 0 HA LEU A 93 10.387 5.139 -20.084 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.752 6.753 -18.955 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.147 6.295 -17.376 1.00 0.00 H new ATOM 0 HG LEU A 93 12.349 4.217 -17.390 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.571 3.401 -19.378 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.832 3.566 -19.717 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.976 4.791 -20.316 1.00 0.00 H new ATOM 0 HD21 LEU A 93 14.691 4.968 -17.797 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.080 6.357 -18.726 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.748 6.238 -16.982 1.00 0.00 H new ATOM 1543 N ALA A 94 9.335 3.730 -17.315 1.00 0.00 N ATOM 1544 CA ALA A 94 9.097 2.389 -16.711 1.00 0.00 C ATOM 1545 C ALA A 94 7.968 1.684 -17.468 1.00 0.00 C ATOM 1546 O ALA A 94 8.189 0.730 -18.187 1.00 0.00 O ATOM 1547 CB ALA A 94 8.700 2.553 -15.243 1.00 0.00 C ATOM 0 H ALA A 94 8.945 4.516 -16.796 1.00 0.00 H new ATOM 0 HA ALA A 94 10.008 1.794 -16.776 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.526 1.572 -14.801 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.502 3.057 -14.703 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.789 3.148 -15.177 1.00 0.00 H new ATOM 1553 N GLY A 95 6.759 2.152 -17.315 1.00 0.00 N ATOM 1554 CA GLY A 95 5.615 1.516 -18.027 1.00 0.00 C ATOM 1555 C GLY A 95 4.658 0.881 -17.008 1.00 0.00 C ATOM 1556 O GLY A 95 3.494 0.678 -17.289 1.00 0.00 O ATOM 0 H GLY A 95 6.514 2.949 -16.727 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.086 2.260 -18.622 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.981 0.757 -18.718 1.00 0.00 H new ATOM 1560 N LEU A 96 5.130 0.565 -15.827 1.00 0.00 N ATOM 1561 CA LEU A 96 4.228 -0.052 -14.815 1.00 0.00 C ATOM 1562 C LEU A 96 3.793 0.995 -13.804 1.00 0.00 C ATOM 1563 O LEU A 96 4.457 1.988 -13.578 1.00 0.00 O ATOM 1564 CB LEU A 96 4.956 -1.193 -14.105 1.00 0.00 C ATOM 1565 CG LEU A 96 4.009 -1.959 -13.177 1.00 0.00 C ATOM 1566 CD1 LEU A 96 3.743 -3.348 -13.760 1.00 0.00 C ATOM 1567 CD2 LEU A 96 4.655 -2.105 -11.798 1.00 0.00 C ATOM 0 H LEU A 96 6.094 0.708 -15.525 1.00 0.00 H new ATOM 0 HA LEU A 96 3.345 -0.448 -15.315 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.377 -1.875 -14.844 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.790 -0.793 -13.529 1.00 0.00 H new ATOM 0 HG LEU A 96 3.070 -1.414 -13.084 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.069 -3.896 -13.102 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.286 -3.248 -14.745 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.684 -3.891 -13.850 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.982 -2.650 -11.137 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.593 -2.652 -11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.851 -1.117 -11.382 1.00 0.00 H new ATOM 1579 N ASN A 97 2.671 0.772 -13.203 1.00 0.00 N ATOM 1580 CA ASN A 97 2.146 1.739 -12.199 1.00 0.00 C ATOM 1581 C ASN A 97 1.445 0.976 -11.075 1.00 0.00 C ATOM 1582 O ASN A 97 0.304 1.236 -10.750 1.00 0.00 O ATOM 1583 CB ASN A 97 1.149 2.682 -12.875 1.00 0.00 C ATOM 1584 CG ASN A 97 1.227 4.062 -12.220 1.00 0.00 C ATOM 1585 OD1 ASN A 97 1.386 5.060 -12.896 1.00 0.00 O ATOM 1586 ND2 ASN A 97 1.121 4.163 -10.923 1.00 0.00 N ATOM 0 H ASN A 97 2.083 -0.046 -13.361 1.00 0.00 H new ATOM 0 HA ASN A 97 2.971 2.318 -11.785 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.370 2.760 -13.939 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.138 2.283 -12.788 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.172 5.079 -10.477 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.988 3.326 -10.355 1.00 0.00 H new ATOM 1593 N SER A 98 2.121 0.037 -10.478 1.00 0.00 N ATOM 1594 CA SER A 98 1.501 -0.747 -9.375 1.00 0.00 C ATOM 1595 C SER A 98 2.475 -1.831 -8.911 1.00 0.00 C ATOM 1596 O SER A 98 2.225 -3.009 -9.062 1.00 0.00 O ATOM 1597 CB SER A 98 0.211 -1.400 -9.876 1.00 0.00 C ATOM 1598 OG SER A 98 -0.903 -0.608 -9.490 1.00 0.00 O ATOM 0 H SER A 98 3.080 -0.223 -10.707 1.00 0.00 H new ATOM 0 HA SER A 98 1.272 -0.083 -8.541 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.240 -1.501 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.116 -2.405 -9.464 1.00 0.00 H new ATOM 0 HG SER A 98 -0.691 0.340 -9.619 1.00 0.00 H new ATOM 1604 N CYS A 99 3.587 -1.440 -8.350 1.00 0.00 N ATOM 1605 CA CYS A 99 4.579 -2.450 -7.883 1.00 0.00 C ATOM 1606 C CYS A 99 4.874 -2.243 -6.392 1.00 0.00 C ATOM 1607 O CYS A 99 5.984 -1.912 -6.025 1.00 0.00 O ATOM 1608 CB CYS A 99 5.875 -2.286 -8.680 1.00 0.00 C ATOM 1609 SG CYS A 99 6.498 -0.599 -8.479 1.00 0.00 S ATOM 0 H CYS A 99 3.851 -0.467 -8.195 1.00 0.00 H new ATOM 0 HA CYS A 99 4.172 -3.450 -8.033 1.00 0.00 H new ATOM 0 HB2 CYS A 99 6.620 -3.003 -8.335 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.695 -2.495 -9.734 1.00 0.00 H new ATOM 1614 N PRO A 100 3.872 -2.450 -5.574 1.00 0.00 N ATOM 1615 CA PRO A 100 3.987 -2.303 -4.090 1.00 0.00 C ATOM 1616 C PRO A 100 4.729 -3.501 -3.489 1.00 0.00 C ATOM 1617 O PRO A 100 4.133 -4.496 -3.132 1.00 0.00 O ATOM 1618 CB PRO A 100 2.538 -2.277 -3.626 1.00 0.00 C ATOM 1619 CG PRO A 100 1.720 -2.984 -4.700 1.00 0.00 C ATOM 1620 CD PRO A 100 2.497 -2.861 -6.013 1.00 0.00 C ATOM 0 HA PRO A 100 4.546 -1.417 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.431 -2.779 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.194 -1.252 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.567 -4.031 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.733 -2.531 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.516 -3.805 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 100 2.050 -2.120 -6.675 1.00 0.00 H new ATOM 1628 N VAL A 101 6.027 -3.412 -3.377 1.00 0.00 N ATOM 1629 CA VAL A 101 6.801 -4.547 -2.801 1.00 0.00 C ATOM 1630 C VAL A 101 8.298 -4.275 -2.964 1.00 0.00 C ATOM 1631 O VAL A 101 8.706 -3.453 -3.761 1.00 0.00 O ATOM 1632 CB VAL A 101 6.434 -5.840 -3.534 1.00 0.00 C ATOM 1633 CG1 VAL A 101 6.481 -5.600 -5.045 1.00 0.00 C ATOM 1634 CG2 VAL A 101 7.432 -6.939 -3.162 1.00 0.00 C ATOM 0 H VAL A 101 6.583 -2.604 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 101 6.563 -4.651 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 101 5.429 -6.148 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.220 -6.520 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.771 -4.817 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.486 -5.292 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.171 -7.860 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 101 8.437 -6.631 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.400 -7.110 -2.086 1.00 0.00 H new ATOM 1644 N LYS A 102 9.118 -4.957 -2.215 1.00 0.00 N ATOM 1645 CA LYS A 102 10.587 -4.736 -2.326 1.00 0.00 C ATOM 1646 C LYS A 102 10.955 -3.424 -1.637 1.00 0.00 C ATOM 1647 O LYS A 102 11.187 -2.416 -2.275 1.00 0.00 O ATOM 1648 CB LYS A 102 10.985 -4.672 -3.801 1.00 0.00 C ATOM 1649 CG LYS A 102 12.482 -4.959 -3.938 1.00 0.00 C ATOM 1650 CD LYS A 102 13.051 -4.151 -5.107 1.00 0.00 C ATOM 1651 CE LYS A 102 12.161 -4.336 -6.337 1.00 0.00 C ATOM 1652 NZ LYS A 102 13.006 -4.325 -7.565 1.00 0.00 N ATOM 0 H LYS A 102 8.835 -5.658 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 102 11.117 -5.559 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.410 -5.398 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.754 -3.688 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.999 -4.697 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.645 -6.024 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.106 -3.096 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.067 -4.478 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.615 -5.277 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.419 -3.539 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.431 -4.028 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.795 -3.660 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.382 -5.279 -7.736 1.00 0.00 H new ATOM 1666 N GLU A 103 11.012 -3.432 -0.336 1.00 0.00 N ATOM 1667 CA GLU A 103 11.365 -2.188 0.406 1.00 0.00 C ATOM 1668 C GLU A 103 11.201 -2.427 1.908 1.00 0.00 C ATOM 1669 O GLU A 103 10.110 -2.369 2.440 1.00 0.00 O ATOM 1670 CB GLU A 103 10.448 -1.041 -0.029 1.00 0.00 C ATOM 1671 CG GLU A 103 9.117 -1.609 -0.522 1.00 0.00 C ATOM 1672 CD GLU A 103 8.013 -0.568 -0.328 1.00 0.00 C ATOM 1673 OE1 GLU A 103 8.268 0.422 0.335 1.00 0.00 O ATOM 1674 OE2 GLU A 103 6.929 -0.781 -0.849 1.00 0.00 O ATOM 0 H GLU A 103 10.829 -4.248 0.248 1.00 0.00 H new ATOM 0 HA GLU A 103 12.399 -1.923 0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.278 -0.361 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.923 -0.462 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.194 -1.881 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.873 -2.519 0.026 1.00 0.00 H new ATOM 1681 N ALA A 104 12.276 -2.699 2.597 1.00 0.00 N ATOM 1682 CA ALA A 104 12.178 -2.943 4.064 1.00 0.00 C ATOM 1683 C ALA A 104 13.400 -2.348 4.764 1.00 0.00 C ATOM 1684 O ALA A 104 13.301 -1.775 5.830 1.00 0.00 O ATOM 1685 CB ALA A 104 12.122 -4.449 4.327 1.00 0.00 C ATOM 0 H ALA A 104 13.217 -2.763 2.208 1.00 0.00 H new ATOM 0 HA ALA A 104 11.274 -2.472 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.050 -4.629 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.250 -4.873 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.026 -4.920 3.940 1.00 0.00 H new ATOM 1691 N ASN A 105 14.556 -2.479 4.171 1.00 0.00 N ATOM 1692 CA ASN A 105 15.785 -1.921 4.803 1.00 0.00 C ATOM 1693 C ASN A 105 15.982 -0.474 4.343 1.00 0.00 C ATOM 1694 O ASN A 105 16.576 -0.215 3.316 1.00 0.00 O ATOM 1695 CB ASN A 105 16.997 -2.757 4.389 1.00 0.00 C ATOM 1696 CG ASN A 105 18.123 -2.565 5.406 1.00 0.00 C ATOM 1697 OD1 ASN A 105 18.746 -1.522 5.450 1.00 0.00 O ATOM 1698 ND2 ASN A 105 18.414 -3.533 6.232 1.00 0.00 N ATOM 0 H ASN A 105 14.702 -2.948 3.277 1.00 0.00 H new ATOM 0 HA ASN A 105 15.680 -1.947 5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.722 -3.810 4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.335 -2.460 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.163 -3.414 6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.892 -4.408 6.196 1.00 0.00 H new ATOM 1705 N GLN A 106 15.488 0.470 5.097 1.00 0.00 N ATOM 1706 CA GLN A 106 15.647 1.898 4.702 1.00 0.00 C ATOM 1707 C GLN A 106 17.084 2.141 4.234 1.00 0.00 C ATOM 1708 O GLN A 106 17.972 1.350 4.490 1.00 0.00 O ATOM 1709 CB GLN A 106 15.343 2.795 5.902 1.00 0.00 C ATOM 1710 CG GLN A 106 16.414 2.590 6.977 1.00 0.00 C ATOM 1711 CD GLN A 106 16.304 3.698 8.025 1.00 0.00 C ATOM 1712 OE1 GLN A 106 15.899 4.802 7.719 1.00 0.00 O ATOM 1713 NE2 GLN A 106 16.651 3.450 9.258 1.00 0.00 N ATOM 0 H GLN A 106 14.982 0.314 5.969 1.00 0.00 H new ATOM 0 HA GLN A 106 14.957 2.130 3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.319 3.840 5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 106 14.358 2.560 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 106 16.289 1.615 7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.405 2.600 6.524 1.00 0.00 H new ATOM 0 HE21 GLN A 106 16.991 2.523 9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.582 4.183 9.964 1.00 0.00 H new ATOM 1722 N SER A 107 17.320 3.225 3.549 1.00 0.00 N ATOM 1723 CA SER A 107 18.700 3.515 3.066 1.00 0.00 C ATOM 1724 C SER A 107 18.856 5.023 2.857 1.00 0.00 C ATOM 1725 O SER A 107 17.975 5.796 3.175 1.00 0.00 O ATOM 1726 CB SER A 107 18.936 2.783 1.743 1.00 0.00 C ATOM 1727 OG SER A 107 20.273 2.308 1.697 1.00 0.00 O ATOM 0 H SER A 107 16.618 3.923 3.303 1.00 0.00 H new ATOM 0 HA SER A 107 19.428 3.175 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.239 1.950 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.748 3.454 0.905 1.00 0.00 H new ATOM 0 HG SER A 107 20.342 1.588 1.035 1.00 0.00 H new ATOM 1733 N THR A 108 19.966 5.449 2.316 1.00 0.00 N ATOM 1734 CA THR A 108 20.162 6.907 2.084 1.00 0.00 C ATOM 1735 C THR A 108 19.939 7.197 0.598 1.00 0.00 C ATOM 1736 O THR A 108 20.277 6.396 -0.250 1.00 0.00 O ATOM 1737 CB THR A 108 21.587 7.305 2.476 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.515 6.522 1.738 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.791 7.066 3.972 1.00 0.00 C ATOM 0 H THR A 108 20.741 4.853 2.026 1.00 0.00 H new ATOM 0 HA THR A 108 19.457 7.478 2.687 1.00 0.00 H new ATOM 0 HB THR A 108 21.745 8.361 2.254 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.428 6.777 1.986 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.806 7.350 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.078 7.667 4.537 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.634 6.011 4.197 1.00 0.00 H new ATOM 1747 N LEU A 109 19.364 8.318 0.269 1.00 0.00 N ATOM 1748 CA LEU A 109 19.122 8.615 -1.168 1.00 0.00 C ATOM 1749 C LEU A 109 20.430 8.577 -1.947 1.00 0.00 C ATOM 1750 O LEU A 109 20.435 8.274 -3.114 1.00 0.00 O ATOM 1751 CB LEU A 109 18.457 9.972 -1.359 1.00 0.00 C ATOM 1752 CG LEU A 109 17.665 9.914 -2.672 1.00 0.00 C ATOM 1753 CD1 LEU A 109 16.288 10.525 -2.476 1.00 0.00 C ATOM 1754 CD2 LEU A 109 18.391 10.673 -3.769 1.00 0.00 C ATOM 0 H LEU A 109 19.054 9.035 0.925 1.00 0.00 H new ATOM 0 HA LEU A 109 18.448 7.847 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.796 10.197 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.205 10.764 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 109 17.567 8.868 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.733 10.480 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.750 9.970 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 109 16.392 11.565 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 109 17.813 10.620 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 109 18.508 11.716 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 109 19.373 10.229 -3.930 1.00 0.00 H new ATOM 1766 N GLU A 110 21.540 8.877 -1.337 1.00 0.00 N ATOM 1767 CA GLU A 110 22.811 8.827 -2.109 1.00 0.00 C ATOM 1768 C GLU A 110 22.859 7.486 -2.846 1.00 0.00 C ATOM 1769 O GLU A 110 23.184 7.414 -4.014 1.00 0.00 O ATOM 1770 CB GLU A 110 24.001 8.934 -1.152 1.00 0.00 C ATOM 1771 CG GLU A 110 25.303 8.930 -1.956 1.00 0.00 C ATOM 1772 CD GLU A 110 26.200 7.791 -1.468 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.801 7.945 -0.418 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.272 6.784 -2.153 1.00 0.00 O ATOM 0 H GLU A 110 21.624 9.149 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 110 22.860 9.653 -2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.927 9.848 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.992 8.101 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 110 25.087 8.808 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.816 9.885 -1.843 1.00 0.00 H new ATOM 1781 N ASN A 111 22.519 6.425 -2.164 1.00 0.00 N ATOM 1782 CA ASN A 111 22.517 5.080 -2.807 1.00 0.00 C ATOM 1783 C ASN A 111 21.362 4.978 -3.808 1.00 0.00 C ATOM 1784 O ASN A 111 21.444 4.261 -4.768 1.00 0.00 O ATOM 1785 CB ASN A 111 22.376 3.995 -1.731 1.00 0.00 C ATOM 1786 CG ASN A 111 22.044 2.656 -2.392 1.00 0.00 C ATOM 1787 OD1 ASN A 111 22.546 2.347 -3.453 1.00 0.00 O ATOM 1788 ND2 ASN A 111 21.211 1.841 -1.804 1.00 0.00 N ATOM 0 H ASN A 111 22.241 6.433 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 111 23.457 4.937 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.302 3.911 -1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.591 4.268 -1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 111 20.983 0.946 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.788 2.099 -0.912 1.00 0.00 H new ATOM 1795 N PHE A 112 20.285 5.679 -3.591 1.00 0.00 N ATOM 1796 CA PHE A 112 19.143 5.606 -4.564 1.00 0.00 C ATOM 1797 C PHE A 112 19.582 6.229 -5.882 1.00 0.00 C ATOM 1798 O PHE A 112 19.247 5.758 -6.939 1.00 0.00 O ATOM 1799 CB PHE A 112 17.935 6.396 -4.027 1.00 0.00 C ATOM 1800 CG PHE A 112 16.757 6.207 -4.958 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.868 5.142 -4.764 1.00 0.00 C ATOM 1802 CD2 PHE A 112 16.554 7.099 -6.018 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.781 4.971 -5.629 1.00 0.00 C ATOM 1804 CE2 PHE A 112 15.467 6.926 -6.884 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.581 5.863 -6.689 1.00 0.00 C ATOM 0 H PHE A 112 20.140 6.296 -2.792 1.00 0.00 H new ATOM 0 HA PHE A 112 18.859 4.563 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.679 6.053 -3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.184 7.454 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.021 4.453 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 112 17.237 7.922 -6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.096 4.150 -5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.314 7.614 -7.702 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.742 5.730 -7.356 1.00 0.00 H new ATOM 1815 N LEU A 113 20.321 7.292 -5.832 1.00 0.00 N ATOM 1816 CA LEU A 113 20.782 7.922 -7.086 1.00 0.00 C ATOM 1817 C LEU A 113 21.855 7.020 -7.727 1.00 0.00 C ATOM 1818 O LEU A 113 21.965 6.934 -8.931 1.00 0.00 O ATOM 1819 CB LEU A 113 21.347 9.315 -6.778 1.00 0.00 C ATOM 1820 CG LEU A 113 20.812 10.318 -7.799 1.00 0.00 C ATOM 1821 CD1 LEU A 113 21.292 9.932 -9.197 1.00 0.00 C ATOM 1822 CD2 LEU A 113 19.282 10.308 -7.760 1.00 0.00 C ATOM 0 H LEU A 113 20.626 7.752 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 113 19.953 8.036 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.064 9.619 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 113 22.436 9.293 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 113 21.178 11.316 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 113 20.909 10.649 -9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 113 22.382 9.937 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.928 8.935 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 113 18.895 11.022 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.918 9.310 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.942 10.585 -6.762 1.00 0.00 H new ATOM 1834 N GLU A 114 22.642 6.337 -6.920 1.00 0.00 N ATOM 1835 CA GLU A 114 23.694 5.430 -7.463 1.00 0.00 C ATOM 1836 C GLU A 114 23.033 4.196 -8.088 1.00 0.00 C ATOM 1837 O GLU A 114 23.366 3.766 -9.174 1.00 0.00 O ATOM 1838 CB GLU A 114 24.581 4.991 -6.296 1.00 0.00 C ATOM 1839 CG GLU A 114 25.927 4.484 -6.805 1.00 0.00 C ATOM 1840 CD GLU A 114 26.522 5.490 -7.792 1.00 0.00 C ATOM 1841 OE1 GLU A 114 26.370 6.679 -7.561 1.00 0.00 O ATOM 1842 OE2 GLU A 114 27.121 5.056 -8.762 1.00 0.00 O ATOM 0 H GLU A 114 22.594 6.375 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 114 24.283 5.942 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.736 5.828 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.082 4.206 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.609 4.335 -5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 114 25.801 3.516 -7.290 1.00 0.00 H new ATOM 1849 N ARG A 115 22.106 3.629 -7.374 1.00 0.00 N ATOM 1850 CA ARG A 115 21.382 2.413 -7.834 1.00 0.00 C ATOM 1851 C ARG A 115 20.456 2.769 -8.993 1.00 0.00 C ATOM 1852 O ARG A 115 20.454 2.139 -10.032 1.00 0.00 O ATOM 1853 CB ARG A 115 20.533 1.905 -6.659 1.00 0.00 C ATOM 1854 CG ARG A 115 20.745 0.400 -6.481 1.00 0.00 C ATOM 1855 CD ARG A 115 20.550 -0.310 -7.823 1.00 0.00 C ATOM 1856 NE ARG A 115 21.733 -1.171 -8.104 1.00 0.00 N ATOM 1857 CZ ARG A 115 21.811 -2.364 -7.581 1.00 0.00 C ATOM 1858 NH1 ARG A 115 21.838 -2.507 -6.284 1.00 0.00 N ATOM 1859 NH2 ARG A 115 21.861 -3.414 -8.354 1.00 0.00 N ATOM 0 H ARG A 115 21.810 3.969 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 115 22.091 1.655 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.808 2.431 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.479 2.114 -6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 115 21.747 0.207 -6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.042 0.008 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 115 19.644 -0.915 -7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 115 20.422 0.423 -8.620 1.00 0.00 H new ATOM 0 HE ARG A 115 22.482 -0.828 -8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 115 21.798 -1.686 -5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 115 21.899 -3.439 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 115 21.839 -3.303 -9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 115 21.922 -4.346 -7.945 1.00 0.00 H new ATOM 1873 N LEU A 116 19.666 3.777 -8.803 1.00 0.00 N ATOM 1874 CA LEU A 116 18.714 4.214 -9.858 1.00 0.00 C ATOM 1875 C LEU A 116 19.489 4.590 -11.136 1.00 0.00 C ATOM 1876 O LEU A 116 19.074 4.265 -12.231 1.00 0.00 O ATOM 1877 CB LEU A 116 17.952 5.444 -9.355 1.00 0.00 C ATOM 1878 CG LEU A 116 16.829 5.782 -10.336 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.476 5.595 -9.647 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.971 7.236 -10.794 1.00 0.00 C ATOM 0 H LEU A 116 19.636 4.330 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 116 18.020 3.404 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.539 5.250 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.631 6.291 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 116 16.891 5.121 -11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.675 5.836 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.374 4.560 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.414 6.256 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.170 7.477 -11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.909 7.897 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.935 7.370 -11.285 1.00 0.00 H new ATOM 1892 N LYS A 117 20.607 5.290 -11.019 1.00 0.00 N ATOM 1893 CA LYS A 117 21.363 5.683 -12.244 1.00 0.00 C ATOM 1894 C LYS A 117 22.013 4.458 -12.896 1.00 0.00 C ATOM 1895 O LYS A 117 21.912 4.255 -14.088 1.00 0.00 O ATOM 1896 CB LYS A 117 22.450 6.690 -11.863 1.00 0.00 C ATOM 1897 CG LYS A 117 23.100 7.245 -13.132 1.00 0.00 C ATOM 1898 CD LYS A 117 24.506 7.753 -12.806 1.00 0.00 C ATOM 1899 CE LYS A 117 24.812 8.990 -13.653 1.00 0.00 C ATOM 1900 NZ LYS A 117 26.284 9.100 -13.857 1.00 0.00 N ATOM 0 H LYS A 117 21.015 5.597 -10.136 1.00 0.00 H new ATOM 0 HA LYS A 117 20.669 6.130 -12.956 1.00 0.00 H new ATOM 0 HB2 LYS A 117 22.019 7.502 -11.278 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.202 6.210 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.150 6.470 -13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.495 8.055 -13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 117 24.579 7.998 -11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 117 25.241 6.973 -13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 117 24.305 8.920 -14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.435 9.885 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 26.493 9.941 -14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 26.757 9.186 -12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 26.631 8.250 -14.346 1.00 0.00 H new ATOM 1914 N THR A 118 22.694 3.652 -12.130 1.00 0.00 N ATOM 1915 CA THR A 118 23.365 2.456 -12.718 1.00 0.00 C ATOM 1916 C THR A 118 22.380 1.666 -13.584 1.00 0.00 C ATOM 1917 O THR A 118 22.742 1.133 -14.615 1.00 0.00 O ATOM 1918 CB THR A 118 23.899 1.557 -11.596 1.00 0.00 C ATOM 1919 OG1 THR A 118 24.452 0.378 -12.161 1.00 0.00 O ATOM 1920 CG2 THR A 118 22.762 1.185 -10.644 1.00 0.00 C ATOM 0 H THR A 118 22.816 3.768 -11.124 1.00 0.00 H new ATOM 0 HA THR A 118 24.194 2.791 -13.341 1.00 0.00 H new ATOM 0 HB THR A 118 24.669 2.092 -11.040 1.00 0.00 H new ATOM 0 HG1 THR A 118 24.795 -0.198 -11.446 1.00 0.00 H new ATOM 0 HG21 THR A 118 23.147 0.546 -9.849 1.00 0.00 H new ATOM 0 HG22 THR A 118 22.340 2.091 -10.209 1.00 0.00 H new ATOM 0 HG23 THR A 118 21.987 0.652 -11.194 1.00 0.00 H new ATOM 1928 N ILE A 119 21.141 1.573 -13.181 1.00 0.00 N ATOM 1929 CA ILE A 119 20.158 0.806 -13.994 1.00 0.00 C ATOM 1930 C ILE A 119 19.850 1.548 -15.296 1.00 0.00 C ATOM 1931 O ILE A 119 19.895 0.980 -16.365 1.00 0.00 O ATOM 1932 CB ILE A 119 18.883 0.617 -13.197 1.00 0.00 C ATOM 1933 CG1 ILE A 119 19.135 -0.418 -12.106 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.754 0.131 -14.112 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.700 0.154 -10.764 1.00 0.00 C ATOM 0 H ILE A 119 20.770 1.993 -12.329 1.00 0.00 H new ATOM 0 HA ILE A 119 20.583 -0.167 -14.240 1.00 0.00 H new ATOM 0 HB ILE A 119 18.589 1.568 -12.752 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.583 -1.333 -12.321 1.00 0.00 H new ATOM 0 HG13 ILE A 119 20.192 -0.683 -12.077 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.843 -0.001 -13.528 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.578 0.868 -14.896 1.00 0.00 H new ATOM 0 HG23 ILE A 119 18.036 -0.820 -14.564 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.878 -0.582 -9.980 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.272 1.057 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.638 0.397 -10.799 1.00 0.00 H new ATOM 1947 N MET A 120 19.524 2.810 -15.214 1.00 0.00 N ATOM 1948 CA MET A 120 19.198 3.583 -16.446 1.00 0.00 C ATOM 1949 C MET A 120 20.317 3.458 -17.472 1.00 0.00 C ATOM 1950 O MET A 120 20.067 3.310 -18.641 1.00 0.00 O ATOM 1951 CB MET A 120 19.004 5.052 -16.079 1.00 0.00 C ATOM 1952 CG MET A 120 17.582 5.243 -15.561 1.00 0.00 C ATOM 1953 SD MET A 120 17.604 6.060 -13.951 1.00 0.00 S ATOM 1954 CE MET A 120 15.839 5.852 -13.608 1.00 0.00 C ATOM 0 H MET A 120 19.469 3.340 -14.344 1.00 0.00 H new ATOM 0 HA MET A 120 18.283 3.182 -16.882 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.726 5.350 -15.319 1.00 0.00 H new ATOM 0 HB3 MET A 120 19.177 5.685 -16.949 1.00 0.00 H new ATOM 0 HG2 MET A 120 17.007 5.838 -16.270 1.00 0.00 H new ATOM 0 HG3 MET A 120 17.085 4.276 -15.479 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.427 6.792 -13.240 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.322 5.562 -14.523 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.704 5.077 -12.854 1.00 0.00 H new ATOM 1964 N ARG A 121 21.543 3.516 -17.062 1.00 0.00 N ATOM 1965 CA ARG A 121 22.639 3.384 -18.060 1.00 0.00 C ATOM 1966 C ARG A 121 22.490 2.034 -18.758 1.00 0.00 C ATOM 1967 O ARG A 121 22.779 1.884 -19.929 1.00 0.00 O ATOM 1968 CB ARG A 121 23.984 3.429 -17.343 1.00 0.00 C ATOM 1969 CG ARG A 121 24.755 4.678 -17.775 1.00 0.00 C ATOM 1970 CD ARG A 121 23.837 5.899 -17.698 1.00 0.00 C ATOM 1971 NE ARG A 121 23.333 6.230 -19.060 1.00 0.00 N ATOM 1972 CZ ARG A 121 24.176 6.468 -20.028 1.00 0.00 C ATOM 1973 NH1 ARG A 121 25.116 7.360 -19.870 1.00 0.00 N ATOM 1974 NH2 ARG A 121 24.081 5.812 -21.152 1.00 0.00 N ATOM 0 H ARG A 121 21.837 3.647 -16.094 1.00 0.00 H new ATOM 0 HA ARG A 121 22.588 4.196 -18.785 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.832 3.439 -16.264 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.562 2.534 -17.576 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.623 4.822 -17.132 1.00 0.00 H new ATOM 0 HG3 ARG A 121 25.128 4.554 -18.792 1.00 0.00 H new ATOM 0 HD2 ARG A 121 23.001 5.697 -17.029 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.379 6.749 -17.283 1.00 0.00 H new ATOM 0 HE ARG A 121 22.329 6.271 -19.236 1.00 0.00 H new ATOM 0 HH11 ARG A 121 25.192 7.871 -18.990 1.00 0.00 H new ATOM 0 HH12 ARG A 121 25.775 7.546 -20.626 1.00 0.00 H new ATOM 0 HH21 ARG A 121 23.348 5.113 -21.274 1.00 0.00 H new ATOM 0 HH22 ARG A 121 24.740 5.998 -21.908 1.00 0.00 H new ATOM 1988 N GLU A 122 22.051 1.053 -18.028 1.00 0.00 N ATOM 1989 CA GLU A 122 21.879 -0.315 -18.602 1.00 0.00 C ATOM 1990 C GLU A 122 20.711 -0.350 -19.600 1.00 0.00 C ATOM 1991 O GLU A 122 20.848 -0.836 -20.704 1.00 0.00 O ATOM 1992 CB GLU A 122 21.564 -1.296 -17.464 1.00 0.00 C ATOM 1993 CG GLU A 122 22.777 -1.483 -16.531 1.00 0.00 C ATOM 1994 CD GLU A 122 22.289 -1.980 -15.170 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.314 -2.713 -15.143 1.00 0.00 O ATOM 1996 OE2 GLU A 122 22.899 -1.621 -14.176 1.00 0.00 O ATOM 0 H GLU A 122 21.799 1.137 -17.043 1.00 0.00 H new ATOM 0 HA GLU A 122 22.799 -0.590 -19.117 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.714 -0.928 -16.889 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.273 -2.259 -17.882 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.477 -2.198 -16.963 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.313 -0.541 -16.417 1.00 0.00 H new ATOM 2003 N LYS A 123 19.560 0.137 -19.219 1.00 0.00 N ATOM 2004 CA LYS A 123 18.395 0.097 -20.155 1.00 0.00 C ATOM 2005 C LYS A 123 18.673 0.995 -21.362 1.00 0.00 C ATOM 2006 O LYS A 123 18.315 0.687 -22.482 1.00 0.00 O ATOM 2007 CB LYS A 123 17.144 0.592 -19.430 1.00 0.00 C ATOM 2008 CG LYS A 123 16.004 -0.407 -19.640 1.00 0.00 C ATOM 2009 CD LYS A 123 14.791 0.317 -20.230 1.00 0.00 C ATOM 2010 CE LYS A 123 13.971 -0.663 -21.070 1.00 0.00 C ATOM 2011 NZ LYS A 123 12.898 0.080 -21.791 1.00 0.00 N ATOM 0 H LYS A 123 19.375 0.558 -18.308 1.00 0.00 H new ATOM 0 HA LYS A 123 18.239 -0.927 -20.495 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.349 0.708 -18.366 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.856 1.573 -19.807 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.325 -1.205 -20.309 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.736 -0.874 -18.692 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.176 0.730 -19.430 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.118 1.155 -20.846 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.616 -1.176 -21.784 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.532 -1.428 -20.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 12.339 -0.585 -22.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.277 0.550 -21.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.328 0.794 -22.413 1.00 0.00 H new ATOM 2025 N TYR A 124 19.304 2.102 -21.128 1.00 0.00 N ATOM 2026 CA TYR A 124 19.621 3.050 -22.228 1.00 0.00 C ATOM 2027 C TYR A 124 20.705 2.447 -23.128 1.00 0.00 C ATOM 2028 O TYR A 124 20.729 2.671 -24.322 1.00 0.00 O ATOM 2029 CB TYR A 124 20.118 4.366 -21.622 1.00 0.00 C ATOM 2030 CG TYR A 124 20.172 5.428 -22.689 1.00 0.00 C ATOM 2031 CD1 TYR A 124 21.072 5.303 -23.752 1.00 0.00 C ATOM 2032 CD2 TYR A 124 19.324 6.539 -22.616 1.00 0.00 C ATOM 2033 CE1 TYR A 124 21.127 6.288 -24.745 1.00 0.00 C ATOM 2034 CE2 TYR A 124 19.376 7.526 -23.609 1.00 0.00 C ATOM 2035 CZ TYR A 124 20.278 7.400 -24.672 1.00 0.00 C ATOM 2036 OH TYR A 124 20.331 8.373 -25.649 1.00 0.00 O ATOM 0 H TYR A 124 19.621 2.399 -20.205 1.00 0.00 H new ATOM 0 HA TYR A 124 18.729 3.238 -22.826 1.00 0.00 H new ATOM 0 HB2 TYR A 124 19.455 4.680 -20.816 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.106 4.226 -21.185 1.00 0.00 H new ATOM 0 HD1 TYR A 124 21.726 4.445 -23.807 1.00 0.00 H new ATOM 0 HD2 TYR A 124 18.630 6.635 -21.794 1.00 0.00 H new ATOM 0 HE1 TYR A 124 21.822 6.191 -25.566 1.00 0.00 H new ATOM 0 HE2 TYR A 124 18.721 8.383 -23.554 1.00 0.00 H new ATOM 0 HH TYR A 124 20.603 7.968 -26.499 1.00 0.00 H new ATOM 2046 N SER A 125 21.604 1.691 -22.562 1.00 0.00 N ATOM 2047 CA SER A 125 22.693 1.079 -23.376 1.00 0.00 C ATOM 2048 C SER A 125 22.113 0.050 -24.353 1.00 0.00 C ATOM 2049 O SER A 125 22.811 -0.465 -25.204 1.00 0.00 O ATOM 2050 CB SER A 125 23.693 0.389 -22.449 1.00 0.00 C ATOM 2051 OG SER A 125 24.483 -0.523 -23.197 1.00 0.00 O ATOM 0 H SER A 125 21.632 1.469 -21.567 1.00 0.00 H new ATOM 0 HA SER A 125 23.194 1.864 -23.943 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.332 1.131 -21.969 1.00 0.00 H new ATOM 0 HB3 SER A 125 23.164 -0.138 -21.655 1.00 0.00 H new ATOM 0 HG SER A 125 24.298 -0.409 -24.153 1.00 0.00 H new ATOM 2057 N LYS A 126 20.849 -0.259 -24.243 1.00 0.00 N ATOM 2058 CA LYS A 126 20.250 -1.257 -25.175 1.00 0.00 C ATOM 2059 C LYS A 126 20.427 -0.777 -26.617 1.00 0.00 C ATOM 2060 O LYS A 126 21.154 -1.366 -27.392 1.00 0.00 O ATOM 2061 CB LYS A 126 18.762 -1.416 -24.872 1.00 0.00 C ATOM 2062 CG LYS A 126 18.559 -2.593 -23.915 1.00 0.00 C ATOM 2063 CD LYS A 126 18.196 -2.069 -22.526 1.00 0.00 C ATOM 2064 CE LYS A 126 18.043 -3.245 -21.560 1.00 0.00 C ATOM 2065 NZ LYS A 126 19.230 -3.306 -20.660 1.00 0.00 N ATOM 0 H LYS A 126 20.209 0.134 -23.553 1.00 0.00 H new ATOM 0 HA LYS A 126 20.749 -2.217 -25.045 1.00 0.00 H new ATOM 0 HB2 LYS A 126 18.371 -0.501 -24.428 1.00 0.00 H new ATOM 0 HB3 LYS A 126 18.208 -1.585 -25.795 1.00 0.00 H new ATOM 0 HG2 LYS A 126 17.768 -3.245 -24.287 1.00 0.00 H new ATOM 0 HG3 LYS A 126 19.468 -3.193 -23.862 1.00 0.00 H new ATOM 0 HD2 LYS A 126 18.970 -1.390 -22.169 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.268 -1.499 -22.572 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.133 -3.130 -20.972 1.00 0.00 H new ATOM 0 HE3 LYS A 126 17.947 -4.177 -22.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 19.805 -4.139 -20.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 19.801 -2.445 -20.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 18.913 -3.376 -19.672 1.00 0.00 H new ATOM 2079 N CYS A 127 19.773 0.289 -26.981 1.00 0.00 N ATOM 2080 CA CYS A 127 19.903 0.810 -28.366 1.00 0.00 C ATOM 2081 C CYS A 127 21.383 1.008 -28.704 1.00 0.00 C ATOM 2082 O CYS A 127 21.791 0.882 -29.841 1.00 0.00 O ATOM 2083 CB CYS A 127 19.172 2.145 -28.462 1.00 0.00 C ATOM 2084 SG CYS A 127 19.780 3.258 -27.171 1.00 0.00 S ATOM 0 H CYS A 127 19.151 0.824 -26.375 1.00 0.00 H new ATOM 0 HA CYS A 127 19.469 0.100 -29.070 1.00 0.00 H new ATOM 0 HB2 CYS A 127 19.331 2.589 -29.445 1.00 0.00 H new ATOM 0 HB3 CYS A 127 18.098 1.993 -28.350 1.00 0.00 H new ATOM 2089 N SER A 128 22.189 1.320 -27.725 1.00 0.00 N ATOM 2090 CA SER A 128 23.639 1.529 -27.994 1.00 0.00 C ATOM 2091 C SER A 128 24.340 0.172 -28.096 1.00 0.00 C ATOM 2092 O SER A 128 23.707 -0.863 -28.145 1.00 0.00 O ATOM 2093 CB SER A 128 24.258 2.337 -26.853 1.00 0.00 C ATOM 2094 OG SER A 128 23.582 3.580 -26.731 1.00 0.00 O ATOM 0 H SER A 128 21.906 1.439 -26.752 1.00 0.00 H new ATOM 0 HA SER A 128 23.760 2.072 -28.931 1.00 0.00 H new ATOM 0 HB2 SER A 128 24.188 1.780 -25.919 1.00 0.00 H new ATOM 0 HB3 SER A 128 25.318 2.505 -27.045 1.00 0.00 H new ATOM 0 HG SER A 128 23.978 4.097 -25.999 1.00 0.00 H new ATOM 2100 N SER A 129 25.645 0.170 -28.128 1.00 0.00 N ATOM 2101 CA SER A 129 26.387 -1.118 -28.228 1.00 0.00 C ATOM 2102 C SER A 129 26.508 -1.746 -26.837 1.00 0.00 C ATOM 2103 O SER A 129 26.973 -1.063 -25.940 1.00 0.00 O ATOM 2104 CB SER A 129 27.784 -0.859 -28.794 1.00 0.00 C ATOM 2105 OG SER A 129 28.599 -2.004 -28.589 1.00 0.00 O ATOM 2106 OXT SER A 129 26.134 -2.899 -26.695 1.00 0.00 O ATOM 0 H SER A 129 26.229 1.005 -28.089 1.00 0.00 H new ATOM 0 HA SER A 129 25.848 -1.798 -28.888 1.00 0.00 H new ATOM 0 HB2 SER A 129 27.720 -0.631 -29.858 1.00 0.00 H new ATOM 0 HB3 SER A 129 28.229 0.009 -28.308 1.00 0.00 H new ATOM 0 HG SER A 129 29.494 -1.838 -28.953 1.00 0.00 H new TER 2112 SER A 129