USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 6 SER OG : rot -59:sc= 0.995 USER MOD Set 1.2: B 8 SER OG : rot 95:sc= 0.0101 USER MOD Set 2.1: A 6 SER OG : rot -76:sc= 0.988 USER MOD Set 2.2: A 8 SER OG : rot 98:sc= 0.0101 USER MOD Single : A 1 ARG N :NH3+ -142:sc= 0.781 (180deg=0.168) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 16:sc= 0.619 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 12 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.8!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.62 USER MOD Single : A 16 ASN : amide:sc= -0.575 K(o=-0.57,f=-1.7!) USER MOD Single : A 18 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.5) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -6.08! C(o=-6.1!,f=-9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.12 USER MOD Single : A 60 THR OG1 : rot -67:sc= 0.857 USER MOD Single : A 61 THR OG1 : rot 61:sc= -0.131 USER MOD Single : A 63 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.0076) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : B 1 ARG N :NH3+ -145:sc= 0.741 (180deg=0.156) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 15:sc= 0.804 USER MOD Single : B 10 THR OG1 : rot 180:sc= -1.2 USER MOD Single : B 12 GLN : amide:sc= -0.285 K(o=-0.28,f=-1.9!) USER MOD Single : B 13 THR OG1 : rot 180:sc= -0.472 USER MOD Single : B 16 ASN : amide:sc= -0.604 K(o=-0.6,f=-2!) USER MOD Single : B 18 GLN : amide:sc= -0.332 K(o=-0.33,f=-1.4) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.9!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -5.95! C(o=-6!,f=-9!) USER MOD Single : B 45 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= -0.247 K(o=-0.25,f=-3!) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= -0.082 USER MOD Single : B 60 THR OG1 : rot -60:sc= 0.926 USER MOD Single : B 61 THR OG1 : rot 58:sc= 0.0369 USER MOD Single : B 63 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.022) USER MOD Single : B 65 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.805 -7.046 0.119 1.00 0.52 N ATOM 2 CA ARG A 1 -16.886 -7.139 -0.903 1.00 0.47 C ATOM 3 C ARG A 1 -16.277 -7.318 -2.294 1.00 0.46 C ATOM 4 O ARG A 1 -16.165 -8.417 -2.798 1.00 0.56 O ATOM 5 CB ARG A 1 -17.628 -5.804 -0.821 1.00 0.41 C ATOM 6 CG ARG A 1 -18.963 -5.998 -0.099 1.00 0.48 C ATOM 7 CD ARG A 1 -20.110 -5.608 -1.035 1.00 0.52 C ATOM 8 NE ARG A 1 -20.736 -4.415 -0.399 1.00 0.60 N ATOM 9 CZ ARG A 1 -20.541 -3.226 -0.905 1.00 0.71 C ATOM 10 NH1 ARG A 1 -19.452 -2.975 -1.576 1.00 0.95 N ATOM 11 NH2 ARG A 1 -21.439 -2.293 -0.744 1.00 0.83 N ATOM 0 H1 ARG A 1 -16.100 -7.545 0.983 1.00 0.52 H new ATOM 0 H2 ARG A 1 -14.937 -7.481 -0.253 1.00 0.52 H new ATOM 0 H3 ARG A 1 -15.623 -6.047 0.342 1.00 0.52 H new ATOM 0 HA ARG A 1 -17.548 -7.987 -0.726 1.00 0.47 H new ATOM 0 HB2 ARG A 1 -17.020 -5.071 -0.290 1.00 0.41 H new ATOM 0 HB3 ARG A 1 -17.799 -5.410 -1.823 1.00 0.41 H new ATOM 0 HG2 ARG A 1 -19.072 -7.036 0.214 1.00 0.48 H new ATOM 0 HG3 ARG A 1 -18.993 -5.388 0.804 1.00 0.48 H new ATOM 0 HD2 ARG A 1 -19.742 -5.376 -2.034 1.00 0.52 H new ATOM 0 HD3 ARG A 1 -20.828 -6.422 -1.141 1.00 0.52 H new ATOM 0 HE ARG A 1 -21.317 -4.526 0.432 1.00 0.60 H new ATOM 0 HH11 ARG A 1 -18.753 -3.706 -1.706 1.00 0.95 H new ATOM 0 HH12 ARG A 1 -19.299 -2.047 -1.971 1.00 0.95 H new ATOM 0 HH21 ARG A 1 -22.293 -2.492 -0.223 1.00 0.83 H new ATOM 0 HH22 ARG A 1 -21.287 -1.365 -1.139 1.00 0.83 H new ATOM 27 N THR A 2 -15.882 -6.241 -2.916 1.00 0.41 N ATOM 28 CA THR A 2 -15.275 -6.345 -4.274 1.00 0.42 C ATOM 29 C THR A 2 -13.928 -5.619 -4.312 1.00 0.42 C ATOM 30 O THR A 2 -13.772 -4.550 -3.756 1.00 0.48 O ATOM 31 CB THR A 2 -16.261 -5.650 -5.214 1.00 0.40 C ATOM 32 OG1 THR A 2 -17.580 -6.096 -4.939 1.00 0.47 O ATOM 33 CG2 THR A 2 -15.901 -5.976 -6.664 1.00 0.45 C ATOM 0 H THR A 2 -15.953 -5.294 -2.543 1.00 0.41 H new ATOM 0 HA THR A 2 -15.096 -7.383 -4.556 1.00 0.42 H new ATOM 0 HB THR A 2 -16.207 -4.572 -5.061 1.00 0.40 H new ATOM 0 HG1 THR A 2 -18.209 -5.648 -5.542 1.00 0.47 H new ATOM 0 HG21 THR A 2 -16.604 -5.481 -7.334 1.00 0.45 H new ATOM 0 HG22 THR A 2 -14.890 -5.626 -6.875 1.00 0.45 H new ATOM 0 HG23 THR A 2 -15.952 -7.054 -6.818 1.00 0.45 H new ATOM 41 N CYS A 3 -12.960 -6.180 -4.979 1.00 0.41 N ATOM 42 CA CYS A 3 -11.632 -5.508 -5.071 1.00 0.43 C ATOM 43 C CYS A 3 -11.019 -5.774 -6.446 1.00 0.42 C ATOM 44 O CYS A 3 -11.702 -6.158 -7.375 1.00 0.42 O ATOM 45 CB CYS A 3 -10.774 -6.127 -3.967 1.00 0.41 C ATOM 46 SG CYS A 3 -11.256 -5.434 -2.366 1.00 0.39 S ATOM 0 H CYS A 3 -13.029 -7.074 -5.465 1.00 0.41 H new ATOM 0 HA CYS A 3 -11.707 -4.427 -4.950 1.00 0.43 H new ATOM 0 HB2 CYS A 3 -10.899 -7.210 -3.959 1.00 0.41 H new ATOM 0 HB3 CYS A 3 -9.719 -5.929 -4.158 1.00 0.41 H new ATOM 51 N LEU A 4 -9.741 -5.567 -6.592 1.00 0.45 N ATOM 52 CA LEU A 4 -9.105 -5.805 -7.918 1.00 0.46 C ATOM 53 C LEU A 4 -8.029 -6.887 -7.810 1.00 0.42 C ATOM 54 O LEU A 4 -7.264 -6.926 -6.866 1.00 0.43 O ATOM 55 CB LEU A 4 -8.486 -4.461 -8.303 1.00 0.51 C ATOM 56 CG LEU A 4 -9.486 -3.329 -8.035 1.00 0.55 C ATOM 57 CD1 LEU A 4 -8.933 -2.024 -8.603 1.00 0.58 C ATOM 58 CD2 LEU A 4 -10.827 -3.643 -8.710 1.00 0.68 C ATOM 0 H LEU A 4 -9.112 -5.245 -5.856 1.00 0.45 H new ATOM 0 HA LEU A 4 -9.821 -6.153 -8.663 1.00 0.46 H new ATOM 0 HB2 LEU A 4 -7.573 -4.294 -7.731 1.00 0.51 H new ATOM 0 HB3 LEU A 4 -8.206 -4.468 -9.356 1.00 0.51 H new ATOM 0 HG LEU A 4 -9.638 -3.233 -6.960 1.00 0.55 H new ATOM 0 HD11 LEU A 4 -9.641 -1.217 -8.415 1.00 0.58 H new ATOM 0 HD12 LEU A 4 -7.982 -1.792 -8.123 1.00 0.58 H new ATOM 0 HD13 LEU A 4 -8.781 -2.130 -9.677 1.00 0.58 H new ATOM 0 HD21 LEU A 4 -11.531 -2.834 -8.515 1.00 0.68 H new ATOM 0 HD22 LEU A 4 -10.679 -3.743 -9.785 1.00 0.68 H new ATOM 0 HD23 LEU A 4 -11.226 -4.575 -8.311 1.00 0.68 H new ATOM 70 N ILE A 5 -7.977 -7.768 -8.772 1.00 0.46 N ATOM 71 CA ILE A 5 -6.970 -8.859 -8.748 1.00 0.46 C ATOM 72 C ILE A 5 -6.237 -8.929 -10.094 1.00 0.47 C ATOM 73 O ILE A 5 -6.769 -8.552 -11.120 1.00 0.48 O ATOM 74 CB ILE A 5 -7.792 -10.122 -8.509 1.00 0.51 C ATOM 75 CG1 ILE A 5 -9.017 -10.118 -9.427 1.00 0.54 C ATOM 76 CG2 ILE A 5 -8.250 -10.171 -7.050 1.00 0.53 C ATOM 77 CD1 ILE A 5 -9.840 -11.385 -9.190 1.00 0.53 C ATOM 0 H ILE A 5 -8.598 -7.775 -9.581 1.00 0.46 H new ATOM 0 HA ILE A 5 -6.205 -8.715 -7.985 1.00 0.46 H new ATOM 0 HB ILE A 5 -7.178 -10.996 -8.725 1.00 0.51 H new ATOM 0 HG12 ILE A 5 -9.626 -9.235 -9.233 1.00 0.54 H new ATOM 0 HG13 ILE A 5 -8.703 -10.066 -10.469 1.00 0.54 H new ATOM 0 HG21 ILE A 5 -8.837 -11.074 -6.883 1.00 0.53 H new ATOM 0 HG22 ILE A 5 -7.379 -10.178 -6.395 1.00 0.53 H new ATOM 0 HG23 ILE A 5 -8.861 -9.296 -6.831 1.00 0.53 H new ATOM 0 HD11 ILE A 5 -10.712 -11.380 -9.844 1.00 0.53 H new ATOM 0 HD12 ILE A 5 -9.229 -12.261 -9.406 1.00 0.53 H new ATOM 0 HD13 ILE A 5 -10.167 -11.417 -8.151 1.00 0.53 H new ATOM 89 N SER A 6 -5.019 -9.409 -10.097 1.00 0.53 N ATOM 90 CA SER A 6 -4.245 -9.501 -11.374 1.00 0.57 C ATOM 91 C SER A 6 -3.831 -8.106 -11.845 1.00 0.55 C ATOM 92 O SER A 6 -4.333 -7.113 -11.357 1.00 0.56 O ATOM 93 CB SER A 6 -5.196 -10.147 -12.382 1.00 0.65 C ATOM 94 OG SER A 6 -5.720 -9.144 -13.243 1.00 0.68 O ATOM 0 H SER A 6 -4.526 -9.742 -9.269 1.00 0.53 H new ATOM 0 HA SER A 6 -3.330 -10.081 -11.254 1.00 0.57 H new ATOM 0 HB2 SER A 6 -4.669 -10.903 -12.964 1.00 0.65 H new ATOM 0 HB3 SER A 6 -6.007 -10.655 -11.860 1.00 0.65 H new ATOM 0 HG SER A 6 -6.410 -8.634 -12.769 1.00 0.68 H new ATOM 100 N PRO A 7 -2.924 -8.078 -12.784 1.00 0.59 N ATOM 101 CA PRO A 7 -2.430 -6.790 -13.330 1.00 0.62 C ATOM 102 C PRO A 7 -3.513 -6.128 -14.189 1.00 0.57 C ATOM 103 O PRO A 7 -3.390 -4.987 -14.584 1.00 0.53 O ATOM 104 CB PRO A 7 -1.238 -7.200 -14.188 1.00 0.69 C ATOM 105 CG PRO A 7 -1.516 -8.619 -14.566 1.00 0.71 C ATOM 106 CD PRO A 7 -2.277 -9.230 -13.422 1.00 0.67 C ATOM 0 HA PRO A 7 -2.166 -6.068 -12.557 1.00 0.62 H new ATOM 0 HB2 PRO A 7 -1.147 -6.565 -15.070 1.00 0.69 H new ATOM 0 HB3 PRO A 7 -0.303 -7.113 -13.635 1.00 0.69 H new ATOM 0 HG2 PRO A 7 -2.097 -8.667 -15.487 1.00 0.71 H new ATOM 0 HG3 PRO A 7 -0.587 -9.161 -14.746 1.00 0.71 H new ATOM 0 HD2 PRO A 7 -3.009 -9.959 -13.771 1.00 0.67 H new ATOM 0 HD3 PRO A 7 -1.613 -9.750 -12.731 1.00 0.67 H new ATOM 114 N SER A 8 -4.567 -6.841 -14.484 1.00 0.67 N ATOM 115 CA SER A 8 -5.655 -6.259 -15.323 1.00 0.67 C ATOM 116 C SER A 8 -6.288 -5.053 -14.618 1.00 0.69 C ATOM 117 O SER A 8 -7.001 -4.277 -15.219 1.00 0.81 O ATOM 118 CB SER A 8 -6.674 -7.387 -15.485 1.00 0.74 C ATOM 119 OG SER A 8 -6.081 -8.455 -16.212 1.00 0.84 O ATOM 0 H SER A 8 -4.722 -7.802 -14.180 1.00 0.67 H new ATOM 0 HA SER A 8 -5.287 -5.900 -16.284 1.00 0.67 H new ATOM 0 HB2 SER A 8 -7.005 -7.737 -14.507 1.00 0.74 H new ATOM 0 HB3 SER A 8 -7.558 -7.022 -16.009 1.00 0.74 H new ATOM 0 HG SER A 8 -5.761 -9.139 -15.587 1.00 0.84 H new ATOM 125 N SER A 9 -6.025 -4.891 -13.348 1.00 0.60 N ATOM 126 CA SER A 9 -6.600 -3.734 -12.597 1.00 0.63 C ATOM 127 C SER A 9 -8.053 -3.471 -13.014 1.00 0.69 C ATOM 128 O SER A 9 -8.357 -2.476 -13.641 1.00 0.83 O ATOM 129 CB SER A 9 -5.709 -2.543 -12.955 1.00 0.72 C ATOM 130 OG SER A 9 -5.854 -2.240 -14.337 1.00 0.80 O ATOM 0 H SER A 9 -5.434 -5.512 -12.795 1.00 0.60 H new ATOM 0 HA SER A 9 -6.621 -3.921 -11.523 1.00 0.63 H new ATOM 0 HB2 SER A 9 -5.981 -1.677 -12.352 1.00 0.72 H new ATOM 0 HB3 SER A 9 -4.668 -2.774 -12.730 1.00 0.72 H new ATOM 0 HG SER A 9 -6.655 -2.683 -14.687 1.00 0.80 H new ATOM 136 N THR A 10 -8.953 -4.350 -12.661 1.00 0.62 N ATOM 137 CA THR A 10 -10.389 -4.146 -13.028 1.00 0.68 C ATOM 138 C THR A 10 -11.292 -4.526 -11.851 1.00 0.65 C ATOM 139 O THR A 10 -10.951 -5.390 -11.068 1.00 0.65 O ATOM 140 CB THR A 10 -10.636 -5.090 -14.204 1.00 0.71 C ATOM 141 OG1 THR A 10 -11.942 -4.870 -14.717 1.00 0.64 O ATOM 142 CG2 THR A 10 -10.512 -6.539 -13.731 1.00 0.74 C ATOM 0 H THR A 10 -8.758 -5.201 -12.134 1.00 0.62 H new ATOM 0 HA THR A 10 -10.605 -3.108 -13.281 1.00 0.68 H new ATOM 0 HB THR A 10 -9.900 -4.900 -14.985 1.00 0.71 H new ATOM 0 HG1 THR A 10 -12.103 -5.473 -15.473 1.00 0.64 H new ATOM 0 HG21 THR A 10 -10.688 -7.212 -14.570 1.00 0.74 H new ATOM 0 HG22 THR A 10 -9.511 -6.708 -13.334 1.00 0.74 H new ATOM 0 HG23 THR A 10 -11.248 -6.731 -12.951 1.00 0.74 H new ATOM 150 N PRO A 11 -12.421 -3.874 -11.769 1.00 0.65 N ATOM 151 CA PRO A 11 -13.383 -4.166 -10.676 1.00 0.62 C ATOM 152 C PRO A 11 -13.991 -5.557 -10.873 1.00 0.57 C ATOM 153 O PRO A 11 -14.529 -5.865 -11.918 1.00 0.66 O ATOM 154 CB PRO A 11 -14.441 -3.073 -10.829 1.00 0.72 C ATOM 155 CG PRO A 11 -14.351 -2.654 -12.261 1.00 0.79 C ATOM 156 CD PRO A 11 -12.911 -2.823 -12.669 1.00 0.75 C ATOM 0 HA PRO A 11 -12.930 -4.169 -9.685 1.00 0.62 H new ATOM 0 HB2 PRO A 11 -15.436 -3.448 -10.588 1.00 0.72 H new ATOM 0 HB3 PRO A 11 -14.245 -2.236 -10.159 1.00 0.72 H new ATOM 0 HG2 PRO A 11 -15.005 -3.264 -12.885 1.00 0.79 H new ATOM 0 HG3 PRO A 11 -14.669 -1.619 -12.383 1.00 0.79 H new ATOM 0 HD2 PRO A 11 -12.822 -3.117 -13.715 1.00 0.75 H new ATOM 0 HD3 PRO A 11 -12.348 -1.897 -12.549 1.00 0.75 H new ATOM 164 N GLN A 12 -13.908 -6.403 -9.880 1.00 0.48 N ATOM 165 CA GLN A 12 -14.479 -7.773 -10.022 1.00 0.42 C ATOM 166 C GLN A 12 -15.282 -8.146 -8.774 1.00 0.40 C ATOM 167 O GLN A 12 -16.445 -7.818 -8.651 1.00 0.41 O ATOM 168 CB GLN A 12 -13.268 -8.697 -10.172 1.00 0.42 C ATOM 169 CG GLN A 12 -12.867 -8.797 -11.646 1.00 0.48 C ATOM 170 CD GLN A 12 -13.093 -10.230 -12.138 1.00 0.66 C ATOM 171 OE1 GLN A 12 -13.902 -10.951 -11.589 1.00 0.85 O ATOM 172 NE2 GLN A 12 -12.409 -10.675 -13.156 1.00 0.86 N ATOM 0 H GLN A 12 -13.471 -6.205 -8.980 1.00 0.48 H new ATOM 0 HA GLN A 12 -15.158 -7.848 -10.872 1.00 0.42 H new ATOM 0 HB2 GLN A 12 -12.433 -8.315 -9.584 1.00 0.42 H new ATOM 0 HB3 GLN A 12 -13.505 -9.687 -9.783 1.00 0.42 H new ATOM 0 HG2 GLN A 12 -13.455 -8.099 -12.242 1.00 0.48 H new ATOM 0 HG3 GLN A 12 -11.820 -8.519 -11.769 1.00 0.48 H new ATOM 0 HE21 GLN A 12 -11.730 -10.070 -13.617 1.00 0.86 H new ATOM 0 HE22 GLN A 12 -12.554 -11.628 -13.490 1.00 0.86 H new ATOM 181 N THR A 13 -14.678 -8.853 -7.857 1.00 0.43 N ATOM 182 CA THR A 13 -15.404 -9.268 -6.640 1.00 0.44 C ATOM 183 C THR A 13 -14.443 -9.406 -5.473 1.00 0.41 C ATOM 184 O THR A 13 -13.284 -9.053 -5.555 1.00 0.43 O ATOM 185 CB THR A 13 -15.903 -10.645 -6.994 1.00 0.42 C ATOM 186 OG1 THR A 13 -16.186 -10.704 -8.385 1.00 0.47 O ATOM 187 CG2 THR A 13 -17.158 -10.978 -6.188 1.00 0.45 C ATOM 0 H THR A 13 -13.706 -9.159 -7.906 1.00 0.43 H new ATOM 0 HA THR A 13 -16.181 -8.559 -6.356 1.00 0.44 H new ATOM 0 HB THR A 13 -15.132 -11.377 -6.752 1.00 0.42 H new ATOM 0 HG1 THR A 13 -16.509 -11.600 -8.615 1.00 0.47 H new ATOM 0 HG21 THR A 13 -17.507 -11.976 -6.454 1.00 0.45 H new ATOM 0 HG22 THR A 13 -16.926 -10.947 -5.124 1.00 0.45 H new ATOM 0 HG23 THR A 13 -17.937 -10.249 -6.411 1.00 0.45 H new ATOM 195 N CYS A 14 -14.917 -9.971 -4.403 1.00 0.43 N ATOM 196 CA CYS A 14 -14.047 -10.201 -3.230 1.00 0.44 C ATOM 197 C CYS A 14 -14.869 -10.829 -2.103 1.00 0.42 C ATOM 198 O CYS A 14 -15.177 -10.180 -1.123 1.00 0.46 O ATOM 199 CB CYS A 14 -13.527 -8.821 -2.818 1.00 0.51 C ATOM 200 SG CYS A 14 -11.869 -8.986 -2.114 1.00 0.47 S ATOM 0 H CYS A 14 -15.881 -10.286 -4.293 1.00 0.43 H new ATOM 0 HA CYS A 14 -13.223 -10.879 -3.453 1.00 0.44 H new ATOM 0 HB2 CYS A 14 -13.502 -8.157 -3.682 1.00 0.51 H new ATOM 0 HB3 CYS A 14 -14.200 -8.370 -2.089 1.00 0.51 H new ATOM 205 N PRO A 15 -15.207 -12.076 -2.289 1.00 0.44 N ATOM 206 CA PRO A 15 -16.017 -12.802 -1.284 1.00 0.42 C ATOM 207 C PRO A 15 -15.168 -13.168 -0.064 1.00 0.40 C ATOM 208 O PRO A 15 -14.597 -14.238 0.014 1.00 0.43 O ATOM 209 CB PRO A 15 -16.472 -14.055 -2.030 1.00 0.45 C ATOM 210 CG PRO A 15 -15.450 -14.267 -3.100 1.00 0.52 C ATOM 211 CD PRO A 15 -14.867 -12.917 -3.440 1.00 0.56 C ATOM 0 HA PRO A 15 -16.850 -12.212 -0.901 1.00 0.42 H new ATOM 0 HB2 PRO A 15 -16.526 -14.914 -1.361 1.00 0.45 H new ATOM 0 HB3 PRO A 15 -17.466 -13.920 -2.456 1.00 0.45 H new ATOM 0 HG2 PRO A 15 -14.670 -14.947 -2.757 1.00 0.52 H new ATOM 0 HG3 PRO A 15 -15.904 -14.722 -3.980 1.00 0.52 H new ATOM 0 HD2 PRO A 15 -13.788 -12.975 -3.586 1.00 0.56 H new ATOM 0 HD3 PRO A 15 -15.292 -12.521 -4.362 1.00 0.56 H new ATOM 219 N ASN A 16 -15.089 -12.287 0.894 1.00 0.38 N ATOM 220 CA ASN A 16 -14.286 -12.581 2.115 1.00 0.37 C ATOM 221 C ASN A 16 -14.734 -11.677 3.268 1.00 0.40 C ATOM 222 O ASN A 16 -15.051 -12.144 4.344 1.00 0.49 O ATOM 223 CB ASN A 16 -12.835 -12.283 1.728 1.00 0.38 C ATOM 224 CG ASN A 16 -12.009 -13.568 1.827 1.00 0.52 C ATOM 225 OD1 ASN A 16 -12.302 -14.430 2.631 1.00 0.94 O ATOM 226 ND2 ASN A 16 -10.981 -13.734 1.040 1.00 0.88 N ATOM 0 H ASN A 16 -15.546 -11.375 0.885 1.00 0.38 H new ATOM 0 HA ASN A 16 -14.408 -13.611 2.450 1.00 0.37 H new ATOM 0 HB2 ASN A 16 -12.792 -11.887 0.714 1.00 0.38 H new ATOM 0 HB3 ASN A 16 -12.421 -11.519 2.386 1.00 0.38 H new ATOM 0 HD21 ASN A 16 -10.425 -14.587 1.101 1.00 0.88 H new ATOM 0 HD22 ASN A 16 -10.734 -13.011 0.364 1.00 0.88 H new ATOM 233 N GLY A 17 -14.766 -10.390 3.050 1.00 0.40 N ATOM 234 CA GLY A 17 -15.196 -9.458 4.134 1.00 0.47 C ATOM 235 C GLY A 17 -16.163 -8.418 3.562 1.00 0.45 C ATOM 236 O GLY A 17 -16.630 -8.539 2.446 1.00 0.48 O ATOM 0 H GLY A 17 -14.513 -9.943 2.169 1.00 0.40 H new ATOM 0 HA2 GLY A 17 -15.678 -10.015 4.937 1.00 0.47 H new ATOM 0 HA3 GLY A 17 -14.327 -8.962 4.567 1.00 0.47 H new ATOM 240 N GLN A 18 -16.470 -7.397 4.316 1.00 0.45 N ATOM 241 CA GLN A 18 -17.410 -6.355 3.808 1.00 0.45 C ATOM 242 C GLN A 18 -16.710 -4.992 3.728 1.00 0.39 C ATOM 243 O GLN A 18 -16.163 -4.503 4.697 1.00 0.49 O ATOM 244 CB GLN A 18 -18.548 -6.317 4.829 1.00 0.47 C ATOM 245 CG GLN A 18 -19.221 -7.692 4.904 1.00 0.57 C ATOM 246 CD GLN A 18 -19.722 -8.101 3.519 1.00 0.61 C ATOM 247 OE1 GLN A 18 -20.096 -7.261 2.725 1.00 0.65 O ATOM 248 NE2 GLN A 18 -19.747 -9.365 3.190 1.00 0.68 N ATOM 0 H GLN A 18 -16.113 -7.239 5.258 1.00 0.45 H new ATOM 0 HA GLN A 18 -17.769 -6.581 2.804 1.00 0.45 H new ATOM 0 HB2 GLN A 18 -18.161 -6.037 5.809 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -19.278 -5.559 4.546 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -18.514 -8.433 5.278 1.00 0.57 H new ATOM 0 HG3 GLN A 18 -20.053 -7.662 5.607 1.00 0.57 H new ATOM 0 HE21 GLN A 18 -19.433 -10.071 3.855 1.00 0.68 H new ATOM 0 HE22 GLN A 18 -20.080 -9.645 2.268 1.00 0.68 H new ATOM 257 N ASP A 19 -16.729 -4.381 2.574 1.00 0.33 N ATOM 258 CA ASP A 19 -16.078 -3.047 2.403 1.00 0.31 C ATOM 259 C ASP A 19 -14.652 -3.057 2.963 1.00 0.30 C ATOM 260 O ASP A 19 -14.197 -2.087 3.534 1.00 0.38 O ATOM 261 CB ASP A 19 -16.958 -2.071 3.185 1.00 0.33 C ATOM 262 CG ASP A 19 -18.340 -2.004 2.536 1.00 0.29 C ATOM 263 OD1 ASP A 19 -18.415 -1.588 1.392 1.00 0.37 O ATOM 264 OD2 ASP A 19 -19.301 -2.372 3.192 1.00 0.43 O ATOM 0 H ASP A 19 -17.172 -4.752 1.733 1.00 0.33 H new ATOM 0 HA ASP A 19 -15.993 -2.770 1.352 1.00 0.31 H new ATOM 0 HB2 ASP A 19 -17.046 -2.394 4.222 1.00 0.33 H new ATOM 0 HB3 ASP A 19 -16.501 -1.081 3.197 1.00 0.33 H new ATOM 269 N ILE A 20 -13.939 -4.139 2.798 1.00 0.25 N ATOM 270 CA ILE A 20 -12.540 -4.192 3.322 1.00 0.24 C ATOM 271 C ILE A 20 -11.581 -4.743 2.258 1.00 0.25 C ATOM 272 O ILE A 20 -11.991 -5.367 1.300 1.00 0.33 O ATOM 273 CB ILE A 20 -12.595 -5.118 4.540 1.00 0.26 C ATOM 274 CG1 ILE A 20 -13.178 -6.478 4.143 1.00 0.29 C ATOM 275 CG2 ILE A 20 -13.475 -4.485 5.615 1.00 0.26 C ATOM 276 CD1 ILE A 20 -12.070 -7.353 3.559 1.00 0.34 C ATOM 0 H ILE A 20 -14.261 -4.984 2.326 1.00 0.25 H new ATOM 0 HA ILE A 20 -12.170 -3.202 3.587 1.00 0.24 H new ATOM 0 HB ILE A 20 -11.585 -5.262 4.924 1.00 0.26 H new ATOM 0 HG12 ILE A 20 -13.621 -6.964 5.012 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -13.975 -6.345 3.412 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -13.517 -5.141 6.484 1.00 0.26 H new ATOM 0 HG22 ILE A 20 -13.056 -3.522 5.907 1.00 0.26 H new ATOM 0 HG23 ILE A 20 -14.481 -4.339 5.222 1.00 0.26 H new ATOM 0 HD11 ILE A 20 -12.482 -8.321 3.276 1.00 0.34 H new ATOM 0 HD12 ILE A 20 -11.648 -6.867 2.679 1.00 0.34 H new ATOM 0 HD13 ILE A 20 -11.288 -7.496 4.305 1.00 0.34 H new ATOM 288 N CYS A 21 -10.304 -4.511 2.424 1.00 0.21 N ATOM 289 CA CYS A 21 -9.308 -5.014 1.431 1.00 0.22 C ATOM 290 C CYS A 21 -7.906 -4.508 1.792 1.00 0.19 C ATOM 291 O CYS A 21 -7.732 -3.375 2.197 1.00 0.23 O ATOM 292 CB CYS A 21 -9.756 -4.443 0.082 1.00 0.27 C ATOM 293 SG CYS A 21 -9.641 -5.732 -1.188 1.00 0.30 S ATOM 0 H CYS A 21 -9.907 -3.993 3.208 1.00 0.21 H new ATOM 0 HA CYS A 21 -9.261 -6.103 1.411 1.00 0.22 H new ATOM 0 HB2 CYS A 21 -10.780 -4.077 0.152 1.00 0.27 H new ATOM 0 HB3 CYS A 21 -9.131 -3.592 -0.190 1.00 0.27 H new ATOM 298 N PHE A 22 -6.904 -5.332 1.638 1.00 0.22 N ATOM 299 CA PHE A 22 -5.526 -4.902 1.956 1.00 0.22 C ATOM 300 C PHE A 22 -4.517 -5.812 1.249 1.00 0.22 C ATOM 301 O PHE A 22 -4.882 -6.730 0.540 1.00 0.27 O ATOM 302 CB PHE A 22 -5.402 -5.007 3.482 1.00 0.23 C ATOM 303 CG PHE A 22 -5.059 -6.425 3.889 1.00 0.20 C ATOM 304 CD1 PHE A 22 -5.880 -7.494 3.507 1.00 0.35 C ATOM 305 CD2 PHE A 22 -3.908 -6.667 4.651 1.00 0.30 C ATOM 306 CE1 PHE A 22 -5.548 -8.802 3.886 1.00 0.42 C ATOM 307 CE2 PHE A 22 -3.578 -7.974 5.029 1.00 0.41 C ATOM 308 CZ PHE A 22 -4.398 -9.041 4.647 1.00 0.42 C ATOM 0 H PHE A 22 -6.990 -6.291 1.302 1.00 0.22 H new ATOM 0 HA PHE A 22 -5.321 -3.886 1.618 1.00 0.22 H new ATOM 0 HB2 PHE A 22 -4.631 -4.323 3.838 1.00 0.23 H new ATOM 0 HB3 PHE A 22 -6.338 -4.704 3.951 1.00 0.23 H new ATOM 0 HD1 PHE A 22 -6.768 -7.310 2.921 1.00 0.35 H new ATOM 0 HD2 PHE A 22 -3.275 -5.844 4.947 1.00 0.30 H new ATOM 0 HE1 PHE A 22 -6.180 -9.626 3.590 1.00 0.42 H new ATOM 0 HE2 PHE A 22 -2.690 -8.158 5.616 1.00 0.41 H new ATOM 0 HZ PHE A 22 -4.144 -10.049 4.939 1.00 0.42 H new ATOM 318 N LEU A 23 -3.254 -5.563 1.433 1.00 0.20 N ATOM 319 CA LEU A 23 -2.227 -6.420 0.768 1.00 0.22 C ATOM 320 C LEU A 23 -1.271 -7.002 1.815 1.00 0.18 C ATOM 321 O LEU A 23 -0.898 -6.338 2.762 1.00 0.23 O ATOM 322 CB LEU A 23 -1.478 -5.483 -0.180 1.00 0.27 C ATOM 323 CG LEU A 23 -0.579 -6.304 -1.108 1.00 0.25 C ATOM 324 CD1 LEU A 23 -0.543 -5.657 -2.492 1.00 0.28 C ATOM 325 CD2 LEU A 23 0.836 -6.346 -0.532 1.00 0.35 C ATOM 0 H LEU A 23 -2.885 -4.808 2.011 1.00 0.20 H new ATOM 0 HA LEU A 23 -2.672 -7.262 0.238 1.00 0.22 H new ATOM 0 HB2 LEU A 23 -2.187 -4.900 -0.767 1.00 0.27 H new ATOM 0 HB3 LEU A 23 -0.878 -4.775 0.391 1.00 0.27 H new ATOM 0 HG LEU A 23 -0.973 -7.317 -1.192 1.00 0.25 H new ATOM 0 HD11 LEU A 23 0.098 -6.243 -3.151 1.00 0.28 H new ATOM 0 HD12 LEU A 23 -1.552 -5.622 -2.904 1.00 0.28 H new ATOM 0 HD13 LEU A 23 -0.149 -4.644 -2.410 1.00 0.28 H new ATOM 0 HD21 LEU A 23 1.480 -6.930 -1.190 1.00 0.35 H new ATOM 0 HD22 LEU A 23 1.226 -5.331 -0.450 1.00 0.35 H new ATOM 0 HD23 LEU A 23 0.813 -6.807 0.456 1.00 0.35 H new ATOM 337 N LYS A 24 -0.870 -8.236 1.660 1.00 0.19 N ATOM 338 CA LYS A 24 0.060 -8.845 2.658 1.00 0.21 C ATOM 339 C LYS A 24 1.353 -9.311 1.975 1.00 0.25 C ATOM 340 O LYS A 24 1.341 -10.195 1.141 1.00 0.30 O ATOM 341 CB LYS A 24 -0.702 -10.042 3.235 1.00 0.25 C ATOM 342 CG LYS A 24 0.014 -10.547 4.492 1.00 0.35 C ATOM 343 CD LYS A 24 -0.655 -11.834 4.991 1.00 0.43 C ATOM 344 CE LYS A 24 -0.918 -11.721 6.496 1.00 0.52 C ATOM 345 NZ LYS A 24 -1.404 -13.069 6.909 1.00 0.72 N ATOM 0 H LYS A 24 -1.144 -8.847 0.890 1.00 0.19 H new ATOM 0 HA LYS A 24 0.351 -8.134 3.431 1.00 0.21 H new ATOM 0 HB2 LYS A 24 -1.725 -9.753 3.478 1.00 0.25 H new ATOM 0 HB3 LYS A 24 -0.763 -10.839 2.494 1.00 0.25 H new ATOM 0 HG2 LYS A 24 1.065 -10.735 4.272 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -0.018 -9.785 5.270 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -1.592 -12.000 4.459 1.00 0.43 H new ATOM 0 HD3 LYS A 24 -0.015 -12.692 4.786 1.00 0.43 H new ATOM 0 HE2 LYS A 24 -0.011 -11.447 7.035 1.00 0.52 H new ATOM 0 HE3 LYS A 24 -1.660 -10.952 6.710 1.00 0.52 H new ATOM 0 HZ1 LYS A 24 -1.605 -13.068 7.929 1.00 0.72 H new ATOM 0 HZ2 LYS A 24 -2.272 -13.300 6.385 1.00 0.72 H new ATOM 0 HZ3 LYS A 24 -0.674 -13.780 6.701 1.00 0.72 H new ATOM 359 N ALA A 25 2.468 -8.730 2.332 1.00 0.30 N ATOM 360 CA ALA A 25 3.763 -9.146 1.714 1.00 0.36 C ATOM 361 C ALA A 25 4.756 -9.537 2.809 1.00 0.40 C ATOM 362 O ALA A 25 5.102 -8.741 3.659 1.00 0.48 O ATOM 363 CB ALA A 25 4.260 -7.918 0.949 1.00 0.37 C ATOM 0 H ALA A 25 2.539 -7.985 3.025 1.00 0.30 H new ATOM 0 HA ALA A 25 3.651 -10.008 1.056 1.00 0.36 H new ATOM 0 HB1 ALA A 25 5.210 -8.149 0.467 1.00 0.37 H new ATOM 0 HB2 ALA A 25 3.527 -7.640 0.191 1.00 0.37 H new ATOM 0 HB3 ALA A 25 4.397 -7.088 1.642 1.00 0.37 H new ATOM 369 N GLN A 26 5.211 -10.758 2.801 1.00 0.42 N ATOM 370 CA GLN A 26 6.171 -11.197 3.854 1.00 0.47 C ATOM 371 C GLN A 26 7.318 -12.004 3.241 1.00 0.44 C ATOM 372 O GLN A 26 7.228 -12.489 2.130 1.00 0.47 O ATOM 373 CB GLN A 26 5.344 -12.073 4.794 1.00 0.57 C ATOM 374 CG GLN A 26 4.923 -13.342 4.056 1.00 0.59 C ATOM 375 CD GLN A 26 3.591 -13.846 4.615 1.00 0.93 C ATOM 376 OE1 GLN A 26 2.749 -13.063 5.006 1.00 1.01 O ATOM 377 NE2 GLN A 26 3.362 -15.127 4.665 1.00 1.27 N ATOM 0 H GLN A 26 4.962 -11.470 2.114 1.00 0.42 H new ATOM 0 HA GLN A 26 6.628 -10.352 4.369 1.00 0.47 H new ATOM 0 HB2 GLN A 26 5.927 -12.329 5.679 1.00 0.57 H new ATOM 0 HB3 GLN A 26 4.464 -11.529 5.138 1.00 0.57 H new ATOM 0 HG2 GLN A 26 4.827 -13.139 2.989 1.00 0.59 H new ATOM 0 HG3 GLN A 26 5.689 -14.110 4.167 1.00 0.59 H new ATOM 0 HE21 GLN A 26 4.069 -15.785 4.337 1.00 1.27 H new ATOM 0 HE22 GLN A 26 2.476 -15.473 5.033 1.00 1.27 H new ATOM 386 N CYS A 27 8.396 -12.144 3.964 1.00 0.46 N ATOM 387 CA CYS A 27 9.563 -12.914 3.441 1.00 0.42 C ATOM 388 C CYS A 27 9.622 -14.294 4.107 1.00 0.39 C ATOM 389 O CYS A 27 9.412 -14.427 5.295 1.00 0.45 O ATOM 390 CB CYS A 27 10.785 -12.079 3.825 1.00 0.42 C ATOM 391 SG CYS A 27 12.261 -12.783 3.053 1.00 0.43 S ATOM 0 H CYS A 27 8.520 -11.756 4.899 1.00 0.46 H new ATOM 0 HA CYS A 27 9.505 -13.082 2.366 1.00 0.42 H new ATOM 0 HB2 CYS A 27 10.650 -11.047 3.502 1.00 0.42 H new ATOM 0 HB3 CYS A 27 10.901 -12.062 4.909 1.00 0.42 H new ATOM 396 N ASP A 28 9.902 -15.323 3.350 1.00 0.37 N ATOM 397 CA ASP A 28 9.965 -16.690 3.949 1.00 0.38 C ATOM 398 C ASP A 28 11.354 -17.314 3.770 1.00 0.29 C ATOM 399 O ASP A 28 11.919 -17.304 2.695 1.00 0.32 O ATOM 400 CB ASP A 28 8.910 -17.502 3.196 1.00 0.48 C ATOM 401 CG ASP A 28 7.512 -17.038 3.612 1.00 0.58 C ATOM 402 OD1 ASP A 28 7.369 -16.596 4.742 1.00 0.77 O ATOM 403 OD2 ASP A 28 6.608 -17.138 2.798 1.00 0.59 O ATOM 0 H ASP A 28 10.089 -15.277 2.348 1.00 0.37 H new ATOM 0 HA ASP A 28 9.780 -16.666 5.023 1.00 0.38 H new ATOM 0 HB2 ASP A 28 9.040 -17.378 2.121 1.00 0.48 H new ATOM 0 HB3 ASP A 28 9.031 -18.564 3.412 1.00 0.48 H new ATOM 408 N LYS A 29 11.888 -17.871 4.826 1.00 0.29 N ATOM 409 CA LYS A 29 13.234 -18.527 4.771 1.00 0.25 C ATOM 410 C LYS A 29 14.158 -17.881 3.735 1.00 0.26 C ATOM 411 O LYS A 29 14.318 -18.371 2.635 1.00 0.32 O ATOM 412 CB LYS A 29 12.949 -19.980 4.404 1.00 0.28 C ATOM 413 CG LYS A 29 13.123 -20.854 5.646 1.00 0.36 C ATOM 414 CD LYS A 29 11.847 -20.806 6.485 1.00 0.40 C ATOM 415 CE LYS A 29 11.848 -21.972 7.473 1.00 0.48 C ATOM 416 NZ LYS A 29 12.696 -21.514 8.608 1.00 0.91 N ATOM 0 H LYS A 29 11.441 -17.901 5.742 1.00 0.29 H new ATOM 0 HA LYS A 29 13.755 -18.427 5.723 1.00 0.25 H new ATOM 0 HB2 LYS A 29 11.936 -20.077 4.015 1.00 0.28 H new ATOM 0 HB3 LYS A 29 13.626 -20.308 3.616 1.00 0.28 H new ATOM 0 HG2 LYS A 29 13.340 -21.881 5.353 1.00 0.36 H new ATOM 0 HG3 LYS A 29 13.971 -20.504 6.234 1.00 0.36 H new ATOM 0 HD2 LYS A 29 11.787 -19.859 7.022 1.00 0.40 H new ATOM 0 HD3 LYS A 29 10.971 -20.862 5.839 1.00 0.40 H new ATOM 0 HE2 LYS A 29 10.837 -22.208 7.806 1.00 0.48 H new ATOM 0 HE3 LYS A 29 12.253 -22.875 7.017 1.00 0.48 H new ATOM 0 HZ1 LYS A 29 12.745 -22.262 9.329 1.00 0.91 H new ATOM 0 HZ2 LYS A 29 13.654 -21.303 8.263 1.00 0.91 H new ATOM 0 HZ3 LYS A 29 12.282 -20.657 9.027 1.00 0.91 H new ATOM 430 N PHE A 30 14.793 -16.801 4.096 1.00 0.26 N ATOM 431 CA PHE A 30 15.744 -16.127 3.157 1.00 0.31 C ATOM 432 C PHE A 30 15.121 -15.939 1.769 1.00 0.31 C ATOM 433 O PHE A 30 15.361 -16.715 0.865 1.00 0.36 O ATOM 434 CB PHE A 30 16.960 -17.057 3.057 1.00 0.41 C ATOM 435 CG PHE A 30 17.178 -17.803 4.357 1.00 0.43 C ATOM 436 CD1 PHE A 30 17.091 -17.131 5.582 1.00 0.42 C ATOM 437 CD2 PHE A 30 17.477 -19.172 4.332 1.00 0.60 C ATOM 438 CE1 PHE A 30 17.299 -17.829 6.779 1.00 0.43 C ATOM 439 CE2 PHE A 30 17.686 -19.867 5.528 1.00 0.67 C ATOM 440 CZ PHE A 30 17.598 -19.196 6.752 1.00 0.54 C ATOM 0 H PHE A 30 14.696 -16.351 5.006 1.00 0.26 H new ATOM 0 HA PHE A 30 16.009 -15.135 3.522 1.00 0.31 H new ATOM 0 HB2 PHE A 30 16.813 -17.769 2.245 1.00 0.41 H new ATOM 0 HB3 PHE A 30 17.849 -16.475 2.813 1.00 0.41 H new ATOM 0 HD1 PHE A 30 16.864 -16.075 5.604 1.00 0.42 H new ATOM 0 HD2 PHE A 30 17.546 -19.691 3.388 1.00 0.60 H new ATOM 0 HE1 PHE A 30 17.228 -17.311 7.724 1.00 0.43 H new ATOM 0 HE2 PHE A 30 17.915 -20.922 5.506 1.00 0.67 H new ATOM 0 HZ PHE A 30 17.761 -19.732 7.675 1.00 0.54 H new ATOM 450 N CYS A 31 14.338 -14.910 1.590 1.00 0.29 N ATOM 451 CA CYS A 31 13.710 -14.661 0.264 1.00 0.31 C ATOM 452 C CYS A 31 14.697 -14.961 -0.873 1.00 0.33 C ATOM 453 O CYS A 31 14.307 -15.293 -1.974 1.00 0.49 O ATOM 454 CB CYS A 31 13.361 -13.175 0.272 1.00 0.34 C ATOM 455 SG CYS A 31 11.772 -12.928 1.101 1.00 0.40 S ATOM 0 H CYS A 31 14.106 -14.227 2.311 1.00 0.29 H new ATOM 0 HA CYS A 31 12.840 -15.297 0.102 1.00 0.31 H new ATOM 0 HB2 CYS A 31 14.141 -12.611 0.784 1.00 0.34 H new ATOM 0 HB3 CYS A 31 13.312 -12.797 -0.749 1.00 0.34 H new ATOM 460 N SER A 32 15.969 -14.833 -0.616 1.00 0.28 N ATOM 461 CA SER A 32 16.982 -15.100 -1.678 1.00 0.31 C ATOM 462 C SER A 32 16.793 -16.502 -2.263 1.00 0.28 C ATOM 463 O SER A 32 17.139 -16.762 -3.398 1.00 0.36 O ATOM 464 CB SER A 32 18.334 -14.996 -0.973 1.00 0.45 C ATOM 465 OG SER A 32 19.377 -15.164 -1.926 1.00 0.53 O ATOM 0 H SER A 32 16.353 -14.554 0.287 1.00 0.28 H new ATOM 0 HA SER A 32 16.896 -14.398 -2.508 1.00 0.31 H new ATOM 0 HB2 SER A 32 18.427 -14.027 -0.482 1.00 0.45 H new ATOM 0 HB3 SER A 32 18.411 -15.756 -0.195 1.00 0.45 H new ATOM 0 HG SER A 32 20.245 -15.096 -1.476 1.00 0.53 H new ATOM 471 N ILE A 33 16.260 -17.412 -1.494 1.00 0.30 N ATOM 472 CA ILE A 33 16.068 -18.799 -2.010 1.00 0.38 C ATOM 473 C ILE A 33 14.582 -19.167 -2.018 1.00 0.35 C ATOM 474 O ILE A 33 14.188 -20.185 -2.552 1.00 0.51 O ATOM 475 CB ILE A 33 16.840 -19.688 -1.037 1.00 0.51 C ATOM 476 CG1 ILE A 33 18.340 -19.422 -1.183 1.00 0.60 C ATOM 477 CG2 ILE A 33 16.549 -21.157 -1.349 1.00 0.76 C ATOM 478 CD1 ILE A 33 18.946 -19.148 0.196 1.00 0.69 C ATOM 0 H ILE A 33 15.950 -17.257 -0.535 1.00 0.30 H new ATOM 0 HA ILE A 33 16.421 -18.911 -3.035 1.00 0.38 H new ATOM 0 HB ILE A 33 16.530 -19.465 -0.016 1.00 0.51 H new ATOM 0 HG12 ILE A 33 18.829 -20.280 -1.643 1.00 0.60 H new ATOM 0 HG13 ILE A 33 18.507 -18.569 -1.841 1.00 0.60 H new ATOM 0 HG21 ILE A 33 17.100 -21.792 -0.655 1.00 0.76 H new ATOM 0 HG22 ILE A 33 15.481 -21.346 -1.245 1.00 0.76 H new ATOM 0 HG23 ILE A 33 16.859 -21.381 -2.370 1.00 0.76 H new ATOM 0 HD11 ILE A 33 20.014 -18.958 0.093 1.00 0.69 H new ATOM 0 HD12 ILE A 33 18.464 -18.276 0.639 1.00 0.69 H new ATOM 0 HD13 ILE A 33 18.792 -20.014 0.840 1.00 0.69 H new ATOM 490 N ARG A 34 13.755 -18.349 -1.431 1.00 0.26 N ATOM 491 CA ARG A 34 12.311 -18.642 -1.406 1.00 0.34 C ATOM 492 C ARG A 34 11.531 -17.517 -2.092 1.00 0.37 C ATOM 493 O ARG A 34 10.362 -17.654 -2.396 1.00 0.51 O ATOM 494 CB ARG A 34 11.945 -18.727 0.076 1.00 0.39 C ATOM 495 CG ARG A 34 12.855 -19.742 0.772 1.00 0.48 C ATOM 496 CD ARG A 34 12.528 -21.151 0.269 1.00 0.66 C ATOM 497 NE ARG A 34 13.579 -22.022 0.861 1.00 0.76 N ATOM 498 CZ ARG A 34 13.507 -23.316 0.718 1.00 1.00 C ATOM 499 NH1 ARG A 34 12.839 -24.034 1.581 1.00 1.18 N ATOM 500 NH2 ARG A 34 14.104 -23.893 -0.288 1.00 1.23 N ATOM 0 H ARG A 34 14.028 -17.484 -0.965 1.00 0.26 H new ATOM 0 HA ARG A 34 12.068 -19.563 -1.935 1.00 0.34 H new ATOM 0 HB2 ARG A 34 12.050 -17.748 0.544 1.00 0.39 H new ATOM 0 HB3 ARG A 34 10.902 -19.023 0.187 1.00 0.39 H new ATOM 0 HG2 ARG A 34 13.900 -19.506 0.572 1.00 0.48 H new ATOM 0 HG3 ARG A 34 12.718 -19.689 1.852 1.00 0.48 H new ATOM 0 HD2 ARG A 34 11.532 -21.462 0.585 1.00 0.66 H new ATOM 0 HD3 ARG A 34 12.545 -21.196 -0.820 1.00 0.66 H new ATOM 0 HE ARG A 34 14.355 -21.608 1.378 1.00 0.76 H new ATOM 0 HH11 ARG A 34 12.373 -23.582 2.368 1.00 1.18 H new ATOM 0 HH12 ARG A 34 12.783 -25.046 1.468 1.00 1.18 H new ATOM 0 HH21 ARG A 34 14.626 -23.332 -0.961 1.00 1.23 H new ATOM 0 HH22 ARG A 34 14.049 -24.905 -0.401 1.00 1.23 H new ATOM 514 N GLY A 35 12.170 -16.405 -2.330 1.00 0.33 N ATOM 515 CA GLY A 35 11.469 -15.268 -2.988 1.00 0.47 C ATOM 516 C GLY A 35 10.315 -14.808 -2.094 1.00 0.42 C ATOM 517 O GLY A 35 9.648 -15.615 -1.480 1.00 0.43 O ATOM 0 H GLY A 35 13.148 -16.235 -2.097 1.00 0.33 H new ATOM 0 HA2 GLY A 35 12.164 -14.446 -3.159 1.00 0.47 H new ATOM 0 HA3 GLY A 35 11.091 -15.573 -3.964 1.00 0.47 H new ATOM 521 N PRO A 36 10.122 -13.518 -2.047 1.00 0.52 N ATOM 522 CA PRO A 36 9.039 -12.940 -1.212 1.00 0.51 C ATOM 523 C PRO A 36 7.664 -13.268 -1.802 1.00 0.46 C ATOM 524 O PRO A 36 7.539 -13.606 -2.962 1.00 0.50 O ATOM 525 CB PRO A 36 9.301 -11.438 -1.273 1.00 0.58 C ATOM 526 CG PRO A 36 10.051 -11.240 -2.549 1.00 0.64 C ATOM 527 CD PRO A 36 10.878 -12.480 -2.756 1.00 0.73 C ATOM 0 HA PRO A 36 9.035 -13.332 -0.195 1.00 0.51 H new ATOM 0 HB2 PRO A 36 8.369 -10.872 -1.268 1.00 0.58 H new ATOM 0 HB3 PRO A 36 9.882 -11.101 -0.415 1.00 0.58 H new ATOM 0 HG2 PRO A 36 9.365 -11.088 -3.382 1.00 0.64 H new ATOM 0 HG3 PRO A 36 10.686 -10.356 -2.493 1.00 0.64 H new ATOM 0 HD2 PRO A 36 10.989 -12.716 -3.814 1.00 0.73 H new ATOM 0 HD3 PRO A 36 11.882 -12.365 -2.348 1.00 0.73 H new ATOM 535 N VAL A 37 6.633 -13.173 -1.008 1.00 0.45 N ATOM 536 CA VAL A 37 5.267 -13.480 -1.514 1.00 0.46 C ATOM 537 C VAL A 37 4.358 -12.261 -1.379 1.00 0.41 C ATOM 538 O VAL A 37 4.717 -11.259 -0.792 1.00 0.46 O ATOM 539 CB VAL A 37 4.792 -14.647 -0.640 1.00 0.56 C ATOM 540 CG1 VAL A 37 4.124 -14.124 0.636 1.00 0.60 C ATOM 541 CG2 VAL A 37 3.795 -15.499 -1.426 1.00 0.63 C ATOM 0 H VAL A 37 6.679 -12.895 -0.028 1.00 0.45 H new ATOM 0 HA VAL A 37 5.254 -13.738 -2.573 1.00 0.46 H new ATOM 0 HB VAL A 37 5.655 -15.252 -0.361 1.00 0.56 H new ATOM 0 HG11 VAL A 37 3.793 -14.966 1.245 1.00 0.60 H new ATOM 0 HG12 VAL A 37 4.838 -13.526 1.202 1.00 0.60 H new ATOM 0 HG13 VAL A 37 3.265 -13.508 0.371 1.00 0.60 H new ATOM 0 HG21 VAL A 37 3.457 -16.329 -0.805 1.00 0.63 H new ATOM 0 HG22 VAL A 37 2.939 -14.887 -1.711 1.00 0.63 H new ATOM 0 HG23 VAL A 37 4.277 -15.889 -2.322 1.00 0.63 H new ATOM 551 N ILE A 38 3.191 -12.333 -1.947 1.00 0.39 N ATOM 552 CA ILE A 38 2.264 -11.177 -1.886 1.00 0.36 C ATOM 553 C ILE A 38 0.806 -11.674 -1.915 1.00 0.28 C ATOM 554 O ILE A 38 0.378 -12.315 -2.855 1.00 0.32 O ATOM 555 CB ILE A 38 2.646 -10.382 -3.141 1.00 0.46 C ATOM 556 CG1 ILE A 38 3.573 -9.228 -2.746 1.00 0.46 C ATOM 557 CG2 ILE A 38 1.403 -9.814 -3.839 1.00 0.59 C ATOM 558 CD1 ILE A 38 4.951 -9.441 -3.377 1.00 0.47 C ATOM 0 H ILE A 38 2.839 -13.146 -2.452 1.00 0.39 H new ATOM 0 HA ILE A 38 2.339 -10.575 -0.980 1.00 0.36 H new ATOM 0 HB ILE A 38 3.152 -11.056 -3.833 1.00 0.46 H new ATOM 0 HG12 ILE A 38 3.152 -8.279 -3.078 1.00 0.46 H new ATOM 0 HG13 ILE A 38 3.662 -9.174 -1.661 1.00 0.46 H new ATOM 0 HG21 ILE A 38 1.706 -9.256 -4.725 1.00 0.59 H new ATOM 0 HG22 ILE A 38 0.745 -10.632 -4.133 1.00 0.59 H new ATOM 0 HG23 ILE A 38 0.873 -9.150 -3.156 1.00 0.59 H new ATOM 0 HD11 ILE A 38 5.611 -8.620 -3.096 1.00 0.47 H new ATOM 0 HD12 ILE A 38 5.372 -10.382 -3.023 1.00 0.47 H new ATOM 0 HD13 ILE A 38 4.853 -9.473 -4.462 1.00 0.47 H new ATOM 570 N GLU A 39 0.045 -11.388 -0.890 1.00 0.25 N ATOM 571 CA GLU A 39 -1.376 -11.848 -0.860 1.00 0.25 C ATOM 572 C GLU A 39 -2.319 -10.646 -0.722 1.00 0.26 C ATOM 573 O GLU A 39 -2.399 -10.031 0.321 1.00 0.33 O ATOM 574 CB GLU A 39 -1.465 -12.742 0.381 1.00 0.27 C ATOM 575 CG GLU A 39 -2.703 -13.637 0.291 1.00 0.39 C ATOM 576 CD GLU A 39 -2.412 -14.980 0.965 1.00 0.52 C ATOM 577 OE1 GLU A 39 -1.608 -14.996 1.883 1.00 0.56 O ATOM 578 OE2 GLU A 39 -2.997 -15.967 0.552 1.00 0.74 O ATOM 0 H GLU A 39 0.346 -10.856 -0.073 1.00 0.25 H new ATOM 0 HA GLU A 39 -1.664 -12.374 -1.770 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -0.568 -13.355 0.463 1.00 0.27 H new ATOM 0 HB3 GLU A 39 -1.515 -12.127 1.280 1.00 0.27 H new ATOM 0 HG2 GLU A 39 -3.551 -13.152 0.774 1.00 0.39 H new ATOM 0 HG3 GLU A 39 -2.977 -13.793 -0.752 1.00 0.39 H new ATOM 585 N GLN A 40 -3.035 -10.309 -1.763 1.00 0.27 N ATOM 586 CA GLN A 40 -3.969 -9.144 -1.680 1.00 0.28 C ATOM 587 C GLN A 40 -5.412 -9.587 -1.939 1.00 0.28 C ATOM 588 O GLN A 40 -5.677 -10.411 -2.789 1.00 0.48 O ATOM 589 CB GLN A 40 -3.503 -8.172 -2.766 1.00 0.31 C ATOM 590 CG GLN A 40 -4.278 -6.858 -2.633 1.00 0.29 C ATOM 591 CD GLN A 40 -3.581 -5.762 -3.442 1.00 0.33 C ATOM 592 OE1 GLN A 40 -3.157 -4.763 -2.894 1.00 0.41 O ATOM 593 NE2 GLN A 40 -3.440 -5.910 -4.731 1.00 0.40 N ATOM 0 H GLN A 40 -3.015 -10.787 -2.664 1.00 0.27 H new ATOM 0 HA GLN A 40 -3.955 -8.686 -0.691 1.00 0.28 H new ATOM 0 HB2 GLN A 40 -2.433 -7.988 -2.671 1.00 0.31 H new ATOM 0 HB3 GLN A 40 -3.666 -8.606 -3.753 1.00 0.31 H new ATOM 0 HG2 GLN A 40 -5.300 -6.990 -2.988 1.00 0.29 H new ATOM 0 HG3 GLN A 40 -4.340 -6.566 -1.585 1.00 0.29 H new ATOM 0 HE21 GLN A 40 -3.796 -6.748 -5.190 1.00 0.40 H new ATOM 0 HE22 GLN A 40 -2.974 -5.187 -5.279 1.00 0.40 H new ATOM 602 N GLY A 41 -6.343 -9.040 -1.207 1.00 0.28 N ATOM 603 CA GLY A 41 -7.773 -9.418 -1.399 1.00 0.31 C ATOM 604 C GLY A 41 -8.588 -8.884 -0.222 1.00 0.30 C ATOM 605 O GLY A 41 -8.360 -7.789 0.254 1.00 0.35 O ATOM 0 H GLY A 41 -6.175 -8.344 -0.481 1.00 0.28 H new ATOM 0 HA2 GLY A 41 -8.149 -9.007 -2.336 1.00 0.31 H new ATOM 0 HA3 GLY A 41 -7.871 -10.502 -1.465 1.00 0.31 H new ATOM 609 N CYS A 42 -9.533 -9.644 0.259 1.00 0.31 N ATOM 610 CA CYS A 42 -10.346 -9.163 1.414 1.00 0.33 C ATOM 611 C CYS A 42 -10.208 -10.121 2.598 1.00 0.36 C ATOM 612 O CYS A 42 -10.250 -11.327 2.447 1.00 0.52 O ATOM 613 CB CYS A 42 -11.788 -9.142 0.910 1.00 0.40 C ATOM 614 SG CYS A 42 -11.952 -7.908 -0.407 1.00 0.42 S ATOM 0 H CYS A 42 -9.777 -10.570 -0.093 1.00 0.31 H new ATOM 0 HA CYS A 42 -10.022 -8.182 1.760 1.00 0.33 H new ATOM 0 HB2 CYS A 42 -12.068 -10.127 0.537 1.00 0.40 H new ATOM 0 HB3 CYS A 42 -12.467 -8.907 1.729 1.00 0.40 H new ATOM 619 N VAL A 43 -10.054 -9.589 3.778 1.00 0.29 N ATOM 620 CA VAL A 43 -9.921 -10.455 4.983 1.00 0.33 C ATOM 621 C VAL A 43 -10.734 -9.863 6.139 1.00 0.29 C ATOM 622 O VAL A 43 -11.548 -10.533 6.744 1.00 0.35 O ATOM 623 CB VAL A 43 -8.431 -10.450 5.318 1.00 0.35 C ATOM 624 CG1 VAL A 43 -8.217 -11.053 6.706 1.00 0.45 C ATOM 625 CG2 VAL A 43 -7.677 -11.281 4.280 1.00 0.50 C ATOM 0 H VAL A 43 -10.014 -8.586 3.961 1.00 0.29 H new ATOM 0 HA VAL A 43 -10.291 -11.466 4.811 1.00 0.33 H new ATOM 0 HB VAL A 43 -8.059 -9.426 5.307 1.00 0.35 H new ATOM 0 HG11 VAL A 43 -7.153 -11.049 6.944 1.00 0.45 H new ATOM 0 HG12 VAL A 43 -8.757 -10.463 7.446 1.00 0.45 H new ATOM 0 HG13 VAL A 43 -8.588 -12.078 6.719 1.00 0.45 H new ATOM 0 HG21 VAL A 43 -6.613 -11.280 4.516 1.00 0.50 H new ATOM 0 HG22 VAL A 43 -8.050 -12.305 4.293 1.00 0.50 H new ATOM 0 HG23 VAL A 43 -7.830 -10.852 3.290 1.00 0.50 H new ATOM 635 N ALA A 44 -10.525 -8.610 6.444 1.00 0.25 N ATOM 636 CA ALA A 44 -11.291 -7.973 7.556 1.00 0.26 C ATOM 637 C ALA A 44 -10.704 -6.602 7.892 1.00 0.24 C ATOM 638 O ALA A 44 -11.150 -5.583 7.402 1.00 0.31 O ATOM 639 CB ALA A 44 -11.130 -8.918 8.746 1.00 0.37 C ATOM 0 H ALA A 44 -9.858 -8.000 5.972 1.00 0.25 H new ATOM 0 HA ALA A 44 -12.337 -7.818 7.291 1.00 0.26 H new ATOM 0 HB1 ALA A 44 -11.667 -8.516 9.605 1.00 0.37 H new ATOM 0 HB2 ALA A 44 -11.535 -9.897 8.490 1.00 0.37 H new ATOM 0 HB3 ALA A 44 -10.073 -9.016 8.993 1.00 0.37 H new ATOM 645 N THR A 45 -9.708 -6.573 8.728 1.00 0.29 N ATOM 646 CA THR A 45 -9.090 -5.274 9.102 1.00 0.39 C ATOM 647 C THR A 45 -7.580 -5.331 8.868 1.00 0.36 C ATOM 648 O THR A 45 -6.967 -6.377 8.962 1.00 0.46 O ATOM 649 CB THR A 45 -9.414 -5.100 10.588 1.00 0.48 C ATOM 650 OG1 THR A 45 -9.037 -3.797 11.003 1.00 0.61 O ATOM 651 CG2 THR A 45 -8.657 -6.141 11.417 1.00 0.48 C ATOM 0 H THR A 45 -9.294 -7.394 9.169 1.00 0.29 H new ATOM 0 HA THR A 45 -9.467 -4.440 8.510 1.00 0.39 H new ATOM 0 HB THR A 45 -10.485 -5.238 10.739 1.00 0.48 H new ATOM 0 HG1 THR A 45 -9.245 -3.683 11.954 1.00 0.61 H new ATOM 0 HG21 THR A 45 -8.895 -6.008 12.472 1.00 0.48 H new ATOM 0 HG22 THR A 45 -8.952 -7.142 11.102 1.00 0.48 H new ATOM 0 HG23 THR A 45 -7.585 -6.015 11.268 1.00 0.48 H new ATOM 659 N CYS A 46 -6.977 -4.219 8.553 1.00 0.34 N ATOM 660 CA CYS A 46 -5.510 -4.217 8.299 1.00 0.35 C ATOM 661 C CYS A 46 -4.764 -4.865 9.465 1.00 0.28 C ATOM 662 O CYS A 46 -5.061 -4.607 10.615 1.00 0.32 O ATOM 663 CB CYS A 46 -5.117 -2.744 8.196 1.00 0.47 C ATOM 664 SG CYS A 46 -5.475 -2.116 6.538 1.00 0.48 S ATOM 0 H CYS A 46 -7.436 -3.313 8.461 1.00 0.34 H new ATOM 0 HA CYS A 46 -5.260 -4.777 7.398 1.00 0.35 H new ATOM 0 HB2 CYS A 46 -5.662 -2.162 8.939 1.00 0.47 H new ATOM 0 HB3 CYS A 46 -4.056 -2.627 8.416 1.00 0.47 H new ATOM 669 N PRO A 47 -3.798 -5.670 9.124 1.00 0.33 N ATOM 670 CA PRO A 47 -2.973 -6.341 10.151 1.00 0.44 C ATOM 671 C PRO A 47 -2.082 -5.319 10.844 1.00 0.44 C ATOM 672 O PRO A 47 -2.129 -4.145 10.547 1.00 0.39 O ATOM 673 CB PRO A 47 -2.140 -7.340 9.350 1.00 0.56 C ATOM 674 CG PRO A 47 -2.089 -6.772 7.970 1.00 0.50 C ATOM 675 CD PRO A 47 -3.381 -6.029 7.764 1.00 0.45 C ATOM 0 HA PRO A 47 -3.559 -6.823 10.933 1.00 0.44 H new ATOM 0 HB2 PRO A 47 -1.140 -7.449 9.770 1.00 0.56 H new ATOM 0 HB3 PRO A 47 -2.597 -8.330 9.354 1.00 0.56 H new ATOM 0 HG2 PRO A 47 -1.235 -6.104 7.857 1.00 0.50 H new ATOM 0 HG3 PRO A 47 -1.974 -7.563 7.229 1.00 0.50 H new ATOM 0 HD2 PRO A 47 -3.239 -5.145 7.142 1.00 0.45 H new ATOM 0 HD3 PRO A 47 -4.126 -6.651 7.268 1.00 0.45 H new ATOM 683 N GLN A 48 -1.287 -5.765 11.776 1.00 0.61 N ATOM 684 CA GLN A 48 -0.385 -4.858 12.518 1.00 0.73 C ATOM 685 C GLN A 48 0.600 -4.185 11.559 1.00 0.65 C ATOM 686 O GLN A 48 1.799 -4.349 11.665 1.00 0.77 O ATOM 687 CB GLN A 48 0.358 -5.766 13.498 1.00 0.97 C ATOM 688 CG GLN A 48 -0.052 -5.433 14.934 1.00 1.04 C ATOM 689 CD GLN A 48 1.169 -4.924 15.703 1.00 0.97 C ATOM 690 OE1 GLN A 48 2.008 -5.700 16.118 1.00 1.10 O ATOM 691 NE2 GLN A 48 1.303 -3.644 15.914 1.00 1.41 N ATOM 0 H GLN A 48 -1.228 -6.744 12.057 1.00 0.61 H new ATOM 0 HA GLN A 48 -0.926 -4.059 13.025 1.00 0.73 H new ATOM 0 HB2 GLN A 48 0.134 -6.810 13.280 1.00 0.97 H new ATOM 0 HB3 GLN A 48 1.434 -5.639 13.380 1.00 0.97 H new ATOM 0 HG2 GLN A 48 -0.837 -4.677 14.934 1.00 1.04 H new ATOM 0 HG3 GLN A 48 -0.461 -6.318 15.422 1.00 1.04 H new ATOM 0 HE21 GLN A 48 0.599 -2.993 15.566 1.00 1.41 H new ATOM 0 HE22 GLN A 48 2.112 -3.294 16.427 1.00 1.41 H new ATOM 700 N PHE A 49 0.091 -3.436 10.626 1.00 0.48 N ATOM 701 CA PHE A 49 0.969 -2.738 9.637 1.00 0.40 C ATOM 702 C PHE A 49 2.235 -2.227 10.327 1.00 0.44 C ATOM 703 O PHE A 49 2.184 -1.675 11.409 1.00 0.56 O ATOM 704 CB PHE A 49 0.135 -1.559 9.132 1.00 0.41 C ATOM 705 CG PHE A 49 -0.477 -1.890 7.788 1.00 0.32 C ATOM 706 CD1 PHE A 49 -1.654 -2.648 7.718 1.00 0.28 C ATOM 707 CD2 PHE A 49 0.130 -1.431 6.610 1.00 0.36 C ATOM 708 CE1 PHE A 49 -2.220 -2.945 6.468 1.00 0.25 C ATOM 709 CE2 PHE A 49 -0.438 -1.731 5.363 1.00 0.36 C ATOM 710 CZ PHE A 49 -1.613 -2.487 5.295 1.00 0.28 C ATOM 0 H PHE A 49 -0.908 -3.272 10.501 1.00 0.48 H new ATOM 0 HA PHE A 49 1.284 -3.397 8.828 1.00 0.40 H new ATOM 0 HB2 PHE A 49 -0.651 -1.326 9.850 1.00 0.41 H new ATOM 0 HB3 PHE A 49 0.762 -0.671 9.046 1.00 0.41 H new ATOM 0 HD1 PHE A 49 -2.124 -3.003 8.623 1.00 0.28 H new ATOM 0 HD2 PHE A 49 1.036 -0.846 6.663 1.00 0.36 H new ATOM 0 HE1 PHE A 49 -3.127 -3.529 6.413 1.00 0.25 H new ATOM 0 HE2 PHE A 49 0.031 -1.379 4.456 1.00 0.36 H new ATOM 0 HZ PHE A 49 -2.052 -2.717 4.335 1.00 0.28 H new ATOM 720 N ARG A 50 3.374 -2.408 9.717 1.00 0.40 N ATOM 721 CA ARG A 50 4.633 -1.928 10.354 1.00 0.40 C ATOM 722 C ARG A 50 5.757 -1.792 9.322 1.00 0.36 C ATOM 723 O ARG A 50 5.695 -2.340 8.238 1.00 0.38 O ATOM 724 CB ARG A 50 4.978 -2.996 11.389 1.00 0.46 C ATOM 725 CG ARG A 50 5.160 -4.344 10.691 1.00 0.47 C ATOM 726 CD ARG A 50 6.059 -5.236 11.543 1.00 0.59 C ATOM 727 NE ARG A 50 5.414 -5.264 12.885 1.00 0.57 N ATOM 728 CZ ARG A 50 5.445 -6.355 13.597 1.00 0.67 C ATOM 729 NH1 ARG A 50 6.566 -7.010 13.735 1.00 0.73 N ATOM 730 NH2 ARG A 50 4.359 -6.793 14.172 1.00 0.86 N ATOM 0 H ARG A 50 3.488 -2.864 8.812 1.00 0.40 H new ATOM 0 HA ARG A 50 4.511 -0.942 10.801 1.00 0.40 H new ATOM 0 HB2 ARG A 50 5.891 -2.723 11.919 1.00 0.46 H new ATOM 0 HB3 ARG A 50 4.185 -3.065 12.134 1.00 0.46 H new ATOM 0 HG2 ARG A 50 4.192 -4.822 10.540 1.00 0.47 H new ATOM 0 HG3 ARG A 50 5.601 -4.199 9.705 1.00 0.47 H new ATOM 0 HD2 ARG A 50 6.135 -6.238 11.121 1.00 0.59 H new ATOM 0 HD3 ARG A 50 7.072 -4.836 11.600 1.00 0.59 H new ATOM 0 HE ARG A 50 4.949 -4.431 13.246 1.00 0.57 H new ATOM 0 HH11 ARG A 50 7.415 -6.668 13.286 1.00 0.73 H new ATOM 0 HH12 ARG A 50 6.592 -7.864 14.292 1.00 0.73 H new ATOM 0 HH21 ARG A 50 3.483 -6.281 14.065 1.00 0.86 H new ATOM 0 HH22 ARG A 50 4.386 -7.647 14.729 1.00 0.86 H new ATOM 744 N SER A 51 6.782 -1.053 9.658 1.00 0.32 N ATOM 745 CA SER A 51 7.925 -0.860 8.717 1.00 0.30 C ATOM 746 C SER A 51 8.836 -2.095 8.680 1.00 0.33 C ATOM 747 O SER A 51 9.961 -2.024 8.226 1.00 0.37 O ATOM 748 CB SER A 51 8.687 0.345 9.264 1.00 0.35 C ATOM 749 OG SER A 51 9.381 -0.037 10.445 1.00 0.44 O ATOM 0 H SER A 51 6.877 -0.571 10.552 1.00 0.32 H new ATOM 0 HA SER A 51 7.579 -0.707 7.695 1.00 0.30 H new ATOM 0 HB2 SER A 51 9.391 0.715 8.518 1.00 0.35 H new ATOM 0 HB3 SER A 51 7.996 1.159 9.481 1.00 0.35 H new ATOM 0 HG SER A 51 9.873 0.733 10.799 1.00 0.44 H new ATOM 755 N ASN A 52 8.377 -3.221 9.160 1.00 0.36 N ATOM 756 CA ASN A 52 9.240 -4.434 9.144 1.00 0.40 C ATOM 757 C ASN A 52 8.597 -5.532 8.293 1.00 0.38 C ATOM 758 O ASN A 52 8.723 -6.707 8.575 1.00 0.52 O ATOM 759 CB ASN A 52 9.343 -4.872 10.603 1.00 0.49 C ATOM 760 CG ASN A 52 10.682 -5.572 10.825 1.00 0.51 C ATOM 761 OD1 ASN A 52 11.490 -5.659 9.922 1.00 0.50 O ATOM 762 ND2 ASN A 52 10.954 -6.077 11.996 1.00 0.72 N ATOM 0 H ASN A 52 7.448 -3.351 9.560 1.00 0.36 H new ATOM 0 HA ASN A 52 10.221 -4.235 8.712 1.00 0.40 H new ATOM 0 HB2 ASN A 52 9.258 -4.007 11.261 1.00 0.49 H new ATOM 0 HB3 ASN A 52 8.522 -5.544 10.852 1.00 0.49 H new ATOM 0 HD21 ASN A 52 11.846 -6.546 12.155 1.00 0.72 H new ATOM 0 HD22 ASN A 52 10.275 -6.003 12.753 1.00 0.72 H new ATOM 769 N TYR A 53 7.925 -5.152 7.242 1.00 0.34 N ATOM 770 CA TYR A 53 7.286 -6.154 6.348 1.00 0.31 C ATOM 771 C TYR A 53 7.881 -6.006 4.949 1.00 0.38 C ATOM 772 O TYR A 53 8.986 -5.527 4.789 1.00 0.45 O ATOM 773 CB TYR A 53 5.796 -5.796 6.350 1.00 0.30 C ATOM 774 CG TYR A 53 5.028 -6.776 7.207 1.00 0.32 C ATOM 775 CD1 TYR A 53 5.374 -6.957 8.554 1.00 0.37 C ATOM 776 CD2 TYR A 53 3.961 -7.496 6.656 1.00 0.39 C ATOM 777 CE1 TYR A 53 4.650 -7.855 9.347 1.00 0.40 C ATOM 778 CE2 TYR A 53 3.239 -8.397 7.449 1.00 0.43 C ATOM 779 CZ TYR A 53 3.583 -8.575 8.795 1.00 0.38 C ATOM 780 OH TYR A 53 2.866 -9.457 9.578 1.00 0.43 O ATOM 0 H TYR A 53 7.791 -4.180 6.963 1.00 0.34 H new ATOM 0 HA TYR A 53 7.443 -7.184 6.669 1.00 0.31 H new ATOM 0 HB2 TYR A 53 5.658 -4.783 6.729 1.00 0.30 H new ATOM 0 HB3 TYR A 53 5.409 -5.811 5.331 1.00 0.30 H new ATOM 0 HD1 TYR A 53 6.198 -6.404 8.979 1.00 0.37 H new ATOM 0 HD2 TYR A 53 3.694 -7.357 5.619 1.00 0.39 H new ATOM 0 HE1 TYR A 53 4.914 -7.993 10.385 1.00 0.40 H new ATOM 0 HE2 TYR A 53 2.418 -8.954 7.023 1.00 0.43 H new ATOM 0 HH TYR A 53 2.160 -9.872 9.040 1.00 0.43 H new ATOM 790 N ARG A 54 7.172 -6.404 3.936 1.00 0.37 N ATOM 791 CA ARG A 54 7.720 -6.271 2.561 1.00 0.44 C ATOM 792 C ARG A 54 6.830 -5.347 1.736 1.00 0.36 C ATOM 793 O ARG A 54 7.261 -4.750 0.768 1.00 0.42 O ATOM 794 CB ARG A 54 7.689 -7.684 1.986 1.00 0.53 C ATOM 795 CG ARG A 54 8.189 -7.649 0.545 1.00 0.65 C ATOM 796 CD ARG A 54 9.687 -7.339 0.538 1.00 0.81 C ATOM 797 NE ARG A 54 10.193 -7.932 -0.727 1.00 0.87 N ATOM 798 CZ ARG A 54 10.234 -7.212 -1.813 1.00 0.88 C ATOM 799 NH1 ARG A 54 10.917 -6.100 -1.830 1.00 0.88 N ATOM 800 NH2 ARG A 54 9.592 -7.604 -2.880 1.00 1.19 N ATOM 0 H ARG A 54 6.240 -6.814 3.998 1.00 0.37 H new ATOM 0 HA ARG A 54 8.724 -5.848 2.553 1.00 0.44 H new ATOM 0 HB2 ARG A 54 8.314 -8.347 2.585 1.00 0.53 H new ATOM 0 HB3 ARG A 54 6.675 -8.082 2.022 1.00 0.53 H new ATOM 0 HG2 ARG A 54 8.002 -8.607 0.059 1.00 0.65 H new ATOM 0 HG3 ARG A 54 7.647 -6.893 -0.022 1.00 0.65 H new ATOM 0 HD2 ARG A 54 9.869 -6.265 0.571 1.00 0.81 H new ATOM 0 HD3 ARG A 54 10.185 -7.773 1.405 1.00 0.81 H new ATOM 0 HE ARG A 54 10.508 -8.902 -0.746 1.00 0.87 H new ATOM 0 HH11 ARG A 54 11.417 -5.796 -0.995 1.00 0.88 H new ATOM 0 HH12 ARG A 54 10.951 -5.535 -2.679 1.00 0.88 H new ATOM 0 HH21 ARG A 54 9.059 -8.473 -2.864 1.00 1.19 H new ATOM 0 HH22 ARG A 54 9.624 -7.041 -3.730 1.00 1.19 H new ATOM 814 N SER A 55 5.589 -5.222 2.112 1.00 0.27 N ATOM 815 CA SER A 55 4.662 -4.337 1.349 1.00 0.23 C ATOM 816 C SER A 55 3.223 -4.587 1.768 1.00 0.20 C ATOM 817 O SER A 55 2.618 -5.570 1.396 1.00 0.27 O ATOM 818 CB SER A 55 4.855 -4.710 -0.123 1.00 0.29 C ATOM 819 OG SER A 55 3.610 -4.613 -0.798 1.00 0.35 O ATOM 0 H SER A 55 5.174 -5.694 2.915 1.00 0.27 H new ATOM 0 HA SER A 55 4.872 -3.283 1.532 1.00 0.23 H new ATOM 0 HB2 SER A 55 5.585 -4.046 -0.586 1.00 0.29 H new ATOM 0 HB3 SER A 55 5.248 -5.723 -0.205 1.00 0.29 H new ATOM 0 HG SER A 55 3.730 -4.850 -1.741 1.00 0.35 H new ATOM 825 N LEU A 56 2.669 -3.691 2.526 1.00 0.20 N ATOM 826 CA LEU A 56 1.258 -3.852 2.956 1.00 0.22 C ATOM 827 C LEU A 56 0.447 -2.657 2.464 1.00 0.22 C ATOM 828 O LEU A 56 0.888 -1.529 2.533 1.00 0.28 O ATOM 829 CB LEU A 56 1.298 -3.873 4.483 1.00 0.28 C ATOM 830 CG LEU A 56 2.125 -5.065 4.960 1.00 0.30 C ATOM 831 CD1 LEU A 56 2.690 -4.766 6.348 1.00 0.36 C ATOM 832 CD2 LEU A 56 1.235 -6.306 5.032 1.00 0.28 C ATOM 0 H LEU A 56 3.134 -2.850 2.868 1.00 0.20 H new ATOM 0 HA LEU A 56 0.799 -4.757 2.557 1.00 0.22 H new ATOM 0 HB2 LEU A 56 1.730 -2.945 4.858 1.00 0.28 H new ATOM 0 HB3 LEU A 56 0.286 -3.937 4.882 1.00 0.28 H new ATOM 0 HG LEU A 56 2.943 -5.243 4.262 1.00 0.30 H new ATOM 0 HD11 LEU A 56 3.281 -5.615 6.691 1.00 0.36 H new ATOM 0 HD12 LEU A 56 3.323 -3.880 6.300 1.00 0.36 H new ATOM 0 HD13 LEU A 56 1.870 -4.590 7.044 1.00 0.36 H new ATOM 0 HD21 LEU A 56 1.825 -7.157 5.372 1.00 0.28 H new ATOM 0 HD22 LEU A 56 0.418 -6.128 5.731 1.00 0.28 H new ATOM 0 HD23 LEU A 56 0.827 -6.519 4.044 1.00 0.28 H new ATOM 844 N LEU A 57 -0.738 -2.887 1.988 1.00 0.20 N ATOM 845 CA LEU A 57 -1.568 -1.748 1.518 1.00 0.22 C ATOM 846 C LEU A 57 -2.828 -1.688 2.366 1.00 0.25 C ATOM 847 O LEU A 57 -3.693 -2.536 2.277 1.00 0.34 O ATOM 848 CB LEU A 57 -1.909 -2.054 0.058 1.00 0.26 C ATOM 849 CG LEU A 57 -2.881 -0.995 -0.465 1.00 0.26 C ATOM 850 CD1 LEU A 57 -2.276 -0.297 -1.683 1.00 0.26 C ATOM 851 CD2 LEU A 57 -4.199 -1.660 -0.866 1.00 0.38 C ATOM 0 H LEU A 57 -1.168 -3.808 1.903 1.00 0.20 H new ATOM 0 HA LEU A 57 -1.058 -0.788 1.601 1.00 0.22 H new ATOM 0 HB2 LEU A 57 -1.002 -2.062 -0.546 1.00 0.26 H new ATOM 0 HB3 LEU A 57 -2.354 -3.045 -0.024 1.00 0.26 H new ATOM 0 HG LEU A 57 -3.067 -0.261 0.320 1.00 0.26 H new ATOM 0 HD11 LEU A 57 -2.971 0.457 -2.053 1.00 0.26 H new ATOM 0 HD12 LEU A 57 -1.339 0.182 -1.400 1.00 0.26 H new ATOM 0 HD13 LEU A 57 -2.086 -1.031 -2.466 1.00 0.26 H new ATOM 0 HD21 LEU A 57 -4.890 -0.903 -1.238 1.00 0.38 H new ATOM 0 HD22 LEU A 57 -4.012 -2.397 -1.647 1.00 0.38 H new ATOM 0 HD23 LEU A 57 -4.636 -2.155 0.002 1.00 0.38 H new ATOM 863 N CYS A 58 -2.932 -0.704 3.208 1.00 0.22 N ATOM 864 CA CYS A 58 -4.130 -0.616 4.075 1.00 0.27 C ATOM 865 C CYS A 58 -5.179 0.279 3.435 1.00 0.25 C ATOM 866 O CYS A 58 -5.020 1.479 3.351 1.00 0.35 O ATOM 867 CB CYS A 58 -3.639 -0.002 5.383 1.00 0.32 C ATOM 868 SG CYS A 58 -4.929 -0.171 6.639 1.00 0.42 S ATOM 0 H CYS A 58 -2.244 0.038 3.332 1.00 0.22 H new ATOM 0 HA CYS A 58 -4.591 -1.591 4.231 1.00 0.27 H new ATOM 0 HB2 CYS A 58 -2.727 -0.499 5.712 1.00 0.32 H new ATOM 0 HB3 CYS A 58 -3.394 1.050 5.236 1.00 0.32 H new ATOM 873 N CYS A 59 -6.257 -0.295 3.004 1.00 0.26 N ATOM 874 CA CYS A 59 -7.332 0.518 2.389 1.00 0.29 C ATOM 875 C CYS A 59 -8.589 0.361 3.231 1.00 0.37 C ATOM 876 O CYS A 59 -9.229 1.321 3.613 1.00 0.48 O ATOM 877 CB CYS A 59 -7.537 -0.073 0.996 1.00 0.33 C ATOM 878 SG CYS A 59 -7.532 1.257 -0.232 1.00 0.51 S ATOM 0 H CYS A 59 -6.442 -1.297 3.051 1.00 0.26 H new ATOM 0 HA CYS A 59 -7.092 1.580 2.331 1.00 0.29 H new ATOM 0 HB2 CYS A 59 -6.747 -0.790 0.774 1.00 0.33 H new ATOM 0 HB3 CYS A 59 -8.481 -0.616 0.955 1.00 0.33 H new ATOM 883 N THR A 60 -8.927 -0.855 3.539 1.00 0.39 N ATOM 884 CA THR A 60 -10.122 -1.110 4.382 1.00 0.50 C ATOM 885 C THR A 60 -11.312 -0.294 3.862 1.00 0.59 C ATOM 886 O THR A 60 -12.229 0.019 4.593 1.00 0.65 O ATOM 887 CB THR A 60 -9.708 -0.668 5.798 1.00 0.52 C ATOM 888 OG1 THR A 60 -9.917 0.729 5.938 1.00 0.55 O ATOM 889 CG2 THR A 60 -8.221 -0.992 6.041 1.00 0.45 C ATOM 0 H THR A 60 -8.423 -1.690 3.241 1.00 0.39 H new ATOM 0 HA THR A 60 -10.436 -2.154 4.369 1.00 0.50 H new ATOM 0 HB THR A 60 -10.313 -1.205 6.529 1.00 0.52 H new ATOM 0 HG1 THR A 60 -9.294 1.213 5.356 1.00 0.55 H new ATOM 0 HG21 THR A 60 -7.939 -0.675 7.045 1.00 0.45 H new ATOM 0 HG22 THR A 60 -8.061 -2.066 5.941 1.00 0.45 H new ATOM 0 HG23 THR A 60 -7.609 -0.465 5.309 1.00 0.45 H new ATOM 897 N THR A 61 -11.304 0.042 2.596 1.00 0.63 N ATOM 898 CA THR A 61 -12.439 0.827 2.023 1.00 0.71 C ATOM 899 C THR A 61 -13.037 0.104 0.811 1.00 0.72 C ATOM 900 O THR A 61 -14.078 0.477 0.308 1.00 0.78 O ATOM 901 CB THR A 61 -11.843 2.172 1.607 1.00 0.74 C ATOM 902 OG1 THR A 61 -10.693 1.959 0.803 1.00 0.69 O ATOM 903 CG2 THR A 61 -11.463 2.972 2.855 1.00 0.77 C ATOM 0 H THR A 61 -10.562 -0.193 1.936 1.00 0.63 H new ATOM 0 HA THR A 61 -13.246 0.952 2.745 1.00 0.71 H new ATOM 0 HB THR A 61 -12.581 2.731 1.032 1.00 0.74 H new ATOM 0 HG1 THR A 61 -10.945 1.460 -0.002 1.00 0.69 H new ATOM 0 HG21 THR A 61 -11.038 3.931 2.557 1.00 0.77 H new ATOM 0 HG22 THR A 61 -12.352 3.142 3.463 1.00 0.77 H new ATOM 0 HG23 THR A 61 -10.728 2.414 3.435 1.00 0.77 H new ATOM 911 N ASP A 62 -12.392 -0.932 0.341 1.00 0.70 N ATOM 912 CA ASP A 62 -12.933 -1.683 -0.831 1.00 0.71 C ATOM 913 C ASP A 62 -13.044 -0.771 -2.063 1.00 0.72 C ATOM 914 O ASP A 62 -13.290 0.412 -1.955 1.00 0.87 O ATOM 915 CB ASP A 62 -14.318 -2.146 -0.377 1.00 0.73 C ATOM 916 CG ASP A 62 -14.849 -3.214 -1.334 1.00 0.66 C ATOM 917 OD1 ASP A 62 -14.375 -4.334 -1.258 1.00 0.61 O ATOM 918 OD2 ASP A 62 -15.721 -2.894 -2.122 1.00 0.80 O ATOM 0 H ASP A 62 -11.515 -1.290 0.718 1.00 0.70 H new ATOM 0 HA ASP A 62 -12.289 -2.513 -1.124 1.00 0.71 H new ATOM 0 HB2 ASP A 62 -14.263 -2.547 0.635 1.00 0.73 H new ATOM 0 HB3 ASP A 62 -15.003 -1.299 -0.348 1.00 0.73 H new ATOM 923 N ASN A 63 -12.864 -1.324 -3.237 1.00 0.65 N ATOM 924 CA ASN A 63 -12.962 -0.504 -4.483 1.00 0.63 C ATOM 925 C ASN A 63 -11.923 0.623 -4.471 1.00 0.62 C ATOM 926 O ASN A 63 -12.198 1.738 -4.867 1.00 0.66 O ATOM 927 CB ASN A 63 -14.375 0.074 -4.474 1.00 0.71 C ATOM 928 CG ASN A 63 -14.779 0.455 -5.902 1.00 0.76 C ATOM 929 OD1 ASN A 63 -15.144 1.587 -6.159 1.00 0.68 O ATOM 930 ND2 ASN A 63 -14.727 -0.443 -6.846 1.00 1.00 N ATOM 0 H ASN A 63 -12.653 -2.311 -3.386 1.00 0.65 H new ATOM 0 HA ASN A 63 -12.770 -1.099 -5.376 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -15.076 -0.656 -4.069 1.00 0.71 H new ATOM 0 HB3 ASN A 63 -14.417 0.950 -3.827 1.00 0.71 H new ATOM 0 HD21 ASN A 63 -14.992 -0.196 -7.800 1.00 1.00 H new ATOM 0 HD22 ASN A 63 -14.421 -1.392 -6.631 1.00 1.00 H new ATOM 937 N CYS A 64 -10.732 0.342 -4.017 1.00 0.63 N ATOM 938 CA CYS A 64 -9.677 1.400 -3.972 1.00 0.62 C ATOM 939 C CYS A 64 -9.088 1.650 -5.369 1.00 0.59 C ATOM 940 O CYS A 64 -8.147 2.401 -5.524 1.00 0.67 O ATOM 941 CB CYS A 64 -8.603 0.850 -3.033 1.00 0.57 C ATOM 942 SG CYS A 64 -9.200 0.926 -1.325 1.00 0.60 S ATOM 0 H CYS A 64 -10.442 -0.574 -3.675 1.00 0.63 H new ATOM 0 HA CYS A 64 -10.078 2.354 -3.629 1.00 0.62 H new ATOM 0 HB2 CYS A 64 -8.363 -0.179 -3.300 1.00 0.57 H new ATOM 0 HB3 CYS A 64 -7.685 1.428 -3.135 1.00 0.57 H new ATOM 947 N ASN A 65 -9.628 1.030 -6.381 1.00 0.55 N ATOM 948 CA ASN A 65 -9.092 1.243 -7.763 1.00 0.56 C ATOM 949 C ASN A 65 -7.600 0.909 -7.819 1.00 0.55 C ATOM 950 O ASN A 65 -6.842 1.553 -8.517 1.00 0.60 O ATOM 951 CB ASN A 65 -9.289 2.731 -8.053 1.00 0.52 C ATOM 952 CG ASN A 65 -10.780 3.054 -8.165 1.00 0.62 C ATOM 953 OD1 ASN A 65 -11.431 3.314 -7.174 1.00 0.87 O ATOM 954 ND2 ASN A 65 -11.349 3.052 -9.340 1.00 0.87 N ATOM 0 H ASN A 65 -10.416 0.385 -6.316 1.00 0.55 H new ATOM 0 HA ASN A 65 -9.600 0.606 -8.487 1.00 0.56 H new ATOM 0 HB2 ASN A 65 -8.839 3.327 -7.259 1.00 0.52 H new ATOM 0 HB3 ASN A 65 -8.781 2.999 -8.979 1.00 0.52 H new ATOM 0 HD21 ASN A 65 -12.342 3.269 -9.426 1.00 0.87 H new ATOM 0 HD22 ASN A 65 -10.801 2.833 -10.172 1.00 0.87 H new ATOM 961 N HIS A 66 -7.162 -0.085 -7.099 1.00 0.55 N ATOM 962 CA HIS A 66 -5.729 -0.432 -7.131 1.00 0.54 C ATOM 963 C HIS A 66 -5.504 -1.851 -6.602 1.00 0.57 C ATOM 964 O HIS A 66 -6.355 -2.328 -5.868 1.00 0.69 O ATOM 965 CB HIS A 66 -5.047 0.605 -6.238 1.00 0.54 C ATOM 966 CG HIS A 66 -3.911 1.246 -6.987 1.00 0.48 C ATOM 967 ND1 HIS A 66 -4.067 2.420 -7.709 1.00 0.57 N ATOM 968 CD2 HIS A 66 -2.592 0.889 -7.134 1.00 0.39 C ATOM 969 CE1 HIS A 66 -2.871 2.725 -8.251 1.00 0.53 C ATOM 970 NE2 HIS A 66 -1.938 1.824 -7.933 1.00 0.41 N ATOM 971 OXT HIS A 66 -4.485 -2.433 -6.934 1.00 0.58 O ATOM 0 H HIS A 66 -7.740 -0.667 -6.493 1.00 0.55 H new ATOM 0 HA HIS A 66 -5.326 -0.418 -8.144 1.00 0.54 H new ATOM 0 HB2 HIS A 66 -5.766 1.363 -5.929 1.00 0.54 H new ATOM 0 HB3 HIS A 66 -4.675 0.130 -5.330 1.00 0.54 H new ATOM 0 HD2 HIS A 66 -2.132 0.015 -6.696 1.00 0.39 H new ATOM 0 HE1 HIS A 66 -2.689 3.593 -8.868 1.00 0.53 H new ATOM 0 HE2 HIS A 66 -0.958 1.821 -8.215 1.00 0.41 H new TER 979 HIS A 66 ATOM 980 N ARG B 1 15.380 5.892 -3.025 1.00 0.57 N ATOM 981 CA ARG B 1 16.310 5.806 -4.189 1.00 0.55 C ATOM 982 C ARG B 1 15.512 5.792 -5.494 1.00 0.54 C ATOM 983 O ARG B 1 15.326 6.810 -6.130 1.00 0.60 O ATOM 984 CB ARG B 1 17.055 4.484 -4.009 1.00 0.53 C ATOM 985 CG ARG B 1 18.477 4.758 -3.514 1.00 0.62 C ATOM 986 CD ARG B 1 19.482 4.219 -4.533 1.00 0.71 C ATOM 987 NE ARG B 1 20.202 3.124 -3.823 1.00 0.71 N ATOM 988 CZ ARG B 1 19.948 1.879 -4.118 1.00 0.85 C ATOM 989 NH1 ARG B 1 18.778 1.546 -4.589 1.00 1.11 N ATOM 990 NH2 ARG B 1 20.863 0.968 -3.944 1.00 0.92 N ATOM 0 H1 ARG B 1 15.816 6.464 -2.274 1.00 0.57 H new ATOM 0 H2 ARG B 1 14.488 6.335 -3.325 1.00 0.57 H new ATOM 0 H3 ARG B 1 15.187 4.936 -2.664 1.00 0.57 H new ATOM 0 HA ARG B 1 16.993 6.654 -4.235 1.00 0.55 H new ATOM 0 HB2 ARG B 1 16.527 3.852 -3.296 1.00 0.53 H new ATOM 0 HB3 ARG B 1 17.086 3.941 -4.954 1.00 0.53 H new ATOM 0 HG2 ARG B 1 18.625 5.829 -3.372 1.00 0.62 H new ATOM 0 HG3 ARG B 1 18.634 4.284 -2.545 1.00 0.62 H new ATOM 0 HD2 ARG B 1 18.978 3.847 -5.425 1.00 0.71 H new ATOM 0 HD3 ARG B 1 20.171 4.999 -4.858 1.00 0.71 H new ATOM 0 HE ARG B 1 20.893 3.348 -3.107 1.00 0.71 H new ATOM 0 HH11 ARG B 1 18.062 2.259 -4.727 1.00 1.11 H new ATOM 0 HH12 ARG B 1 18.579 0.572 -4.820 1.00 1.11 H new ATOM 0 HH21 ARG B 1 21.778 1.228 -3.577 1.00 0.92 H new ATOM 0 HH22 ARG B 1 20.664 -0.005 -4.175 1.00 0.92 H new ATOM 1006 N THR B 2 15.037 4.643 -5.893 1.00 0.52 N ATOM 1007 CA THR B 2 14.246 4.558 -7.153 1.00 0.53 C ATOM 1008 C THR B 2 12.909 3.860 -6.894 1.00 0.54 C ATOM 1009 O THR B 2 12.840 2.883 -6.174 1.00 0.58 O ATOM 1010 CB THR B 2 15.092 3.713 -8.106 1.00 0.57 C ATOM 1011 OG1 THR B 2 16.434 4.177 -8.094 1.00 0.65 O ATOM 1012 CG2 THR B 2 14.524 3.824 -9.521 1.00 0.61 C ATOM 0 H THR B 2 15.163 3.759 -5.400 1.00 0.52 H new ATOM 0 HA THR B 2 14.028 5.546 -7.559 1.00 0.53 H new ATOM 0 HB THR B 2 15.070 2.672 -7.785 1.00 0.57 H new ATOM 0 HG1 THR B 2 16.974 3.632 -8.704 1.00 0.65 H new ATOM 0 HG21 THR B 2 15.125 3.222 -10.203 1.00 0.61 H new ATOM 0 HG22 THR B 2 13.496 3.463 -9.530 1.00 0.61 H new ATOM 0 HG23 THR B 2 14.546 4.866 -9.841 1.00 0.61 H new ATOM 1020 N CYS B 3 11.852 4.338 -7.488 1.00 0.49 N ATOM 1021 CA CYS B 3 10.527 3.684 -7.293 1.00 0.49 C ATOM 1022 C CYS B 3 9.728 3.752 -8.594 1.00 0.45 C ATOM 1023 O CYS B 3 10.276 3.985 -9.655 1.00 0.46 O ATOM 1024 CB CYS B 3 9.833 4.476 -6.186 1.00 0.46 C ATOM 1025 SG CYS B 3 10.544 4.027 -4.581 1.00 0.43 S ATOM 0 H CYS B 3 11.848 5.154 -8.101 1.00 0.49 H new ATOM 0 HA CYS B 3 10.619 2.632 -7.023 1.00 0.49 H new ATOM 0 HB2 CYS B 3 9.951 5.545 -6.361 1.00 0.46 H new ATOM 0 HB3 CYS B 3 8.763 4.268 -6.192 1.00 0.46 H new ATOM 1030 N LEU B 4 8.442 3.551 -8.531 1.00 0.44 N ATOM 1031 CA LEU B 4 7.629 3.602 -9.778 1.00 0.44 C ATOM 1032 C LEU B 4 6.574 4.707 -9.686 1.00 0.39 C ATOM 1033 O LEU B 4 5.947 4.902 -8.662 1.00 0.38 O ATOM 1034 CB LEU B 4 6.962 2.230 -9.868 1.00 0.52 C ATOM 1035 CG LEU B 4 7.991 1.132 -9.576 1.00 0.56 C ATOM 1036 CD1 LEU B 4 7.367 -0.233 -9.866 1.00 0.64 C ATOM 1037 CD2 LEU B 4 9.225 1.316 -10.465 1.00 0.70 C ATOM 0 H LEU B 4 7.921 3.355 -7.676 1.00 0.44 H new ATOM 0 HA LEU B 4 8.236 3.822 -10.656 1.00 0.44 H new ATOM 0 HB2 LEU B 4 6.139 2.168 -9.156 1.00 0.52 H new ATOM 0 HB3 LEU B 4 6.536 2.087 -10.861 1.00 0.52 H new ATOM 0 HG LEU B 4 8.290 1.194 -8.529 1.00 0.56 H new ATOM 0 HD11 LEU B 4 8.095 -1.017 -9.660 1.00 0.64 H new ATOM 0 HD12 LEU B 4 6.492 -0.375 -9.232 1.00 0.64 H new ATOM 0 HD13 LEU B 4 7.068 -0.281 -10.913 1.00 0.64 H new ATOM 0 HD21 LEU B 4 9.949 0.531 -10.249 1.00 0.70 H new ATOM 0 HD22 LEU B 4 8.930 1.260 -11.513 1.00 0.70 H new ATOM 0 HD23 LEU B 4 9.675 2.289 -10.266 1.00 0.70 H new ATOM 1049 N ILE B 5 6.384 5.436 -10.752 1.00 0.44 N ATOM 1050 CA ILE B 5 5.386 6.535 -10.748 1.00 0.41 C ATOM 1051 C ILE B 5 4.470 6.420 -11.976 1.00 0.45 C ATOM 1052 O ILE B 5 4.852 5.883 -12.997 1.00 0.48 O ATOM 1053 CB ILE B 5 6.230 7.807 -10.819 1.00 0.45 C ATOM 1054 CG1 ILE B 5 7.315 7.639 -11.888 1.00 0.48 C ATOM 1055 CG2 ILE B 5 6.888 8.065 -9.463 1.00 0.45 C ATOM 1056 CD1 ILE B 5 8.156 8.912 -11.970 1.00 0.44 C ATOM 0 H ILE B 5 6.884 5.313 -11.632 1.00 0.44 H new ATOM 0 HA ILE B 5 4.737 6.517 -9.872 1.00 0.41 H new ATOM 0 HB ILE B 5 5.590 8.651 -11.076 1.00 0.45 H new ATOM 0 HG12 ILE B 5 7.950 6.787 -11.645 1.00 0.48 H new ATOM 0 HG13 ILE B 5 6.858 7.430 -12.855 1.00 0.48 H new ATOM 0 HG21 ILE B 5 7.489 8.973 -9.517 1.00 0.45 H new ATOM 0 HG22 ILE B 5 6.117 8.185 -8.702 1.00 0.45 H new ATOM 0 HG23 ILE B 5 7.527 7.221 -9.202 1.00 0.45 H new ATOM 0 HD11 ILE B 5 8.927 8.790 -12.731 1.00 0.44 H new ATOM 0 HD12 ILE B 5 7.516 9.754 -12.233 1.00 0.44 H new ATOM 0 HD13 ILE B 5 8.626 9.101 -11.005 1.00 0.44 H new ATOM 1068 N SER B 6 3.265 6.920 -11.884 1.00 0.53 N ATOM 1069 CA SER B 6 2.322 6.837 -13.043 1.00 0.59 C ATOM 1070 C SER B 6 1.850 5.394 -13.237 1.00 0.61 C ATOM 1071 O SER B 6 2.416 4.474 -12.677 1.00 0.65 O ATOM 1072 CB SER B 6 3.120 7.306 -14.259 1.00 0.67 C ATOM 1073 OG SER B 6 3.523 6.176 -15.021 1.00 0.72 O ATOM 0 H SER B 6 2.891 7.383 -11.056 1.00 0.53 H new ATOM 0 HA SER B 6 1.433 7.448 -12.887 1.00 0.59 H new ATOM 0 HB2 SER B 6 2.514 7.974 -14.871 1.00 0.67 H new ATOM 0 HB3 SER B 6 3.994 7.873 -13.938 1.00 0.67 H new ATOM 0 HG SER B 6 4.068 5.583 -14.463 1.00 0.72 H new ATOM 1079 N PRO B 7 0.819 5.244 -14.025 1.00 0.70 N ATOM 1080 CA PRO B 7 0.256 3.898 -14.296 1.00 0.76 C ATOM 1081 C PRO B 7 1.209 3.091 -15.186 1.00 0.75 C ATOM 1082 O PRO B 7 1.034 1.904 -15.383 1.00 0.74 O ATOM 1083 CB PRO B 7 -1.045 4.198 -15.033 1.00 0.82 C ATOM 1084 CG PRO B 7 -0.827 5.539 -15.655 1.00 0.82 C ATOM 1085 CD PRO B 7 0.086 6.301 -14.732 1.00 0.77 C ATOM 0 HA PRO B 7 0.105 3.306 -13.393 1.00 0.76 H new ATOM 0 HB2 PRO B 7 -1.256 3.441 -15.788 1.00 0.82 H new ATOM 0 HB3 PRO B 7 -1.894 4.212 -14.349 1.00 0.82 H new ATOM 0 HG2 PRO B 7 -0.381 5.439 -16.644 1.00 0.82 H new ATOM 0 HG3 PRO B 7 -1.773 6.064 -15.784 1.00 0.82 H new ATOM 0 HD2 PRO B 7 0.760 6.956 -15.285 1.00 0.77 H new ATOM 0 HD3 PRO B 7 -0.476 6.931 -14.042 1.00 0.77 H new ATOM 1093 N SER B 8 2.208 3.732 -15.731 1.00 0.80 N ATOM 1094 CA SER B 8 3.172 3.009 -16.615 1.00 0.83 C ATOM 1095 C SER B 8 3.897 1.909 -15.830 1.00 0.80 C ATOM 1096 O SER B 8 4.526 1.040 -16.397 1.00 0.89 O ATOM 1097 CB SER B 8 4.156 4.078 -17.086 1.00 0.90 C ATOM 1098 OG SER B 8 3.466 5.041 -17.872 1.00 0.93 O ATOM 0 H SER B 8 2.400 4.726 -15.603 1.00 0.80 H new ATOM 0 HA SER B 8 2.675 2.518 -17.452 1.00 0.83 H new ATOM 0 HB2 SER B 8 4.624 4.561 -16.228 1.00 0.90 H new ATOM 0 HB3 SER B 8 4.955 3.621 -17.670 1.00 0.90 H new ATOM 0 HG SER B 8 3.197 5.794 -17.305 1.00 0.93 H new ATOM 1104 N SER B 9 3.815 1.948 -14.528 1.00 0.72 N ATOM 1105 CA SER B 9 4.491 0.907 -13.697 1.00 0.69 C ATOM 1106 C SER B 9 5.870 0.554 -14.270 1.00 0.73 C ATOM 1107 O SER B 9 6.082 -0.527 -14.783 1.00 0.86 O ATOM 1108 CB SER B 9 3.563 -0.303 -13.741 1.00 0.77 C ATOM 1109 OG SER B 9 3.520 -0.815 -15.067 1.00 0.90 O ATOM 0 H SER B 9 3.307 2.658 -14.001 1.00 0.72 H new ATOM 0 HA SER B 9 4.663 1.254 -12.678 1.00 0.69 H new ATOM 0 HB2 SER B 9 3.916 -1.072 -13.054 1.00 0.77 H new ATOM 0 HB3 SER B 9 2.562 -0.020 -13.416 1.00 0.77 H new ATOM 0 HG SER B 9 4.264 -0.444 -15.585 1.00 0.90 H new ATOM 1115 N THR B 10 6.809 1.457 -14.180 1.00 0.66 N ATOM 1116 CA THR B 10 8.177 1.176 -14.707 1.00 0.69 C ATOM 1117 C THR B 10 9.239 1.711 -13.740 1.00 0.65 C ATOM 1118 O THR B 10 9.013 2.687 -13.053 1.00 0.63 O ATOM 1119 CB THR B 10 8.254 1.928 -16.036 1.00 0.72 C ATOM 1120 OG1 THR B 10 9.475 1.607 -16.687 1.00 0.66 O ATOM 1121 CG2 THR B 10 8.194 3.434 -15.774 1.00 0.76 C ATOM 0 H THR B 10 6.688 2.380 -13.763 1.00 0.66 H new ATOM 0 HA THR B 10 8.357 0.108 -14.826 1.00 0.69 H new ATOM 0 HB THR B 10 7.416 1.638 -16.670 1.00 0.72 H new ATOM 0 HG1 THR B 10 9.527 2.086 -17.540 1.00 0.66 H new ATOM 0 HG21 THR B 10 8.249 3.971 -16.721 1.00 0.76 H new ATOM 0 HG22 THR B 10 7.258 3.679 -15.272 1.00 0.76 H new ATOM 0 HG23 THR B 10 9.032 3.727 -15.142 1.00 0.76 H new ATOM 1129 N PRO B 11 10.373 1.057 -13.723 1.00 0.68 N ATOM 1130 CA PRO B 11 11.482 1.488 -12.832 1.00 0.65 C ATOM 1131 C PRO B 11 12.050 2.825 -13.317 1.00 0.58 C ATOM 1132 O PRO B 11 12.434 2.968 -14.461 1.00 0.70 O ATOM 1133 CB PRO B 11 12.509 0.365 -12.973 1.00 0.74 C ATOM 1134 CG PRO B 11 12.218 -0.257 -14.301 1.00 0.81 C ATOM 1135 CD PRO B 11 10.733 -0.125 -14.517 1.00 0.78 C ATOM 0 HA PRO B 11 11.177 1.644 -11.797 1.00 0.65 H new ATOM 0 HB2 PRO B 11 13.527 0.753 -12.933 1.00 0.74 H new ATOM 0 HB3 PRO B 11 12.413 -0.362 -12.167 1.00 0.74 H new ATOM 0 HG2 PRO B 11 12.772 0.245 -15.094 1.00 0.81 H new ATOM 0 HG3 PRO B 11 12.521 -1.304 -14.314 1.00 0.81 H new ATOM 0 HD2 PRO B 11 10.492 0.011 -15.571 1.00 0.78 H new ATOM 0 HD3 PRO B 11 10.198 -1.013 -14.180 1.00 0.78 H new ATOM 1143 N GLN B 12 12.106 3.809 -12.459 1.00 0.47 N ATOM 1144 CA GLN B 12 12.647 5.132 -12.883 1.00 0.42 C ATOM 1145 C GLN B 12 13.615 5.671 -11.831 1.00 0.44 C ATOM 1146 O GLN B 12 14.784 5.337 -11.822 1.00 0.46 O ATOM 1147 CB GLN B 12 11.423 6.043 -12.998 1.00 0.41 C ATOM 1148 CG GLN B 12 10.821 5.936 -14.399 1.00 0.44 C ATOM 1149 CD GLN B 12 10.974 7.275 -15.123 1.00 0.67 C ATOM 1150 OE1 GLN B 12 11.845 8.056 -14.798 1.00 0.87 O ATOM 1151 NE2 GLN B 12 10.156 7.577 -16.096 1.00 0.89 N ATOM 0 H GLN B 12 11.802 3.754 -11.487 1.00 0.47 H new ATOM 0 HA GLN B 12 13.200 5.069 -13.820 1.00 0.42 H new ATOM 0 HB2 GLN B 12 10.680 5.763 -12.252 1.00 0.41 H new ATOM 0 HB3 GLN B 12 11.707 7.075 -12.793 1.00 0.41 H new ATOM 0 HG2 GLN B 12 11.320 5.147 -14.962 1.00 0.44 H new ATOM 0 HG3 GLN B 12 9.768 5.664 -14.334 1.00 0.44 H new ATOM 0 HE21 GLN B 12 9.424 6.921 -16.369 1.00 0.89 H new ATOM 0 HE22 GLN B 12 10.249 8.469 -16.582 1.00 0.89 H new ATOM 1160 N THR B 13 13.147 6.522 -10.958 1.00 0.48 N ATOM 1161 CA THR B 13 14.036 7.098 -9.933 1.00 0.52 C ATOM 1162 C THR B 13 13.249 7.426 -8.675 1.00 0.49 C ATOM 1163 O THR B 13 12.088 7.091 -8.543 1.00 0.49 O ATOM 1164 CB THR B 13 14.476 8.400 -10.553 1.00 0.53 C ATOM 1165 OG1 THR B 13 14.557 8.248 -11.964 1.00 0.57 O ATOM 1166 CG2 THR B 13 15.833 8.822 -9.990 1.00 0.60 C ATOM 0 H THR B 13 12.178 6.839 -10.918 1.00 0.48 H new ATOM 0 HA THR B 13 14.848 6.424 -9.660 1.00 0.52 H new ATOM 0 HB THR B 13 13.747 9.175 -10.315 1.00 0.53 H new ATOM 0 HG1 THR B 13 14.841 9.094 -12.368 1.00 0.57 H new ATOM 0 HG21 THR B 13 16.139 9.764 -10.446 1.00 0.60 H new ATOM 0 HG22 THR B 13 15.755 8.950 -8.910 1.00 0.60 H new ATOM 0 HG23 THR B 13 16.574 8.054 -10.212 1.00 0.60 H new ATOM 1174 N CYS B 14 13.866 8.134 -7.777 1.00 0.52 N ATOM 1175 CA CYS B 14 13.163 8.553 -6.544 1.00 0.50 C ATOM 1176 C CYS B 14 14.133 9.325 -5.647 1.00 0.50 C ATOM 1177 O CYS B 14 14.578 8.821 -4.634 1.00 0.60 O ATOM 1178 CB CYS B 14 12.703 7.264 -5.860 1.00 0.54 C ATOM 1179 SG CYS B 14 11.167 7.574 -4.952 1.00 0.48 S ATOM 0 H CYS B 14 14.836 8.442 -7.847 1.00 0.52 H new ATOM 0 HA CYS B 14 12.315 9.205 -6.754 1.00 0.50 H new ATOM 0 HB2 CYS B 14 12.547 6.482 -6.603 1.00 0.54 H new ATOM 0 HB3 CYS B 14 13.475 6.907 -5.178 1.00 0.54 H new ATOM 1184 N PRO B 15 14.439 10.525 -6.061 1.00 0.47 N ATOM 1185 CA PRO B 15 15.381 11.376 -5.296 1.00 0.49 C ATOM 1186 C PRO B 15 14.712 11.936 -4.038 1.00 0.46 C ATOM 1187 O PRO B 15 14.153 13.013 -4.043 1.00 0.49 O ATOM 1188 CB PRO B 15 15.729 12.494 -6.277 1.00 0.50 C ATOM 1189 CG PRO B 15 14.565 12.566 -7.216 1.00 0.55 C ATOM 1190 CD PRO B 15 13.943 11.194 -7.268 1.00 0.55 C ATOM 0 HA PRO B 15 16.259 10.832 -4.946 1.00 0.49 H new ATOM 0 HB2 PRO B 15 15.876 13.441 -5.759 1.00 0.50 H new ATOM 0 HB3 PRO B 15 16.654 12.276 -6.811 1.00 0.50 H new ATOM 0 HG2 PRO B 15 13.840 13.304 -6.872 1.00 0.55 H new ATOM 0 HG3 PRO B 15 14.891 12.878 -8.208 1.00 0.55 H new ATOM 0 HD2 PRO B 15 12.854 11.251 -7.272 1.00 0.55 H new ATOM 0 HD3 PRO B 15 14.238 10.657 -8.170 1.00 0.55 H new ATOM 1198 N ASN B 16 14.773 11.208 -2.957 1.00 0.44 N ATOM 1199 CA ASN B 16 14.150 11.693 -1.694 1.00 0.41 C ATOM 1200 C ASN B 16 14.755 10.963 -0.492 1.00 0.45 C ATOM 1201 O ASN B 16 15.210 11.577 0.451 1.00 0.54 O ATOM 1202 CB ASN B 16 12.663 11.368 -1.827 1.00 0.43 C ATOM 1203 CG ASN B 16 11.854 12.667 -1.808 1.00 0.55 C ATOM 1204 OD1 ASN B 16 12.256 13.636 -1.197 1.00 1.10 O ATOM 1205 ND2 ASN B 16 10.724 12.731 -2.459 1.00 0.69 N ATOM 0 H ASN B 16 15.228 10.297 -2.894 1.00 0.44 H new ATOM 0 HA ASN B 16 14.318 12.758 -1.537 1.00 0.41 H new ATOM 0 HB2 ASN B 16 12.480 10.826 -2.755 1.00 0.43 H new ATOM 0 HB3 ASN B 16 12.347 10.718 -1.011 1.00 0.43 H new ATOM 0 HD21 ASN B 16 10.181 13.594 -2.454 1.00 0.69 H new ATOM 0 HD22 ASN B 16 10.385 11.918 -2.973 1.00 0.69 H new ATOM 1212 N GLY B 17 14.768 9.658 -0.521 1.00 0.42 N ATOM 1213 CA GLY B 17 15.346 8.894 0.620 1.00 0.47 C ATOM 1214 C GLY B 17 16.224 7.760 0.084 1.00 0.46 C ATOM 1215 O GLY B 17 16.526 7.701 -1.091 1.00 0.49 O ATOM 0 H GLY B 17 14.404 9.089 -1.285 1.00 0.42 H new ATOM 0 HA2 GLY B 17 15.936 9.557 1.253 1.00 0.47 H new ATOM 0 HA3 GLY B 17 14.548 8.487 1.241 1.00 0.47 H new ATOM 1219 N GLN B 18 16.641 6.860 0.935 1.00 0.46 N ATOM 1220 CA GLN B 18 17.499 5.734 0.464 1.00 0.43 C ATOM 1221 C GLN B 18 16.793 4.390 0.685 1.00 0.43 C ATOM 1222 O GLN B 18 16.384 4.062 1.782 1.00 0.54 O ATOM 1223 CB GLN B 18 18.772 5.824 1.310 1.00 0.45 C ATOM 1224 CG GLN B 18 19.443 7.182 1.086 1.00 0.51 C ATOM 1225 CD GLN B 18 19.744 7.370 -0.400 1.00 0.56 C ATOM 1226 OE1 GLN B 18 20.011 6.416 -1.103 1.00 0.60 O ATOM 1227 NE2 GLN B 18 19.712 8.570 -0.912 1.00 0.61 N ATOM 0 H GLN B 18 16.426 6.856 1.932 1.00 0.46 H new ATOM 0 HA GLN B 18 17.714 5.800 -0.603 1.00 0.43 H new ATOM 0 HB2 GLN B 18 18.529 5.697 2.365 1.00 0.45 H new ATOM 0 HB3 GLN B 18 19.457 5.020 1.041 1.00 0.45 H new ATOM 0 HG2 GLN B 18 18.793 7.982 1.439 1.00 0.51 H new ATOM 0 HG3 GLN B 18 20.365 7.242 1.664 1.00 0.51 H new ATOM 0 HE21 GLN B 18 19.488 9.371 -0.321 1.00 0.61 H new ATOM 0 HE22 GLN B 18 19.911 8.707 -1.903 1.00 0.61 H new ATOM 1236 N ASP B 19 16.653 3.612 -0.355 1.00 0.38 N ATOM 1237 CA ASP B 19 15.984 2.281 -0.233 1.00 0.42 C ATOM 1238 C ASP B 19 14.651 2.400 0.516 1.00 0.37 C ATOM 1239 O ASP B 19 14.282 1.530 1.281 1.00 0.44 O ATOM 1240 CB ASP B 19 16.966 1.412 0.553 1.00 0.49 C ATOM 1241 CG ASP B 19 18.246 1.222 -0.263 1.00 0.46 C ATOM 1242 OD1 ASP B 19 18.157 0.664 -1.344 1.00 0.50 O ATOM 1243 OD2 ASP B 19 19.294 1.636 0.207 1.00 0.58 O ATOM 0 H ASP B 19 16.977 3.843 -1.294 1.00 0.38 H new ATOM 0 HA ASP B 19 15.750 1.857 -1.210 1.00 0.42 H new ATOM 0 HB2 ASP B 19 17.198 1.881 1.509 1.00 0.49 H new ATOM 0 HB3 ASP B 19 16.516 0.444 0.773 1.00 0.49 H new ATOM 1248 N ILE B 20 13.920 3.458 0.293 1.00 0.29 N ATOM 1249 CA ILE B 20 12.610 3.614 0.991 1.00 0.24 C ATOM 1250 C ILE B 20 11.512 4.023 -0.001 1.00 0.23 C ATOM 1251 O ILE B 20 11.787 4.490 -1.088 1.00 0.35 O ATOM 1252 CB ILE B 20 12.834 4.709 2.038 1.00 0.27 C ATOM 1253 CG1 ILE B 20 13.348 5.986 1.366 1.00 0.32 C ATOM 1254 CG2 ILE B 20 13.860 4.227 3.062 1.00 0.29 C ATOM 1255 CD1 ILE B 20 12.166 6.785 0.819 1.00 0.35 C ATOM 0 H ILE B 20 14.171 4.218 -0.339 1.00 0.29 H new ATOM 0 HA ILE B 20 12.281 2.681 1.449 1.00 0.24 H new ATOM 0 HB ILE B 20 11.888 4.925 2.535 1.00 0.27 H new ATOM 0 HG12 ILE B 20 13.907 6.588 2.083 1.00 0.32 H new ATOM 0 HG13 ILE B 20 14.035 5.733 0.558 1.00 0.32 H new ATOM 0 HG21 ILE B 20 14.022 5.004 3.809 1.00 0.29 H new ATOM 0 HG22 ILE B 20 13.490 3.326 3.551 1.00 0.29 H new ATOM 0 HG23 ILE B 20 14.801 4.007 2.558 1.00 0.29 H new ATOM 0 HD11 ILE B 20 12.531 7.694 0.341 1.00 0.35 H new ATOM 0 HD12 ILE B 20 11.626 6.182 0.089 1.00 0.35 H new ATOM 0 HD13 ILE B 20 11.496 7.050 1.637 1.00 0.35 H new ATOM 1267 N CYS B 21 10.270 3.845 0.373 1.00 0.23 N ATOM 1268 CA CYS B 21 9.142 4.216 -0.536 1.00 0.21 C ATOM 1269 C CYS B 21 7.805 3.790 0.087 1.00 0.19 C ATOM 1270 O CYS B 21 7.692 2.733 0.675 1.00 0.26 O ATOM 1271 CB CYS B 21 9.398 3.445 -1.835 1.00 0.30 C ATOM 1272 SG CYS B 21 9.113 4.538 -3.250 1.00 0.37 S ATOM 0 H CYS B 21 9.987 3.457 1.273 1.00 0.23 H new ATOM 0 HA CYS B 21 9.089 5.291 -0.709 1.00 0.21 H new ATOM 0 HB2 CYS B 21 10.421 3.069 -1.852 1.00 0.30 H new ATOM 0 HB3 CYS B 21 8.739 2.579 -1.892 1.00 0.30 H new ATOM 1277 N PHE B 22 6.788 4.600 -0.045 1.00 0.18 N ATOM 1278 CA PHE B 22 5.469 4.247 0.524 1.00 0.20 C ATOM 1279 C PHE B 22 4.370 5.056 -0.168 1.00 0.22 C ATOM 1280 O PHE B 22 4.632 5.846 -1.054 1.00 0.23 O ATOM 1281 CB PHE B 22 5.559 4.585 2.018 1.00 0.21 C ATOM 1282 CG PHE B 22 5.270 6.051 2.247 1.00 0.22 C ATOM 1283 CD1 PHE B 22 6.028 7.032 1.595 1.00 0.32 C ATOM 1284 CD2 PHE B 22 4.237 6.425 3.113 1.00 0.33 C ATOM 1285 CE1 PHE B 22 5.750 8.386 1.813 1.00 0.40 C ATOM 1286 CE2 PHE B 22 3.960 7.779 3.332 1.00 0.43 C ATOM 1287 CZ PHE B 22 4.716 8.760 2.682 1.00 0.43 C ATOM 0 H PHE B 22 6.822 5.498 -0.528 1.00 0.18 H new ATOM 0 HA PHE B 22 5.222 3.195 0.378 1.00 0.20 H new ATOM 0 HB2 PHE B 22 4.849 3.976 2.578 1.00 0.21 H new ATOM 0 HB3 PHE B 22 6.553 4.341 2.393 1.00 0.21 H new ATOM 0 HD1 PHE B 22 6.825 6.744 0.926 1.00 0.32 H new ATOM 0 HD2 PHE B 22 3.652 5.667 3.613 1.00 0.33 H new ATOM 0 HE1 PHE B 22 6.333 9.144 1.311 1.00 0.40 H new ATOM 0 HE2 PHE B 22 3.163 8.066 4.002 1.00 0.43 H new ATOM 0 HZ PHE B 22 4.503 9.805 2.850 1.00 0.43 H new ATOM 1297 N LEU B 23 3.145 4.865 0.225 1.00 0.23 N ATOM 1298 CA LEU B 23 2.033 5.629 -0.413 1.00 0.27 C ATOM 1299 C LEU B 23 1.231 6.376 0.657 1.00 0.27 C ATOM 1300 O LEU B 23 0.994 5.864 1.733 1.00 0.34 O ATOM 1301 CB LEU B 23 1.162 4.574 -1.096 1.00 0.34 C ATOM 1302 CG LEU B 23 0.137 5.266 -1.995 1.00 0.34 C ATOM 1303 CD1 LEU B 23 -0.100 4.419 -3.246 1.00 0.37 C ATOM 1304 CD2 LEU B 23 -1.178 5.430 -1.236 1.00 0.42 C ATOM 0 H LEU B 23 2.862 4.215 0.959 1.00 0.23 H new ATOM 0 HA LEU B 23 2.396 6.374 -1.121 1.00 0.27 H new ATOM 0 HB2 LEU B 23 1.783 3.900 -1.686 1.00 0.34 H new ATOM 0 HB3 LEU B 23 0.654 3.966 -0.348 1.00 0.34 H new ATOM 0 HG LEU B 23 0.514 6.246 -2.286 1.00 0.34 H new ATOM 0 HD11 LEU B 23 -0.831 4.913 -3.887 1.00 0.37 H new ATOM 0 HD12 LEU B 23 0.838 4.302 -3.789 1.00 0.37 H new ATOM 0 HD13 LEU B 23 -0.476 3.438 -2.955 1.00 0.37 H new ATOM 0 HD21 LEU B 23 -1.909 5.923 -1.877 1.00 0.42 H new ATOM 0 HD22 LEU B 23 -1.554 4.450 -0.944 1.00 0.42 H new ATOM 0 HD23 LEU B 23 -1.011 6.034 -0.344 1.00 0.42 H new ATOM 1316 N LYS B 24 0.812 7.584 0.377 1.00 0.26 N ATOM 1317 CA LYS B 24 0.028 8.349 1.394 1.00 0.28 C ATOM 1318 C LYS B 24 -1.349 8.735 0.836 1.00 0.32 C ATOM 1319 O LYS B 24 -1.457 9.487 -0.113 1.00 0.34 O ATOM 1320 CB LYS B 24 0.863 9.605 1.676 1.00 0.31 C ATOM 1321 CG LYS B 24 0.326 10.310 2.927 1.00 0.39 C ATOM 1322 CD LYS B 24 1.056 11.643 3.129 1.00 0.45 C ATOM 1323 CE LYS B 24 1.531 11.750 4.583 1.00 0.54 C ATOM 1324 NZ LYS B 24 2.063 13.135 4.718 1.00 0.71 N ATOM 0 H LYS B 24 0.977 8.071 -0.504 1.00 0.26 H new ATOM 0 HA LYS B 24 -0.152 7.764 2.296 1.00 0.28 H new ATOM 0 HB2 LYS B 24 1.909 9.334 1.820 1.00 0.31 H new ATOM 0 HB3 LYS B 24 0.823 10.280 0.821 1.00 0.31 H new ATOM 0 HG2 LYS B 24 -0.745 10.484 2.825 1.00 0.39 H new ATOM 0 HG3 LYS B 24 0.464 9.674 3.801 1.00 0.39 H new ATOM 0 HD2 LYS B 24 1.907 11.710 2.451 1.00 0.45 H new ATOM 0 HD3 LYS B 24 0.392 12.474 2.890 1.00 0.45 H new ATOM 0 HE2 LYS B 24 0.711 11.573 5.279 1.00 0.54 H new ATOM 0 HE3 LYS B 24 2.300 11.009 4.802 1.00 0.54 H new ATOM 0 HZ1 LYS B 24 2.407 13.282 5.689 1.00 0.71 H new ATOM 0 HZ2 LYS B 24 2.847 13.273 4.048 1.00 0.71 H new ATOM 0 HZ3 LYS B 24 1.307 13.819 4.511 1.00 0.71 H new ATOM 1338 N ALA B 25 -2.401 8.233 1.424 1.00 0.41 N ATOM 1339 CA ALA B 25 -3.768 8.579 0.937 1.00 0.47 C ATOM 1340 C ALA B 25 -4.598 9.151 2.089 1.00 0.49 C ATOM 1341 O ALA B 25 -4.811 8.502 3.093 1.00 0.52 O ATOM 1342 CB ALA B 25 -4.368 7.261 0.447 1.00 0.47 C ATOM 0 H ALA B 25 -2.373 7.598 2.221 1.00 0.41 H new ATOM 0 HA ALA B 25 -3.749 9.330 0.147 1.00 0.47 H new ATOM 0 HB1 ALA B 25 -5.377 7.437 0.073 1.00 0.47 H new ATOM 0 HB2 ALA B 25 -3.750 6.855 -0.354 1.00 0.47 H new ATOM 0 HB3 ALA B 25 -4.406 6.550 1.272 1.00 0.47 H new ATOM 1348 N GLN B 26 -5.059 10.363 1.960 1.00 0.51 N ATOM 1349 CA GLN B 26 -5.862 10.970 3.060 1.00 0.53 C ATOM 1350 C GLN B 26 -7.085 11.701 2.501 1.00 0.49 C ATOM 1351 O GLN B 26 -7.153 12.023 1.331 1.00 0.54 O ATOM 1352 CB GLN B 26 -4.910 11.953 3.738 1.00 0.60 C ATOM 1353 CG GLN B 26 -4.610 13.103 2.776 1.00 0.58 C ATOM 1354 CD GLN B 26 -3.210 13.655 3.058 1.00 0.89 C ATOM 1355 OE1 GLN B 26 -2.325 12.922 3.454 1.00 0.95 O ATOM 1356 NE2 GLN B 26 -2.971 14.923 2.870 1.00 1.23 N ATOM 0 H GLN B 26 -4.916 10.959 1.144 1.00 0.51 H new ATOM 0 HA GLN B 26 -6.243 10.220 3.752 1.00 0.53 H new ATOM 0 HB2 GLN B 26 -5.356 12.337 4.655 1.00 0.60 H new ATOM 0 HB3 GLN B 26 -3.986 11.448 4.020 1.00 0.60 H new ATOM 0 HG2 GLN B 26 -4.674 12.755 1.745 1.00 0.58 H new ATOM 0 HG3 GLN B 26 -5.353 13.892 2.893 1.00 0.58 H new ATOM 0 HE21 GLN B 26 -3.714 15.538 2.538 1.00 1.23 H new ATOM 0 HE22 GLN B 26 -2.041 15.300 3.055 1.00 1.23 H new ATOM 1365 N CYS B 27 -8.050 11.962 3.339 1.00 0.49 N ATOM 1366 CA CYS B 27 -9.280 12.670 2.878 1.00 0.44 C ATOM 1367 C CYS B 27 -9.245 14.135 3.330 1.00 0.38 C ATOM 1368 O CYS B 27 -8.871 14.439 4.445 1.00 0.43 O ATOM 1369 CB CYS B 27 -10.435 11.926 3.549 1.00 0.50 C ATOM 1370 SG CYS B 27 -12.006 12.536 2.892 1.00 0.50 S ATOM 0 H CYS B 27 -8.040 11.714 4.328 1.00 0.49 H new ATOM 0 HA CYS B 27 -9.376 12.676 1.792 1.00 0.44 H new ATOM 0 HB2 CYS B 27 -10.345 10.855 3.370 1.00 0.50 H new ATOM 0 HB3 CYS B 27 -10.398 12.073 4.628 1.00 0.50 H new ATOM 1375 N ASP B 28 -9.628 15.045 2.475 1.00 0.37 N ATOM 1376 CA ASP B 28 -9.607 16.487 2.863 1.00 0.36 C ATOM 1377 C ASP B 28 -11.010 17.100 2.786 1.00 0.35 C ATOM 1378 O ASP B 28 -11.721 16.934 1.816 1.00 0.44 O ATOM 1379 CB ASP B 28 -8.674 17.157 1.854 1.00 0.44 C ATOM 1380 CG ASP B 28 -7.233 16.728 2.134 1.00 0.52 C ATOM 1381 OD1 ASP B 28 -6.932 16.464 3.287 1.00 0.73 O ATOM 1382 OD2 ASP B 28 -6.457 16.675 1.194 1.00 0.51 O ATOM 0 H ASP B 28 -9.954 14.854 1.527 1.00 0.37 H new ATOM 0 HA ASP B 28 -9.269 16.622 3.890 1.00 0.36 H new ATOM 0 HB2 ASP B 28 -8.958 16.879 0.839 1.00 0.44 H new ATOM 0 HB3 ASP B 28 -8.763 18.241 1.924 1.00 0.44 H new ATOM 1387 N LYS B 29 -11.392 17.825 3.807 1.00 0.35 N ATOM 1388 CA LYS B 29 -12.735 18.488 3.840 1.00 0.41 C ATOM 1389 C LYS B 29 -13.795 17.708 3.052 1.00 0.46 C ATOM 1390 O LYS B 29 -14.111 18.031 1.923 1.00 0.56 O ATOM 1391 CB LYS B 29 -12.512 19.866 3.220 1.00 0.42 C ATOM 1392 CG LYS B 29 -12.513 20.917 4.330 1.00 0.49 C ATOM 1393 CD LYS B 29 -11.132 20.970 4.987 1.00 0.50 C ATOM 1394 CE LYS B 29 -10.998 22.271 5.778 1.00 0.63 C ATOM 1395 NZ LYS B 29 -11.673 22.005 7.079 1.00 0.98 N ATOM 0 H LYS B 29 -10.820 17.989 4.635 1.00 0.35 H new ATOM 0 HA LYS B 29 -13.116 18.541 4.860 1.00 0.41 H new ATOM 0 HB2 LYS B 29 -11.564 19.888 2.682 1.00 0.42 H new ATOM 0 HB3 LYS B 29 -13.296 20.084 2.495 1.00 0.42 H new ATOM 0 HG2 LYS B 29 -12.770 21.894 3.920 1.00 0.49 H new ATOM 0 HG3 LYS B 29 -13.272 20.674 5.074 1.00 0.49 H new ATOM 0 HD2 LYS B 29 -10.998 20.114 5.648 1.00 0.50 H new ATOM 0 HD3 LYS B 29 -10.353 20.911 4.227 1.00 0.50 H new ATOM 0 HE2 LYS B 29 -9.951 22.538 5.924 1.00 0.63 H new ATOM 0 HE3 LYS B 29 -11.468 23.102 5.253 1.00 0.63 H new ATOM 0 HZ1 LYS B 29 -11.622 22.854 7.677 1.00 0.98 H new ATOM 0 HZ2 LYS B 29 -12.670 21.761 6.909 1.00 0.98 H new ATOM 0 HZ3 LYS B 29 -11.200 21.214 7.560 1.00 0.98 H new ATOM 1409 N PHE B 30 -14.366 16.704 3.657 1.00 0.45 N ATOM 1410 CA PHE B 30 -15.436 15.912 2.973 1.00 0.50 C ATOM 1411 C PHE B 30 -15.015 15.511 1.553 1.00 0.48 C ATOM 1412 O PHE B 30 -15.377 16.153 0.588 1.00 0.52 O ATOM 1413 CB PHE B 30 -16.662 16.836 2.907 1.00 0.57 C ATOM 1414 CG PHE B 30 -16.702 17.771 4.098 1.00 0.62 C ATOM 1415 CD1 PHE B 30 -16.440 17.290 5.387 1.00 0.57 C ATOM 1416 CD2 PHE B 30 -17.002 19.125 3.905 1.00 0.80 C ATOM 1417 CE1 PHE B 30 -16.482 18.165 6.482 1.00 0.61 C ATOM 1418 CE2 PHE B 30 -17.043 20.000 4.999 1.00 0.88 C ATOM 1419 CZ PHE B 30 -16.782 19.519 6.288 1.00 0.75 C ATOM 0 H PHE B 30 -14.139 16.393 4.602 1.00 0.45 H new ATOM 0 HA PHE B 30 -15.639 14.989 3.516 1.00 0.50 H new ATOM 0 HB2 PHE B 30 -16.635 17.417 1.985 1.00 0.57 H new ATOM 0 HB3 PHE B 30 -17.572 16.237 2.880 1.00 0.57 H new ATOM 0 HD1 PHE B 30 -16.206 16.246 5.537 1.00 0.57 H new ATOM 0 HD2 PHE B 30 -17.202 19.496 2.911 1.00 0.80 H new ATOM 0 HE1 PHE B 30 -16.283 17.794 7.477 1.00 0.61 H new ATOM 0 HE2 PHE B 30 -17.276 21.044 4.848 1.00 0.88 H new ATOM 0 HZ PHE B 30 -16.812 20.192 7.132 1.00 0.75 H new ATOM 1429 N CYS B 31 -14.263 14.453 1.419 1.00 0.48 N ATOM 1430 CA CYS B 31 -13.829 14.000 0.072 1.00 0.48 C ATOM 1431 C CYS B 31 -14.967 14.146 -0.945 1.00 0.52 C ATOM 1432 O CYS B 31 -14.738 14.303 -2.128 1.00 0.67 O ATOM 1433 CB CYS B 31 -13.475 12.523 0.256 1.00 0.49 C ATOM 1434 SG CYS B 31 -11.788 12.378 0.891 1.00 0.52 S ATOM 0 H CYS B 31 -13.929 13.880 2.194 1.00 0.48 H new ATOM 0 HA CYS B 31 -12.993 14.588 -0.306 1.00 0.48 H new ATOM 0 HB2 CYS B 31 -14.176 12.054 0.947 1.00 0.49 H new ATOM 0 HB3 CYS B 31 -13.563 11.996 -0.694 1.00 0.49 H new ATOM 1439 N SER B 32 -16.190 14.084 -0.496 1.00 0.46 N ATOM 1440 CA SER B 32 -17.341 14.207 -1.437 1.00 0.50 C ATOM 1441 C SER B 32 -17.244 15.504 -2.246 1.00 0.41 C ATOM 1442 O SER B 32 -17.747 15.597 -3.348 1.00 0.47 O ATOM 1443 CB SER B 32 -18.581 14.227 -0.548 1.00 0.62 C ATOM 1444 OG SER B 32 -19.742 14.258 -1.369 1.00 0.70 O ATOM 0 H SER B 32 -16.443 13.953 0.483 1.00 0.46 H new ATOM 0 HA SER B 32 -17.364 13.389 -2.158 1.00 0.50 H new ATOM 0 HB2 SER B 32 -18.598 13.346 0.094 1.00 0.62 H new ATOM 0 HB3 SER B 32 -18.560 15.098 0.107 1.00 0.62 H new ATOM 0 HG SER B 32 -20.542 14.269 -0.804 1.00 0.70 H new ATOM 1450 N ILE B 33 -16.612 16.509 -1.705 1.00 0.36 N ATOM 1451 CA ILE B 33 -16.499 17.799 -2.444 1.00 0.38 C ATOM 1452 C ILE B 33 -15.028 18.136 -2.708 1.00 0.37 C ATOM 1453 O ILE B 33 -14.716 19.055 -3.436 1.00 0.48 O ATOM 1454 CB ILE B 33 -17.133 18.836 -1.518 1.00 0.49 C ATOM 1455 CG1 ILE B 33 -18.638 18.573 -1.413 1.00 0.58 C ATOM 1456 CG2 ILE B 33 -16.897 20.236 -2.084 1.00 0.75 C ATOM 1457 CD1 ILE B 33 -19.050 18.531 0.060 1.00 0.66 C ATOM 0 H ILE B 33 -16.170 16.494 -0.786 1.00 0.36 H new ATOM 0 HA ILE B 33 -16.990 17.764 -3.416 1.00 0.38 H new ATOM 0 HB ILE B 33 -16.682 18.764 -0.528 1.00 0.49 H new ATOM 0 HG12 ILE B 33 -19.191 19.355 -1.934 1.00 0.58 H new ATOM 0 HG13 ILE B 33 -18.887 17.629 -1.898 1.00 0.58 H new ATOM 0 HG21 ILE B 33 -17.349 20.976 -1.424 1.00 0.75 H new ATOM 0 HG22 ILE B 33 -15.826 20.422 -2.159 1.00 0.75 H new ATOM 0 HG23 ILE B 33 -17.348 20.309 -3.074 1.00 0.75 H new ATOM 0 HD11 ILE B 33 -20.121 18.344 0.133 1.00 0.66 H new ATOM 0 HD12 ILE B 33 -18.507 17.734 0.567 1.00 0.66 H new ATOM 0 HD13 ILE B 33 -18.816 19.486 0.531 1.00 0.66 H new ATOM 1469 N ARG B 34 -14.126 17.398 -2.126 1.00 0.34 N ATOM 1470 CA ARG B 34 -12.693 17.665 -2.344 1.00 0.42 C ATOM 1471 C ARG B 34 -12.012 16.440 -2.957 1.00 0.46 C ATOM 1472 O ARG B 34 -10.899 16.512 -3.438 1.00 0.59 O ATOM 1473 CB ARG B 34 -12.121 17.963 -0.959 1.00 0.48 C ATOM 1474 CG ARG B 34 -12.926 19.087 -0.305 1.00 0.53 C ATOM 1475 CD ARG B 34 -12.680 20.397 -1.058 1.00 0.67 C ATOM 1476 NE ARG B 34 -13.628 21.373 -0.455 1.00 0.81 N ATOM 1477 CZ ARG B 34 -13.581 22.631 -0.807 1.00 1.03 C ATOM 1478 NH1 ARG B 34 -12.802 23.461 -0.166 1.00 1.19 N ATOM 1479 NH2 ARG B 34 -14.306 23.055 -1.802 1.00 1.27 N ATOM 0 H ARG B 34 -14.330 16.616 -1.504 1.00 0.34 H new ATOM 0 HA ARG B 34 -12.532 18.494 -3.033 1.00 0.42 H new ATOM 0 HB2 ARG B 34 -12.157 17.067 -0.339 1.00 0.48 H new ATOM 0 HB3 ARG B 34 -11.073 18.252 -1.041 1.00 0.48 H new ATOM 0 HG2 ARG B 34 -13.988 18.842 -0.317 1.00 0.53 H new ATOM 0 HG3 ARG B 34 -12.636 19.196 0.740 1.00 0.53 H new ATOM 0 HD2 ARG B 34 -11.648 20.729 -0.946 1.00 0.67 H new ATOM 0 HD3 ARG B 34 -12.862 20.278 -2.126 1.00 0.67 H new ATOM 0 HE ARG B 34 -14.314 21.061 0.232 1.00 0.81 H new ATOM 0 HH11 ARG B 34 -12.230 23.128 0.610 1.00 1.19 H new ATOM 0 HH12 ARG B 34 -12.766 24.442 -0.441 1.00 1.19 H new ATOM 0 HH21 ARG B 34 -14.910 22.406 -2.306 1.00 1.27 H new ATOM 0 HH22 ARG B 34 -14.270 24.036 -2.077 1.00 1.27 H new ATOM 1493 N GLY B 35 -12.673 15.317 -2.934 1.00 0.45 N ATOM 1494 CA GLY B 35 -12.068 14.082 -3.506 1.00 0.60 C ATOM 1495 C GLY B 35 -10.800 13.734 -2.724 1.00 0.55 C ATOM 1496 O GLY B 35 -10.051 14.611 -2.338 1.00 0.53 O ATOM 0 H GLY B 35 -13.608 15.201 -2.543 1.00 0.45 H new ATOM 0 HA2 GLY B 35 -12.779 13.257 -3.455 1.00 0.60 H new ATOM 0 HA3 GLY B 35 -11.830 14.233 -4.559 1.00 0.60 H new ATOM 1500 N PRO B 36 -10.601 12.462 -2.510 1.00 0.64 N ATOM 1501 CA PRO B 36 -9.411 11.993 -1.756 1.00 0.62 C ATOM 1502 C PRO B 36 -8.136 12.207 -2.573 1.00 0.59 C ATOM 1503 O PRO B 36 -8.177 12.366 -3.777 1.00 0.60 O ATOM 1504 CB PRO B 36 -9.676 10.504 -1.560 1.00 0.70 C ATOM 1505 CG PRO B 36 -10.595 10.135 -2.679 1.00 0.74 C ATOM 1506 CD PRO B 36 -11.450 11.346 -2.945 1.00 0.84 C ATOM 0 HA PRO B 36 -9.266 12.528 -0.817 1.00 0.62 H new ATOM 0 HB2 PRO B 36 -8.751 9.928 -1.600 1.00 0.70 H new ATOM 0 HB3 PRO B 36 -10.133 10.307 -0.590 1.00 0.70 H new ATOM 0 HG2 PRO B 36 -10.031 9.855 -3.569 1.00 0.74 H new ATOM 0 HG3 PRO B 36 -11.211 9.277 -2.409 1.00 0.74 H new ATOM 0 HD2 PRO B 36 -11.713 11.428 -3.999 1.00 0.84 H new ATOM 0 HD3 PRO B 36 -12.384 11.309 -2.385 1.00 0.84 H new ATOM 1514 N VAL B 37 -7.001 12.212 -1.927 1.00 0.57 N ATOM 1515 CA VAL B 37 -5.722 12.414 -2.661 1.00 0.56 C ATOM 1516 C VAL B 37 -4.799 11.212 -2.469 1.00 0.51 C ATOM 1517 O VAL B 37 -5.070 10.317 -1.693 1.00 0.55 O ATOM 1518 CB VAL B 37 -5.129 13.687 -2.050 1.00 0.63 C ATOM 1519 CG1 VAL B 37 -4.284 13.350 -0.816 1.00 0.66 C ATOM 1520 CG2 VAL B 37 -4.259 14.397 -3.091 1.00 0.67 C ATOM 0 H VAL B 37 -6.906 12.084 -0.919 1.00 0.57 H new ATOM 0 HA VAL B 37 -5.862 12.511 -3.738 1.00 0.56 H new ATOM 0 HB VAL B 37 -5.945 14.342 -1.745 1.00 0.63 H new ATOM 0 HG11 VAL B 37 -3.871 14.267 -0.396 1.00 0.66 H new ATOM 0 HG12 VAL B 37 -4.909 12.859 -0.070 1.00 0.66 H new ATOM 0 HG13 VAL B 37 -3.470 12.684 -1.103 1.00 0.66 H new ATOM 0 HG21 VAL B 37 -3.837 15.303 -2.656 1.00 0.67 H new ATOM 0 HG22 VAL B 37 -3.452 13.735 -3.403 1.00 0.67 H new ATOM 0 HG23 VAL B 37 -4.868 14.660 -3.956 1.00 0.67 H new ATOM 1530 N ILE B 38 -3.725 11.177 -3.200 1.00 0.46 N ATOM 1531 CA ILE B 38 -2.794 10.028 -3.096 1.00 0.42 C ATOM 1532 C ILE B 38 -1.358 10.487 -3.403 1.00 0.32 C ATOM 1533 O ILE B 38 -1.068 10.977 -4.478 1.00 0.32 O ATOM 1534 CB ILE B 38 -3.348 9.060 -4.151 1.00 0.54 C ATOM 1535 CG1 ILE B 38 -4.204 7.994 -3.463 1.00 0.52 C ATOM 1536 CG2 ILE B 38 -2.218 8.372 -4.928 1.00 0.67 C ATOM 1537 CD1 ILE B 38 -5.657 8.128 -3.925 1.00 0.54 C ATOM 0 H ILE B 38 -3.452 11.898 -3.868 1.00 0.46 H new ATOM 0 HA ILE B 38 -2.737 9.571 -2.108 1.00 0.42 H new ATOM 0 HB ILE B 38 -3.949 9.635 -4.855 1.00 0.54 H new ATOM 0 HG12 ILE B 38 -3.826 7.000 -3.701 1.00 0.52 H new ATOM 0 HG13 ILE B 38 -4.144 8.107 -2.381 1.00 0.52 H new ATOM 0 HG21 ILE B 38 -2.645 7.694 -5.667 1.00 0.67 H new ATOM 0 HG22 ILE B 38 -1.613 9.125 -5.434 1.00 0.67 H new ATOM 0 HG23 ILE B 38 -1.592 7.808 -4.237 1.00 0.67 H new ATOM 0 HD11 ILE B 38 -6.266 7.369 -3.435 1.00 0.54 H new ATOM 0 HD12 ILE B 38 -6.032 9.118 -3.664 1.00 0.54 H new ATOM 0 HD13 ILE B 38 -5.709 7.993 -5.005 1.00 0.54 H new ATOM 1549 N GLU B 39 -0.460 10.341 -2.462 1.00 0.29 N ATOM 1550 CA GLU B 39 0.950 10.773 -2.697 1.00 0.24 C ATOM 1551 C GLU B 39 1.905 9.588 -2.514 1.00 0.26 C ATOM 1552 O GLU B 39 2.134 9.131 -1.412 1.00 0.34 O ATOM 1553 CB GLU B 39 1.212 11.840 -1.630 1.00 0.29 C ATOM 1554 CG GLU B 39 2.424 12.686 -2.028 1.00 0.45 C ATOM 1555 CD GLU B 39 2.229 14.122 -1.538 1.00 0.58 C ATOM 1556 OE1 GLU B 39 1.567 14.298 -0.527 1.00 0.60 O ATOM 1557 OE2 GLU B 39 2.741 15.023 -2.185 1.00 0.81 O ATOM 0 H GLU B 39 -0.643 9.941 -1.542 1.00 0.29 H new ATOM 0 HA GLU B 39 1.106 11.152 -3.707 1.00 0.24 H new ATOM 0 HB2 GLU B 39 0.334 12.477 -1.516 1.00 0.29 H new ATOM 0 HB3 GLU B 39 1.389 11.366 -0.665 1.00 0.29 H new ATOM 0 HG2 GLU B 39 3.332 12.264 -1.598 1.00 0.45 H new ATOM 0 HG3 GLU B 39 2.549 12.674 -3.111 1.00 0.45 H new ATOM 1564 N GLN B 40 2.469 9.089 -3.584 1.00 0.24 N ATOM 1565 CA GLN B 40 3.408 7.932 -3.458 1.00 0.27 C ATOM 1566 C GLN B 40 4.801 8.309 -3.975 1.00 0.25 C ATOM 1567 O GLN B 40 4.946 9.003 -4.961 1.00 0.40 O ATOM 1568 CB GLN B 40 2.802 6.815 -4.314 1.00 0.31 C ATOM 1569 CG GLN B 40 3.589 5.520 -4.089 1.00 0.32 C ATOM 1570 CD GLN B 40 2.791 4.333 -4.623 1.00 0.35 C ATOM 1571 OE1 GLN B 40 2.454 3.429 -3.885 1.00 0.44 O ATOM 1572 NE2 GLN B 40 2.466 4.297 -5.887 1.00 0.42 N ATOM 0 H GLN B 40 2.322 9.429 -4.534 1.00 0.24 H new ATOM 0 HA GLN B 40 3.530 7.624 -2.419 1.00 0.27 H new ATOM 0 HB2 GLN B 40 1.754 6.668 -4.051 1.00 0.31 H new ATOM 0 HB3 GLN B 40 2.830 7.093 -5.368 1.00 0.31 H new ATOM 0 HG2 GLN B 40 4.554 5.578 -4.592 1.00 0.32 H new ATOM 0 HG3 GLN B 40 3.791 5.386 -3.026 1.00 0.32 H new ATOM 0 HE21 GLN B 40 2.748 5.055 -6.508 1.00 0.42 H new ATOM 0 HE22 GLN B 40 1.930 3.511 -6.254 1.00 0.42 H new ATOM 1581 N GLY B 41 5.825 7.853 -3.309 1.00 0.29 N ATOM 1582 CA GLY B 41 7.213 8.173 -3.749 1.00 0.32 C ATOM 1583 C GLY B 41 8.187 7.807 -2.628 1.00 0.33 C ATOM 1584 O GLY B 41 8.026 6.803 -1.964 1.00 0.39 O ATOM 0 H GLY B 41 5.760 7.270 -2.475 1.00 0.29 H new ATOM 0 HA2 GLY B 41 7.458 7.620 -4.656 1.00 0.32 H new ATOM 0 HA3 GLY B 41 7.297 9.233 -3.990 1.00 0.32 H new ATOM 1588 N CYS B 42 9.191 8.610 -2.405 1.00 0.32 N ATOM 1589 CA CYS B 42 10.160 8.291 -1.317 1.00 0.35 C ATOM 1590 C CYS B 42 10.189 9.417 -0.282 1.00 0.38 C ATOM 1591 O CYS B 42 10.207 10.585 -0.617 1.00 0.54 O ATOM 1592 CB CYS B 42 11.518 8.167 -2.007 1.00 0.41 C ATOM 1593 SG CYS B 42 11.493 6.753 -3.135 1.00 0.43 S ATOM 0 H CYS B 42 9.382 9.467 -2.924 1.00 0.32 H new ATOM 0 HA CYS B 42 9.889 7.378 -0.787 1.00 0.35 H new ATOM 0 HB2 CYS B 42 11.743 9.081 -2.557 1.00 0.41 H new ATOM 0 HB3 CYS B 42 12.305 8.040 -1.264 1.00 0.41 H new ATOM 1598 N VAL B 43 10.199 9.069 0.975 1.00 0.27 N ATOM 1599 CA VAL B 43 10.236 10.106 2.043 1.00 0.30 C ATOM 1600 C VAL B 43 11.203 9.678 3.149 1.00 0.27 C ATOM 1601 O VAL B 43 12.093 10.413 3.529 1.00 0.37 O ATOM 1602 CB VAL B 43 8.806 10.177 2.577 1.00 0.31 C ATOM 1603 CG1 VAL B 43 8.785 10.980 3.878 1.00 0.42 C ATOM 1604 CG2 VAL B 43 7.908 10.862 1.542 1.00 0.48 C ATOM 0 H VAL B 43 10.183 8.106 1.310 1.00 0.27 H new ATOM 0 HA VAL B 43 10.578 11.073 1.674 1.00 0.30 H new ATOM 0 HB VAL B 43 8.440 9.168 2.767 1.00 0.31 H new ATOM 0 HG11 VAL B 43 7.765 11.030 4.258 1.00 0.42 H new ATOM 0 HG12 VAL B 43 9.424 10.494 4.616 1.00 0.42 H new ATOM 0 HG13 VAL B 43 9.152 11.989 3.689 1.00 0.42 H new ATOM 0 HG21 VAL B 43 6.888 10.913 1.922 1.00 0.48 H new ATOM 0 HG22 VAL B 43 8.275 11.871 1.352 1.00 0.48 H new ATOM 0 HG23 VAL B 43 7.921 10.291 0.614 1.00 0.48 H new ATOM 1614 N ALA B 44 11.043 8.489 3.663 1.00 0.21 N ATOM 1615 CA ALA B 44 11.961 8.011 4.740 1.00 0.24 C ATOM 1616 C ALA B 44 11.432 6.716 5.351 1.00 0.22 C ATOM 1617 O ALA B 44 11.813 5.629 4.964 1.00 0.29 O ATOM 1618 CB ALA B 44 11.967 9.123 5.789 1.00 0.35 C ATOM 0 H ALA B 44 10.318 7.828 3.385 1.00 0.21 H new ATOM 0 HA ALA B 44 12.961 7.803 4.358 1.00 0.24 H new ATOM 0 HB1 ALA B 44 12.622 8.842 6.614 1.00 0.35 H new ATOM 0 HB2 ALA B 44 12.328 10.047 5.338 1.00 0.35 H new ATOM 0 HB3 ALA B 44 10.955 9.274 6.165 1.00 0.35 H new ATOM 1624 N THR B 45 10.556 6.829 6.309 1.00 0.28 N ATOM 1625 CA THR B 45 9.997 5.609 6.955 1.00 0.42 C ATOM 1626 C THR B 45 8.470 5.663 6.929 1.00 0.41 C ATOM 1627 O THR B 45 7.873 6.722 6.946 1.00 0.48 O ATOM 1628 CB THR B 45 10.529 5.648 8.392 1.00 0.52 C ATOM 1629 OG1 THR B 45 10.219 4.428 9.047 1.00 0.68 O ATOM 1630 CG2 THR B 45 9.897 6.812 9.154 1.00 0.54 C ATOM 0 H THR B 45 10.202 7.714 6.673 1.00 0.28 H new ATOM 0 HA THR B 45 10.286 4.689 6.446 1.00 0.42 H new ATOM 0 HB THR B 45 11.610 5.784 8.367 1.00 0.52 H new ATOM 0 HG1 THR B 45 10.561 4.453 9.965 1.00 0.68 H new ATOM 0 HG21 THR B 45 10.282 6.831 10.174 1.00 0.54 H new ATOM 0 HG22 THR B 45 10.144 7.750 8.656 1.00 0.54 H new ATOM 0 HG23 THR B 45 8.814 6.687 9.177 1.00 0.54 H new ATOM 1638 N CYS B 46 7.831 4.528 6.873 1.00 0.38 N ATOM 1639 CA CYS B 46 6.343 4.514 6.831 1.00 0.41 C ATOM 1640 C CYS B 46 5.766 5.341 7.979 1.00 0.34 C ATOM 1641 O CYS B 46 6.222 5.251 9.103 1.00 0.39 O ATOM 1642 CB CYS B 46 5.946 3.049 7.010 1.00 0.48 C ATOM 1643 SG CYS B 46 6.064 2.172 5.434 1.00 0.46 S ATOM 0 H CYS B 46 8.275 3.610 6.855 1.00 0.38 H new ATOM 0 HA CYS B 46 5.967 4.938 5.900 1.00 0.41 H new ATOM 0 HB2 CYS B 46 6.595 2.576 7.747 1.00 0.48 H new ATOM 0 HB3 CYS B 46 4.928 2.985 7.395 1.00 0.48 H new ATOM 1648 N PRO B 47 4.761 6.105 7.659 1.00 0.41 N ATOM 1649 CA PRO B 47 4.087 6.939 8.677 1.00 0.49 C ATOM 1650 C PRO B 47 3.306 6.047 9.637 1.00 0.41 C ATOM 1651 O PRO B 47 3.318 4.841 9.519 1.00 0.32 O ATOM 1652 CB PRO B 47 3.146 7.820 7.858 1.00 0.62 C ATOM 1653 CG PRO B 47 2.906 7.052 6.600 1.00 0.58 C ATOM 1654 CD PRO B 47 4.161 6.268 6.329 1.00 0.53 C ATOM 0 HA PRO B 47 4.775 7.524 9.287 1.00 0.49 H new ATOM 0 HB2 PRO B 47 2.214 8.007 8.392 1.00 0.62 H new ATOM 0 HB3 PRO B 47 3.594 8.791 7.649 1.00 0.62 H new ATOM 0 HG2 PRO B 47 2.050 6.387 6.710 1.00 0.58 H new ATOM 0 HG3 PRO B 47 2.683 7.725 5.772 1.00 0.58 H new ATOM 0 HD2 PRO B 47 3.940 5.305 5.868 1.00 0.53 H new ATOM 0 HD3 PRO B 47 4.828 6.801 5.651 1.00 0.53 H new ATOM 1662 N GLN B 48 2.648 6.640 10.590 1.00 0.56 N ATOM 1663 CA GLN B 48 1.864 5.866 11.579 1.00 0.62 C ATOM 1664 C GLN B 48 0.757 5.074 10.881 1.00 0.55 C ATOM 1665 O GLN B 48 -0.416 5.274 11.126 1.00 0.70 O ATOM 1666 CB GLN B 48 1.260 6.922 12.503 1.00 0.86 C ATOM 1667 CG GLN B 48 1.867 6.803 13.904 1.00 0.93 C ATOM 1668 CD GLN B 48 0.767 6.437 14.902 1.00 0.91 C ATOM 1669 OE1 GLN B 48 -0.005 7.281 15.309 1.00 1.00 O ATOM 1670 NE2 GLN B 48 0.665 5.205 15.317 1.00 1.40 N ATOM 0 H GLN B 48 2.622 7.651 10.725 1.00 0.56 H new ATOM 0 HA GLN B 48 2.476 5.143 12.118 1.00 0.62 H new ATOM 0 HB2 GLN B 48 1.446 7.918 12.101 1.00 0.86 H new ATOM 0 HB3 GLN B 48 0.179 6.796 12.555 1.00 0.86 H new ATOM 0 HG2 GLN B 48 2.648 6.043 13.911 1.00 0.93 H new ATOM 0 HG3 GLN B 48 2.336 7.744 14.191 1.00 0.93 H new ATOM 0 HE21 GLN B 48 1.314 4.496 14.975 1.00 1.40 H new ATOM 0 HE22 GLN B 48 -0.064 4.950 15.984 1.00 1.40 H new ATOM 1679 N PHE B 49 1.133 4.184 10.010 1.00 0.36 N ATOM 1680 CA PHE B 49 0.126 3.363 9.269 1.00 0.26 C ATOM 1681 C PHE B 49 -1.032 2.985 10.196 1.00 0.28 C ATOM 1682 O PHE B 49 -0.829 2.604 11.331 1.00 0.38 O ATOM 1683 CB PHE B 49 0.883 2.107 8.836 1.00 0.26 C ATOM 1684 CG PHE B 49 1.297 2.225 7.386 1.00 0.22 C ATOM 1685 CD1 PHE B 49 2.453 2.937 7.041 1.00 0.25 C ATOM 1686 CD2 PHE B 49 0.530 1.611 6.384 1.00 0.26 C ATOM 1687 CE1 PHE B 49 2.840 3.036 5.697 1.00 0.26 C ATOM 1688 CE2 PHE B 49 0.920 1.711 5.041 1.00 0.27 C ATOM 1689 CZ PHE B 49 2.075 2.423 4.701 1.00 0.27 C ATOM 0 H PHE B 49 2.105 3.984 9.774 1.00 0.36 H new ATOM 0 HA PHE B 49 -0.300 3.901 8.422 1.00 0.26 H new ATOM 0 HB2 PHE B 49 1.763 1.969 9.464 1.00 0.26 H new ATOM 0 HB3 PHE B 49 0.253 1.228 8.972 1.00 0.26 H new ATOM 0 HD1 PHE B 49 3.046 3.410 7.810 1.00 0.25 H new ATOM 0 HD2 PHE B 49 -0.361 1.061 6.648 1.00 0.26 H new ATOM 0 HE1 PHE B 49 3.730 3.587 5.431 1.00 0.26 H new ATOM 0 HE2 PHE B 49 0.329 1.239 4.270 1.00 0.27 H new ATOM 0 HZ PHE B 49 2.376 2.499 3.667 1.00 0.27 H new ATOM 1699 N ARG B 50 -2.245 3.094 9.729 1.00 0.27 N ATOM 1700 CA ARG B 50 -3.401 2.741 10.600 1.00 0.30 C ATOM 1701 C ARG B 50 -4.658 2.476 9.768 1.00 0.30 C ATOM 1702 O ARG B 50 -4.754 2.857 8.618 1.00 0.34 O ATOM 1703 CB ARG B 50 -3.593 3.961 11.502 1.00 0.37 C ATOM 1704 CG ARG B 50 -3.873 5.195 10.643 1.00 0.40 C ATOM 1705 CD ARG B 50 -4.654 6.221 11.465 1.00 0.53 C ATOM 1706 NE ARG B 50 -3.831 6.434 12.687 1.00 0.49 N ATOM 1707 CZ ARG B 50 -3.762 7.619 13.224 1.00 0.58 C ATOM 1708 NH1 ARG B 50 -4.854 8.309 13.415 1.00 0.63 N ATOM 1709 NH2 ARG B 50 -2.604 8.113 13.569 1.00 0.81 N ATOM 0 H ARG B 50 -2.485 3.410 8.789 1.00 0.27 H new ATOM 0 HA ARG B 50 -3.220 1.829 11.170 1.00 0.30 H new ATOM 0 HB2 ARG B 50 -4.420 3.790 12.191 1.00 0.37 H new ATOM 0 HB3 ARG B 50 -2.701 4.122 12.108 1.00 0.37 H new ATOM 0 HG2 ARG B 50 -2.936 5.629 10.295 1.00 0.40 H new ATOM 0 HG3 ARG B 50 -4.442 4.913 9.757 1.00 0.40 H new ATOM 0 HD2 ARG B 50 -4.789 7.151 10.912 1.00 0.53 H new ATOM 0 HD3 ARG B 50 -5.648 5.852 11.717 1.00 0.53 H new ATOM 0 HE ARG B 50 -3.322 5.654 13.103 1.00 0.49 H new ATOM 0 HH11 ARG B 50 -5.757 7.920 13.144 1.00 0.63 H new ATOM 0 HH12 ARG B 50 -4.804 9.237 13.835 1.00 0.63 H new ATOM 0 HH21 ARG B 50 -1.753 7.571 13.418 1.00 0.81 H new ATOM 0 HH22 ARG B 50 -2.550 9.041 13.989 1.00 0.81 H new ATOM 1723 N SER B 51 -5.623 1.816 10.352 1.00 0.33 N ATOM 1724 CA SER B 51 -6.884 1.507 9.616 1.00 0.40 C ATOM 1725 C SER B 51 -7.794 2.738 9.524 1.00 0.42 C ATOM 1726 O SER B 51 -8.971 2.622 9.248 1.00 0.49 O ATOM 1727 CB SER B 51 -7.561 0.411 10.436 1.00 0.51 C ATOM 1728 OG SER B 51 -8.104 0.979 11.620 1.00 0.64 O ATOM 0 H SER B 51 -5.592 1.476 11.313 1.00 0.33 H new ATOM 0 HA SER B 51 -6.681 1.198 8.590 1.00 0.40 H new ATOM 0 HB2 SER B 51 -8.350 -0.062 9.851 1.00 0.51 H new ATOM 0 HB3 SER B 51 -6.841 -0.367 10.689 1.00 0.51 H new ATOM 0 HG SER B 51 -8.541 0.279 12.148 1.00 0.64 H new ATOM 1734 N ASN B 52 -7.278 3.915 9.758 1.00 0.40 N ATOM 1735 CA ASN B 52 -8.139 5.128 9.681 1.00 0.45 C ATOM 1736 C ASN B 52 -7.622 6.075 8.596 1.00 0.40 C ATOM 1737 O ASN B 52 -7.706 7.281 8.714 1.00 0.50 O ATOM 1738 CB ASN B 52 -8.040 5.781 11.059 1.00 0.51 C ATOM 1739 CG ASN B 52 -9.334 6.540 11.355 1.00 0.62 C ATOM 1740 OD1 ASN B 52 -10.265 6.502 10.577 1.00 0.61 O ATOM 1741 ND2 ASN B 52 -9.436 7.226 12.459 1.00 0.86 N ATOM 0 H ASN B 52 -6.302 4.088 9.998 1.00 0.40 H new ATOM 0 HA ASN B 52 -9.170 4.884 9.424 1.00 0.45 H new ATOM 0 HB2 ASN B 52 -7.868 5.022 11.822 1.00 0.51 H new ATOM 0 HB3 ASN B 52 -7.190 6.463 11.090 1.00 0.51 H new ATOM 0 HD21 ASN B 52 -10.298 7.730 12.668 1.00 0.86 H new ATOM 0 HD22 ASN B 52 -8.654 7.258 13.113 1.00 0.86 H new ATOM 1748 N TYR B 53 -7.104 5.532 7.530 1.00 0.39 N ATOM 1749 CA TYR B 53 -6.598 6.382 6.422 1.00 0.34 C ATOM 1750 C TYR B 53 -7.386 6.041 5.156 1.00 0.38 C ATOM 1751 O TYR B 53 -8.501 5.564 5.226 1.00 0.49 O ATOM 1752 CB TYR B 53 -5.123 5.999 6.268 1.00 0.31 C ATOM 1753 CG TYR B 53 -4.242 7.079 6.855 1.00 0.33 C ATOM 1754 CD1 TYR B 53 -4.402 7.471 8.189 1.00 0.40 C ATOM 1755 CD2 TYR B 53 -3.259 7.683 6.062 1.00 0.35 C ATOM 1756 CE1 TYR B 53 -3.576 8.465 8.730 1.00 0.43 C ATOM 1757 CE2 TYR B 53 -2.436 8.677 6.599 1.00 0.39 C ATOM 1758 CZ TYR B 53 -2.594 9.068 7.935 1.00 0.39 C ATOM 1759 OH TYR B 53 -1.779 10.045 8.468 1.00 0.44 O ATOM 0 H TYR B 53 -7.010 4.528 7.380 1.00 0.39 H new ATOM 0 HA TYR B 53 -6.708 7.450 6.608 1.00 0.34 H new ATOM 0 HB2 TYR B 53 -4.931 5.050 6.769 1.00 0.31 H new ATOM 0 HB3 TYR B 53 -4.884 5.857 5.214 1.00 0.31 H new ATOM 0 HD1 TYR B 53 -5.162 7.008 8.801 1.00 0.40 H new ATOM 0 HD2 TYR B 53 -3.136 7.380 5.033 1.00 0.35 H new ATOM 0 HE1 TYR B 53 -3.697 8.766 9.760 1.00 0.43 H new ATOM 0 HE2 TYR B 53 -1.679 9.143 5.985 1.00 0.39 H new ATOM 0 HH TYR B 53 -1.152 10.358 7.783 1.00 0.44 H new ATOM 1769 N ARG B 54 -6.827 6.269 4.004 1.00 0.37 N ATOM 1770 CA ARG B 54 -7.564 5.943 2.754 1.00 0.43 C ATOM 1771 C ARG B 54 -6.797 4.887 1.960 1.00 0.38 C ATOM 1772 O ARG B 54 -7.360 4.163 1.161 1.00 0.49 O ATOM 1773 CB ARG B 54 -7.612 7.252 1.974 1.00 0.52 C ATOM 1774 CG ARG B 54 -8.310 7.019 0.637 1.00 0.61 C ATOM 1775 CD ARG B 54 -9.788 6.735 0.887 1.00 0.67 C ATOM 1776 NE ARG B 54 -10.468 7.134 -0.372 1.00 0.70 N ATOM 1777 CZ ARG B 54 -10.656 6.255 -1.317 1.00 0.74 C ATOM 1778 NH1 ARG B 54 -11.331 5.167 -1.069 1.00 0.82 N ATOM 1779 NH2 ARG B 54 -10.172 6.465 -2.510 1.00 1.04 N ATOM 0 H ARG B 54 -5.896 6.665 3.873 1.00 0.37 H new ATOM 0 HA ARG B 54 -8.559 5.545 2.951 1.00 0.43 H new ATOM 0 HB2 ARG B 54 -8.144 8.011 2.548 1.00 0.52 H new ATOM 0 HB3 ARG B 54 -6.602 7.627 1.809 1.00 0.52 H new ATOM 0 HG2 ARG B 54 -8.199 7.894 -0.003 1.00 0.61 H new ATOM 0 HG3 ARG B 54 -7.850 6.181 0.114 1.00 0.61 H new ATOM 0 HD2 ARG B 54 -9.956 5.682 1.111 1.00 0.67 H new ATOM 0 HD3 ARG B 54 -10.162 7.305 1.737 1.00 0.67 H new ATOM 0 HE ARG B 54 -10.788 8.095 -0.497 1.00 0.70 H new ATOM 0 HH11 ARG B 54 -11.711 5.004 -0.137 1.00 0.82 H new ATOM 0 HH12 ARG B 54 -11.479 4.479 -1.807 1.00 0.82 H new ATOM 0 HH21 ARG B 54 -9.646 7.317 -2.704 1.00 1.04 H new ATOM 0 HH22 ARG B 54 -10.319 5.777 -3.249 1.00 1.04 H new ATOM 1793 N SER B 55 -5.513 4.795 2.174 1.00 0.28 N ATOM 1794 CA SER B 55 -4.699 3.789 1.431 1.00 0.24 C ATOM 1795 C SER B 55 -3.216 4.072 1.599 1.00 0.22 C ATOM 1796 O SER B 55 -2.672 4.980 1.005 1.00 0.28 O ATOM 1797 CB SER B 55 -5.103 3.934 -0.038 1.00 0.34 C ATOM 1798 OG SER B 55 -3.966 3.714 -0.863 1.00 0.41 O ATOM 0 H SER B 55 -4.991 5.374 2.832 1.00 0.28 H new ATOM 0 HA SER B 55 -4.875 2.779 1.802 1.00 0.24 H new ATOM 0 HB2 SER B 55 -5.888 3.219 -0.283 1.00 0.34 H new ATOM 0 HB3 SER B 55 -5.510 4.929 -0.218 1.00 0.34 H new ATOM 0 HG SER B 55 -4.222 3.805 -1.804 1.00 0.41 H new ATOM 1804 N LEU B 56 -2.559 3.287 2.396 1.00 0.21 N ATOM 1805 CA LEU B 56 -1.103 3.481 2.595 1.00 0.23 C ATOM 1806 C LEU B 56 -0.365 2.210 2.183 1.00 0.20 C ATOM 1807 O LEU B 56 -0.791 1.112 2.483 1.00 0.23 O ATOM 1808 CB LEU B 56 -0.929 3.730 4.092 1.00 0.23 C ATOM 1809 CG LEU B 56 -1.685 4.996 4.498 1.00 0.27 C ATOM 1810 CD1 LEU B 56 -2.056 4.915 5.980 1.00 0.29 C ATOM 1811 CD2 LEU B 56 -0.791 6.216 4.260 1.00 0.28 C ATOM 0 H LEU B 56 -2.970 2.515 2.921 1.00 0.21 H new ATOM 0 HA LEU B 56 -0.707 4.305 2.002 1.00 0.23 H new ATOM 0 HB2 LEU B 56 -1.301 2.876 4.658 1.00 0.23 H new ATOM 0 HB3 LEU B 56 0.129 3.835 4.332 1.00 0.23 H new ATOM 0 HG LEU B 56 -2.593 5.087 3.903 1.00 0.27 H new ATOM 0 HD11 LEU B 56 -2.595 5.817 6.270 1.00 0.29 H new ATOM 0 HD12 LEU B 56 -2.689 4.044 6.150 1.00 0.29 H new ATOM 0 HD13 LEU B 56 -1.149 4.826 6.578 1.00 0.29 H new ATOM 0 HD21 LEU B 56 -1.326 7.121 4.548 1.00 0.28 H new ATOM 0 HD22 LEU B 56 0.116 6.125 4.858 1.00 0.28 H new ATOM 0 HD23 LEU B 56 -0.525 6.272 3.204 1.00 0.28 H new ATOM 1823 N LEU B 57 0.741 2.344 1.519 1.00 0.22 N ATOM 1824 CA LEU B 57 1.502 1.133 1.117 1.00 0.23 C ATOM 1825 C LEU B 57 2.869 1.179 1.781 1.00 0.23 C ATOM 1826 O LEU B 57 3.707 1.991 1.447 1.00 0.31 O ATOM 1827 CB LEU B 57 1.631 1.214 -0.406 1.00 0.29 C ATOM 1828 CG LEU B 57 2.527 0.073 -0.893 1.00 0.27 C ATOM 1829 CD1 LEU B 57 1.759 -0.796 -1.892 1.00 0.25 C ATOM 1830 CD2 LEU B 57 3.773 0.650 -1.570 1.00 0.37 C ATOM 0 H LEU B 57 1.152 3.234 1.237 1.00 0.22 H new ATOM 0 HA LEU B 57 1.015 0.204 1.414 1.00 0.23 H new ATOM 0 HB2 LEU B 57 0.648 1.145 -0.871 1.00 0.29 H new ATOM 0 HB3 LEU B 57 2.054 2.175 -0.697 1.00 0.29 H new ATOM 0 HG LEU B 57 2.827 -0.536 -0.040 1.00 0.27 H new ATOM 0 HD11 LEU B 57 2.400 -1.607 -2.237 1.00 0.25 H new ATOM 0 HD12 LEU B 57 0.875 -1.212 -1.408 1.00 0.25 H new ATOM 0 HD13 LEU B 57 1.454 -0.188 -2.744 1.00 0.25 H new ATOM 0 HD21 LEU B 57 4.409 -0.165 -1.916 1.00 0.37 H new ATOM 0 HD22 LEU B 57 3.474 1.263 -2.420 1.00 0.37 H new ATOM 0 HD23 LEU B 57 4.324 1.263 -0.857 1.00 0.37 H new ATOM 1842 N CYS B 58 3.092 0.331 2.740 1.00 0.21 N ATOM 1843 CA CYS B 58 4.399 0.351 3.436 1.00 0.21 C ATOM 1844 C CYS B 58 5.352 -0.647 2.797 1.00 0.20 C ATOM 1845 O CYS B 58 5.185 -1.842 2.914 1.00 0.34 O ATOM 1846 CB CYS B 58 4.095 -0.055 4.876 1.00 0.26 C ATOM 1847 SG CYS B 58 5.547 0.275 5.905 1.00 0.35 S ATOM 0 H CYS B 58 2.429 -0.371 3.070 1.00 0.21 H new ATOM 0 HA CYS B 58 4.875 1.330 3.381 1.00 0.21 H new ATOM 0 HB2 CYS B 58 3.235 0.501 5.250 1.00 0.26 H new ATOM 0 HB3 CYS B 58 3.835 -1.112 4.921 1.00 0.26 H new ATOM 1852 N CYS B 59 6.357 -0.164 2.138 1.00 0.26 N ATOM 1853 CA CYS B 59 7.337 -1.078 1.505 1.00 0.30 C ATOM 1854 C CYS B 59 8.698 -0.820 2.129 1.00 0.33 C ATOM 1855 O CYS B 59 9.386 -1.722 2.563 1.00 0.44 O ATOM 1856 CB CYS B 59 7.340 -0.704 0.023 1.00 0.42 C ATOM 1857 SG CYS B 59 7.181 -2.200 -0.978 1.00 0.59 S ATOM 0 H CYS B 59 6.544 0.830 2.009 1.00 0.26 H new ATOM 0 HA CYS B 59 7.095 -2.132 1.640 1.00 0.30 H new ATOM 0 HB2 CYS B 59 6.518 -0.021 -0.192 1.00 0.42 H new ATOM 0 HB3 CYS B 59 8.263 -0.182 -0.229 1.00 0.42 H new ATOM 1862 N THR B 60 9.072 0.421 2.198 1.00 0.33 N ATOM 1863 CA THR B 60 10.372 0.775 2.819 1.00 0.41 C ATOM 1864 C THR B 60 11.479 -0.131 2.266 1.00 0.50 C ATOM 1865 O THR B 60 12.498 -0.338 2.896 1.00 0.56 O ATOM 1866 CB THR B 60 10.163 0.556 4.328 1.00 0.42 C ATOM 1867 OG1 THR B 60 10.398 -0.806 4.644 1.00 0.43 O ATOM 1868 CG2 THR B 60 8.725 0.933 4.727 1.00 0.37 C ATOM 0 H THR B 60 8.530 1.211 1.849 1.00 0.33 H new ATOM 0 HA THR B 60 10.678 1.799 2.607 1.00 0.41 H new ATOM 0 HB THR B 60 10.861 1.188 4.877 1.00 0.42 H new ATOM 0 HG1 THR B 60 9.769 -1.370 4.148 1.00 0.43 H new ATOM 0 HG21 THR B 60 8.591 0.773 5.797 1.00 0.37 H new ATOM 0 HG22 THR B 60 8.545 1.982 4.491 1.00 0.37 H new ATOM 0 HG23 THR B 60 8.020 0.311 4.176 1.00 0.37 H new ATOM 1876 N THR B 61 11.290 -0.664 1.084 1.00 0.54 N ATOM 1877 CA THR B 61 12.336 -1.547 0.482 1.00 0.63 C ATOM 1878 C THR B 61 12.753 -1.020 -0.896 1.00 0.64 C ATOM 1879 O THR B 61 13.713 -1.480 -1.480 1.00 0.70 O ATOM 1880 CB THR B 61 11.692 -2.927 0.356 1.00 0.68 C ATOM 1881 OG1 THR B 61 10.435 -2.814 -0.296 1.00 0.63 O ATOM 1882 CG2 THR B 61 11.500 -3.530 1.748 1.00 0.69 C ATOM 0 H THR B 61 10.458 -0.526 0.511 1.00 0.54 H new ATOM 0 HA THR B 61 13.236 -1.580 1.096 1.00 0.63 H new ATOM 0 HB THR B 61 12.341 -3.575 -0.232 1.00 0.68 H new ATOM 0 HG1 THR B 61 10.558 -2.396 -1.174 1.00 0.63 H new ATOM 0 HG21 THR B 61 11.041 -4.514 1.658 1.00 0.69 H new ATOM 0 HG22 THR B 61 12.468 -3.625 2.240 1.00 0.69 H new ATOM 0 HG23 THR B 61 10.854 -2.881 2.340 1.00 0.69 H new ATOM 1890 N ASP B 62 12.046 -0.053 -1.417 1.00 0.64 N ATOM 1891 CA ASP B 62 12.417 0.505 -2.754 1.00 0.64 C ATOM 1892 C ASP B 62 12.362 -0.582 -3.839 1.00 0.66 C ATOM 1893 O ASP B 62 12.628 -1.740 -3.584 1.00 0.79 O ATOM 1894 CB ASP B 62 13.852 1.007 -2.569 1.00 0.66 C ATOM 1895 CG ASP B 62 14.243 1.911 -3.740 1.00 0.65 C ATOM 1896 OD1 ASP B 62 13.791 3.044 -3.764 1.00 0.63 O ATOM 1897 OD2 ASP B 62 14.991 1.457 -4.591 1.00 0.78 O ATOM 0 H ASP B 62 11.230 0.375 -0.978 1.00 0.64 H new ATOM 0 HA ASP B 62 11.735 1.291 -3.077 1.00 0.64 H new ATOM 0 HB2 ASP B 62 13.936 1.556 -1.631 1.00 0.66 H new ATOM 0 HB3 ASP B 62 14.537 0.161 -2.507 1.00 0.66 H new ATOM 1902 N ASN B 63 12.018 -0.210 -5.045 1.00 0.63 N ATOM 1903 CA ASN B 63 11.945 -1.208 -6.157 1.00 0.65 C ATOM 1904 C ASN B 63 10.921 -2.299 -5.830 1.00 0.65 C ATOM 1905 O ASN B 63 11.142 -3.467 -6.088 1.00 0.72 O ATOM 1906 CB ASN B 63 13.348 -1.808 -6.257 1.00 0.73 C ATOM 1907 CG ASN B 63 13.547 -2.402 -7.655 1.00 0.77 C ATOM 1908 OD1 ASN B 63 13.859 -3.568 -7.791 1.00 0.72 O ATOM 1909 ND2 ASN B 63 13.376 -1.646 -8.706 1.00 0.98 N ATOM 0 H ASN B 63 11.783 0.747 -5.310 1.00 0.63 H new ATOM 0 HA ASN B 63 11.632 -0.748 -7.094 1.00 0.65 H new ATOM 0 HB2 ASN B 63 14.098 -1.041 -6.065 1.00 0.73 H new ATOM 0 HB3 ASN B 63 13.481 -2.580 -5.499 1.00 0.73 H new ATOM 0 HD21 ASN B 63 13.504 -2.035 -9.640 1.00 0.98 H new ATOM 0 HD22 ASN B 63 13.114 -0.667 -8.593 1.00 0.98 H new ATOM 1916 N CYS B 64 9.806 -1.930 -5.263 1.00 0.62 N ATOM 1917 CA CYS B 64 8.769 -2.945 -4.911 1.00 0.64 C ATOM 1918 C CYS B 64 7.989 -3.394 -6.155 1.00 0.64 C ATOM 1919 O CYS B 64 7.037 -4.142 -6.058 1.00 0.72 O ATOM 1920 CB CYS B 64 7.841 -2.239 -3.925 1.00 0.58 C ATOM 1921 SG CYS B 64 8.675 -2.059 -2.330 1.00 0.61 S ATOM 0 H CYS B 64 9.566 -0.967 -5.027 1.00 0.62 H new ATOM 0 HA CYS B 64 9.215 -3.845 -4.487 1.00 0.64 H new ATOM 0 HB2 CYS B 64 7.560 -1.260 -4.312 1.00 0.58 H new ATOM 0 HB3 CYS B 64 6.921 -2.810 -3.803 1.00 0.58 H new ATOM 1926 N ASN B 65 8.379 -2.943 -7.316 1.00 0.59 N ATOM 1927 CA ASN B 65 7.657 -3.349 -8.562 1.00 0.59 C ATOM 1928 C ASN B 65 6.171 -2.999 -8.461 1.00 0.57 C ATOM 1929 O ASN B 65 5.323 -3.727 -8.939 1.00 0.61 O ATOM 1930 CB ASN B 65 7.821 -4.868 -8.650 1.00 0.58 C ATOM 1931 CG ASN B 65 9.283 -5.223 -8.920 1.00 0.69 C ATOM 1932 OD1 ASN B 65 10.071 -5.340 -8.004 1.00 1.03 O ATOM 1933 ND2 ASN B 65 9.679 -5.408 -10.148 1.00 0.80 N ATOM 0 H ASN B 65 9.166 -2.311 -7.459 1.00 0.59 H new ATOM 0 HA ASN B 65 8.054 -2.836 -9.438 1.00 0.59 H new ATOM 0 HB2 ASN B 65 7.492 -5.332 -7.720 1.00 0.58 H new ATOM 0 HB3 ASN B 65 7.189 -5.264 -9.445 1.00 0.58 H new ATOM 0 HD21 ASN B 65 10.651 -5.651 -10.339 1.00 0.80 H new ATOM 0 HD22 ASN B 65 9.017 -5.310 -10.918 1.00 0.80 H new ATOM 1940 N HIS B 66 5.837 -1.899 -7.847 1.00 0.57 N ATOM 1941 CA HIS B 66 4.413 -1.529 -7.732 1.00 0.56 C ATOM 1942 C HIS B 66 4.265 -0.042 -7.399 1.00 0.59 C ATOM 1943 O HIS B 66 5.209 0.525 -6.874 1.00 0.67 O ATOM 1944 CB HIS B 66 3.863 -2.404 -6.606 1.00 0.55 C ATOM 1945 CG HIS B 66 2.633 -3.130 -7.087 1.00 0.51 C ATOM 1946 ND1 HIS B 66 2.690 -4.402 -7.641 1.00 0.58 N ATOM 1947 CD2 HIS B 66 1.306 -2.776 -7.101 1.00 0.45 C ATOM 1948 CE1 HIS B 66 1.433 -4.761 -7.962 1.00 0.56 C ATOM 1949 NE2 HIS B 66 0.551 -3.807 -7.653 1.00 0.48 N ATOM 1950 OXT HIS B 66 3.209 0.503 -7.678 1.00 0.61 O ATOM 0 H HIS B 66 6.494 -1.244 -7.422 1.00 0.57 H new ATOM 0 HA HIS B 66 3.872 -1.687 -8.665 1.00 0.56 H new ATOM 0 HB2 HIS B 66 4.619 -3.121 -6.286 1.00 0.55 H new ATOM 0 HB3 HIS B 66 3.620 -1.789 -5.739 1.00 0.55 H new ATOM 0 HD2 HIS B 66 0.908 -1.839 -6.739 1.00 0.45 H new ATOM 0 HE1 HIS B 66 1.170 -5.706 -8.414 1.00 0.56 H new ATOM 0 HE2 HIS B 66 -0.459 -3.829 -7.792 1.00 0.48 H new TER 1958 HIS B 66