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 26 GLN : amide:sc= -1.57 K(o=-1.6,f=-5!) USER MOD Set 1.2: B 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 66 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.3) USER MOD Set 3.1: B 8 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 10 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 66 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.7) USER MOD Set 5.1: A 26 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.4!) USER MOD Set 5.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 6 SER OG : rot 110:sc= 0.496 USER MOD Set 7.2: B 6 SER OG : rot -174:sc= 0.0643 USER MOD Single : A 1 ARG N :NH3+ 144:sc= 0.957 (180deg=-0.435) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.65) USER MOD Single : A 13 THR OG1 : rot -170:sc= -9.21! USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00053 USER MOD Single : A 40 GLN : amide:sc= -3.85! C(o=-3.8!,f=-4.4!) 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= -1.31 K(o=-1.3,f=-0.092) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 61 THR OG1 : rot -11:sc= 0.842 USER MOD Single : A 63 ASN : amide:sc= -0.883 K(o=-0.88,f=0.32) USER MOD Single : A 65 ASN : amide:sc= -1.88! C(o=-1.9!,f=-5.2!) USER MOD Single : B 1 ARG N :NH3+ 149:sc= 0.996 (180deg=-0.372) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 GLN : amide:sc= -0.0936 K(o=-0.094,f=-0.68) USER MOD Single : B 13 THR OG1 : rot -63:sc= -9.02! USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.8!) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -4.08! C(o=-4.1!,f=-4.9!) 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= -1.32 K(o=-1.3,f=-0.072) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot 180:sc= -0.0303 USER MOD Single : B 61 THR OG1 : rot -11:sc= 0.899 USER MOD Single : B 63 ASN : amide:sc= -0.921 K(o=-0.92,f=0.25) USER MOD Single : B 65 ASN : amide:sc= -1.77! C(o=-1.8!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -17.403 -3.123 -0.313 1.00 0.42 N ATOM 2 CA ARG A 1 -17.822 -4.378 -1.002 1.00 0.32 C ATOM 3 C ARG A 1 -16.782 -4.786 -2.043 1.00 0.29 C ATOM 4 O ARG A 1 -16.298 -5.901 -2.049 1.00 0.36 O ATOM 5 CB ARG A 1 -19.148 -4.040 -1.685 1.00 0.29 C ATOM 6 CG ARG A 1 -19.913 -5.335 -1.967 1.00 0.33 C ATOM 7 CD ARG A 1 -21.360 -5.202 -1.481 1.00 0.38 C ATOM 8 NE ARG A 1 -21.294 -5.421 -0.008 1.00 0.40 N ATOM 9 CZ ARG A 1 -22.348 -5.846 0.637 1.00 0.52 C ATOM 10 NH1 ARG A 1 -23.365 -5.048 0.821 1.00 0.85 N ATOM 11 NH2 ARG A 1 -22.389 -7.066 1.096 1.00 0.53 N ATOM 0 H1 ARG A 1 -18.241 -2.542 -0.110 1.00 0.42 H new ATOM 0 H2 ARG A 1 -16.922 -3.360 0.578 1.00 0.42 H new ATOM 0 H3 ARG A 1 -16.753 -2.591 -0.926 1.00 0.42 H new ATOM 0 HA ARG A 1 -17.921 -5.210 -0.305 1.00 0.32 H new ATOM 0 HB2 ARG A 1 -19.742 -3.384 -1.049 1.00 0.29 H new ATOM 0 HB3 ARG A 1 -18.965 -3.502 -2.615 1.00 0.29 H new ATOM 0 HG2 ARG A 1 -19.897 -5.552 -3.035 1.00 0.33 H new ATOM 0 HG3 ARG A 1 -19.427 -6.172 -1.465 1.00 0.33 H new ATOM 0 HD2 ARG A 1 -21.766 -4.218 -1.716 1.00 0.38 H new ATOM 0 HD3 ARG A 1 -22.007 -5.937 -1.961 1.00 0.38 H new ATOM 0 HE ARG A 1 -20.426 -5.239 0.496 1.00 0.40 H new ATOM 0 HH11 ARG A 1 -23.336 -4.094 0.461 1.00 0.85 H new ATOM 0 HH12 ARG A 1 -24.188 -5.379 1.324 1.00 0.85 H new ATOM 0 HH21 ARG A 1 -21.597 -7.692 0.952 1.00 0.53 H new ATOM 0 HH22 ARG A 1 -23.213 -7.394 1.599 1.00 0.53 H new ATOM 27 N THR A 2 -16.438 -3.897 -2.934 1.00 0.29 N ATOM 28 CA THR A 2 -15.437 -4.251 -3.977 1.00 0.32 C ATOM 29 C THR A 2 -14.245 -3.285 -3.938 1.00 0.38 C ATOM 30 O THR A 2 -14.369 -2.144 -3.536 1.00 0.43 O ATOM 31 CB THR A 2 -16.161 -4.100 -5.304 1.00 0.32 C ATOM 32 OG1 THR A 2 -17.399 -4.795 -5.252 1.00 0.36 O ATOM 33 CG2 THR A 2 -15.281 -4.697 -6.396 1.00 0.34 C ATOM 0 H THR A 2 -16.805 -2.947 -2.984 1.00 0.29 H new ATOM 0 HA THR A 2 -15.049 -5.258 -3.824 1.00 0.32 H new ATOM 0 HB THR A 2 -16.357 -3.048 -5.512 1.00 0.32 H new ATOM 0 HG1 THR A 2 -17.866 -4.696 -6.108 1.00 0.36 H new ATOM 0 HG21 THR A 2 -15.781 -4.600 -7.360 1.00 0.34 H new ATOM 0 HG22 THR A 2 -14.329 -4.167 -6.426 1.00 0.34 H new ATOM 0 HG23 THR A 2 -15.103 -5.751 -6.184 1.00 0.34 H new ATOM 41 N CYS A 3 -13.100 -3.730 -4.381 1.00 0.37 N ATOM 42 CA CYS A 3 -11.897 -2.854 -4.410 1.00 0.41 C ATOM 43 C CYS A 3 -11.220 -3.011 -5.765 1.00 0.40 C ATOM 44 O CYS A 3 -11.578 -3.873 -6.546 1.00 0.42 O ATOM 45 CB CYS A 3 -10.985 -3.359 -3.288 1.00 0.46 C ATOM 46 SG CYS A 3 -10.363 -5.011 -3.704 1.00 0.45 S ATOM 0 H CYS A 3 -12.947 -4.677 -4.728 1.00 0.37 H new ATOM 0 HA CYS A 3 -12.136 -1.800 -4.268 1.00 0.41 H new ATOM 0 HB2 CYS A 3 -10.152 -2.671 -3.146 1.00 0.46 H new ATOM 0 HB3 CYS A 3 -11.534 -3.393 -2.347 1.00 0.46 H new ATOM 51 N LEU A 4 -10.256 -2.201 -6.070 1.00 0.44 N ATOM 52 CA LEU A 4 -9.593 -2.340 -7.390 1.00 0.43 C ATOM 53 C LEU A 4 -8.115 -2.654 -7.207 1.00 0.45 C ATOM 54 O LEU A 4 -7.473 -2.177 -6.293 1.00 0.46 O ATOM 55 CB LEU A 4 -9.783 -0.991 -8.083 1.00 0.47 C ATOM 56 CG LEU A 4 -11.277 -0.641 -8.153 1.00 0.45 C ATOM 57 CD1 LEU A 4 -11.497 0.412 -9.237 1.00 0.54 C ATOM 58 CD2 LEU A 4 -12.103 -1.889 -8.494 1.00 0.48 C ATOM 0 H LEU A 4 -9.899 -1.456 -5.472 1.00 0.44 H new ATOM 0 HA LEU A 4 -10.016 -3.154 -7.978 1.00 0.43 H new ATOM 0 HB2 LEU A 4 -9.244 -0.215 -7.539 1.00 0.47 H new ATOM 0 HB3 LEU A 4 -9.362 -1.027 -9.088 1.00 0.47 H new ATOM 0 HG LEU A 4 -11.595 -0.257 -7.184 1.00 0.45 H new ATOM 0 HD11 LEU A 4 -12.556 0.664 -9.290 1.00 0.54 H new ATOM 0 HD12 LEU A 4 -10.923 1.307 -8.997 1.00 0.54 H new ATOM 0 HD13 LEU A 4 -11.169 0.018 -10.199 1.00 0.54 H new ATOM 0 HD21 LEU A 4 -13.159 -1.625 -8.540 1.00 0.48 H new ATOM 0 HD22 LEU A 4 -11.785 -2.283 -9.459 1.00 0.48 H new ATOM 0 HD23 LEU A 4 -11.952 -2.647 -7.725 1.00 0.48 H new ATOM 70 N ILE A 5 -7.578 -3.463 -8.068 1.00 0.48 N ATOM 71 CA ILE A 5 -6.149 -3.828 -7.962 1.00 0.52 C ATOM 72 C ILE A 5 -5.437 -3.521 -9.278 1.00 0.53 C ATOM 73 O ILE A 5 -6.051 -3.422 -10.323 1.00 0.53 O ATOM 74 CB ILE A 5 -6.158 -5.330 -7.672 1.00 0.56 C ATOM 75 CG1 ILE A 5 -7.200 -6.027 -8.555 1.00 0.51 C ATOM 76 CG2 ILE A 5 -6.506 -5.555 -6.202 1.00 0.65 C ATOM 77 CD1 ILE A 5 -7.200 -7.525 -8.259 1.00 0.53 C ATOM 0 H ILE A 5 -8.075 -3.891 -8.849 1.00 0.48 H new ATOM 0 HA ILE A 5 -5.622 -3.272 -7.187 1.00 0.52 H new ATOM 0 HB ILE A 5 -5.173 -5.745 -7.887 1.00 0.56 H new ATOM 0 HG12 ILE A 5 -8.189 -5.609 -8.368 1.00 0.51 H new ATOM 0 HG13 ILE A 5 -6.975 -5.854 -9.607 1.00 0.51 H new ATOM 0 HG21 ILE A 5 -6.514 -6.624 -5.989 1.00 0.65 H new ATOM 0 HG22 ILE A 5 -5.762 -5.065 -5.573 1.00 0.65 H new ATOM 0 HG23 ILE A 5 -7.490 -5.136 -5.993 1.00 0.65 H new ATOM 0 HD11 ILE A 5 -7.941 -8.020 -8.887 1.00 0.53 H new ATOM 0 HD12 ILE A 5 -6.213 -7.937 -8.469 1.00 0.53 H new ATOM 0 HD13 ILE A 5 -7.446 -7.689 -7.210 1.00 0.53 H new ATOM 89 N SER A 6 -4.149 -3.353 -9.236 1.00 0.61 N ATOM 90 CA SER A 6 -3.408 -3.039 -10.482 1.00 0.66 C ATOM 91 C SER A 6 -3.300 -4.271 -11.401 1.00 0.68 C ATOM 92 O SER A 6 -3.429 -4.138 -12.600 1.00 0.70 O ATOM 93 CB SER A 6 -2.029 -2.578 -10.022 1.00 0.76 C ATOM 94 OG SER A 6 -2.157 -1.342 -9.329 1.00 0.93 O ATOM 0 H SER A 6 -3.578 -3.420 -8.393 1.00 0.61 H new ATOM 0 HA SER A 6 -3.919 -2.276 -11.069 1.00 0.66 H new ATOM 0 HB2 SER A 6 -1.579 -3.329 -9.372 1.00 0.76 H new ATOM 0 HB3 SER A 6 -1.366 -2.461 -10.880 1.00 0.76 H new ATOM 0 HG SER A 6 -1.981 -1.482 -8.375 1.00 0.93 H new ATOM 100 N PRO A 7 -3.062 -5.437 -10.833 1.00 0.73 N ATOM 101 CA PRO A 7 -2.941 -6.662 -11.670 1.00 0.79 C ATOM 102 C PRO A 7 -4.294 -7.074 -12.274 1.00 0.68 C ATOM 103 O PRO A 7 -4.350 -7.871 -13.187 1.00 0.70 O ATOM 104 CB PRO A 7 -2.441 -7.723 -10.694 1.00 0.92 C ATOM 105 CG PRO A 7 -2.891 -7.246 -9.354 1.00 0.90 C ATOM 106 CD PRO A 7 -2.877 -5.741 -9.404 1.00 0.79 C ATOM 0 HA PRO A 7 -2.275 -6.515 -12.520 1.00 0.79 H new ATOM 0 HB2 PRO A 7 -2.858 -8.703 -10.926 1.00 0.92 H new ATOM 0 HB3 PRO A 7 -1.356 -7.820 -10.736 1.00 0.92 H new ATOM 0 HG2 PRO A 7 -3.891 -7.616 -9.127 1.00 0.90 H new ATOM 0 HG3 PRO A 7 -2.229 -7.613 -8.570 1.00 0.90 H new ATOM 0 HD2 PRO A 7 -3.675 -5.313 -8.797 1.00 0.79 H new ATOM 0 HD3 PRO A 7 -1.938 -5.337 -9.027 1.00 0.79 H new ATOM 114 N SER A 8 -5.385 -6.549 -11.778 1.00 0.63 N ATOM 115 CA SER A 8 -6.711 -6.938 -12.350 1.00 0.59 C ATOM 116 C SER A 8 -7.511 -5.699 -12.753 1.00 0.48 C ATOM 117 O SER A 8 -8.118 -5.655 -13.806 1.00 0.49 O ATOM 118 CB SER A 8 -7.432 -7.692 -11.235 1.00 0.77 C ATOM 119 OG SER A 8 -8.254 -8.695 -11.814 1.00 0.89 O ATOM 0 H SER A 8 -5.417 -5.876 -11.012 1.00 0.63 H new ATOM 0 HA SER A 8 -6.596 -7.547 -13.247 1.00 0.59 H new ATOM 0 HB2 SER A 8 -6.708 -8.143 -10.556 1.00 0.77 H new ATOM 0 HB3 SER A 8 -8.037 -7.004 -10.645 1.00 0.77 H new ATOM 0 HG SER A 8 -8.720 -9.186 -11.105 1.00 0.89 H new ATOM 125 N SER A 9 -7.527 -4.697 -11.925 1.00 0.43 N ATOM 126 CA SER A 9 -8.297 -3.469 -12.265 1.00 0.39 C ATOM 127 C SER A 9 -9.738 -3.836 -12.630 1.00 0.31 C ATOM 128 O SER A 9 -10.199 -3.599 -13.730 1.00 0.38 O ATOM 129 CB SER A 9 -7.564 -2.857 -13.459 1.00 0.48 C ATOM 130 OG SER A 9 -7.598 -1.440 -13.352 1.00 0.50 O ATOM 0 H SER A 9 -7.042 -4.673 -11.028 1.00 0.43 H new ATOM 0 HA SER A 9 -8.355 -2.769 -11.431 1.00 0.39 H new ATOM 0 HB2 SER A 9 -6.532 -3.207 -13.486 1.00 0.48 H new ATOM 0 HB3 SER A 9 -8.033 -3.175 -14.390 1.00 0.48 H new ATOM 0 HG SER A 9 -7.128 -1.043 -14.115 1.00 0.50 H new ATOM 136 N THR A 10 -10.452 -4.415 -11.708 1.00 0.33 N ATOM 137 CA THR A 10 -11.868 -4.802 -11.979 1.00 0.36 C ATOM 138 C THR A 10 -12.716 -4.582 -10.722 1.00 0.28 C ATOM 139 O THR A 10 -12.201 -4.595 -9.623 1.00 0.35 O ATOM 140 CB THR A 10 -11.810 -6.289 -12.342 1.00 0.56 C ATOM 141 OG1 THR A 10 -11.505 -7.048 -11.181 1.00 0.68 O ATOM 142 CG2 THR A 10 -10.726 -6.514 -13.402 1.00 0.71 C ATOM 0 H THR A 10 -10.116 -4.639 -10.771 1.00 0.33 H new ATOM 0 HA THR A 10 -12.319 -4.210 -12.776 1.00 0.36 H new ATOM 0 HB THR A 10 -12.775 -6.605 -12.738 1.00 0.56 H new ATOM 0 HG1 THR A 10 -11.469 -8.000 -11.412 1.00 0.68 H new ATOM 0 HG21 THR A 10 -10.684 -7.572 -13.661 1.00 0.71 H new ATOM 0 HG22 THR A 10 -10.962 -5.932 -14.293 1.00 0.71 H new ATOM 0 HG23 THR A 10 -9.760 -6.199 -13.007 1.00 0.71 H new ATOM 150 N PRO A 11 -13.989 -4.377 -10.928 1.00 0.28 N ATOM 151 CA PRO A 11 -14.912 -4.140 -9.796 1.00 0.30 C ATOM 152 C PRO A 11 -15.319 -5.450 -9.112 1.00 0.25 C ATOM 153 O PRO A 11 -16.468 -5.845 -9.164 1.00 0.29 O ATOM 154 CB PRO A 11 -16.121 -3.479 -10.455 1.00 0.47 C ATOM 155 CG PRO A 11 -16.094 -3.922 -11.887 1.00 0.52 C ATOM 156 CD PRO A 11 -14.680 -4.343 -12.220 1.00 0.46 C ATOM 0 HA PRO A 11 -14.459 -3.532 -9.012 1.00 0.30 H new ATOM 0 HB2 PRO A 11 -17.048 -3.783 -9.968 1.00 0.47 H new ATOM 0 HB3 PRO A 11 -16.063 -2.393 -10.380 1.00 0.47 H new ATOM 0 HG2 PRO A 11 -16.785 -4.751 -12.043 1.00 0.52 H new ATOM 0 HG3 PRO A 11 -16.415 -3.112 -12.542 1.00 0.52 H new ATOM 0 HD2 PRO A 11 -14.661 -5.319 -12.705 1.00 0.46 H new ATOM 0 HD3 PRO A 11 -14.207 -3.638 -12.904 1.00 0.46 H new ATOM 164 N GLN A 12 -14.402 -6.124 -8.464 1.00 0.22 N ATOM 165 CA GLN A 12 -14.776 -7.396 -7.778 1.00 0.23 C ATOM 166 C GLN A 12 -13.777 -7.720 -6.660 1.00 0.25 C ATOM 167 O GLN A 12 -12.841 -8.469 -6.863 1.00 0.35 O ATOM 168 CB GLN A 12 -14.719 -8.459 -8.874 1.00 0.29 C ATOM 169 CG GLN A 12 -15.431 -9.729 -8.397 1.00 0.35 C ATOM 170 CD GLN A 12 -14.827 -10.943 -9.104 1.00 0.45 C ATOM 171 OE1 GLN A 12 -13.621 -11.071 -9.193 1.00 0.76 O ATOM 172 NE2 GLN A 12 -15.617 -11.850 -9.612 1.00 0.69 N ATOM 0 H GLN A 12 -13.422 -5.852 -8.381 1.00 0.22 H new ATOM 0 HA GLN A 12 -15.758 -7.339 -7.309 1.00 0.23 H new ATOM 0 HB2 GLN A 12 -15.191 -8.085 -9.782 1.00 0.29 H new ATOM 0 HB3 GLN A 12 -13.682 -8.683 -9.123 1.00 0.29 H new ATOM 0 HG2 GLN A 12 -15.327 -9.834 -7.317 1.00 0.35 H new ATOM 0 HG3 GLN A 12 -16.498 -9.663 -8.610 1.00 0.35 H new ATOM 0 HE21 GLN A 12 -16.629 -11.744 -9.538 1.00 0.69 H new ATOM 0 HE22 GLN A 12 -15.222 -12.664 -10.083 1.00 0.69 H new ATOM 181 N THR A 13 -13.962 -7.188 -5.471 1.00 0.27 N ATOM 182 CA THR A 13 -12.997 -7.526 -4.390 1.00 0.33 C ATOM 183 C THR A 13 -12.999 -9.015 -4.237 1.00 0.33 C ATOM 184 O THR A 13 -12.042 -9.713 -4.512 1.00 0.38 O ATOM 185 CB THR A 13 -13.544 -7.000 -3.075 1.00 0.39 C ATOM 186 OG1 THR A 13 -13.488 -5.591 -3.030 1.00 0.41 O ATOM 187 CG2 THR A 13 -12.717 -7.558 -1.913 1.00 0.49 C ATOM 0 H THR A 13 -14.718 -6.554 -5.214 1.00 0.27 H new ATOM 0 HA THR A 13 -12.015 -7.116 -4.625 1.00 0.33 H new ATOM 0 HB THR A 13 -14.583 -7.318 -2.992 1.00 0.39 H new ATOM 0 HG1 THR A 13 -13.695 -5.284 -2.123 1.00 0.41 H new ATOM 0 HG21 THR A 13 -13.112 -7.179 -0.970 1.00 0.49 H new ATOM 0 HG22 THR A 13 -12.771 -8.647 -1.918 1.00 0.49 H new ATOM 0 HG23 THR A 13 -11.678 -7.246 -2.023 1.00 0.49 H new ATOM 195 N CYS A 14 -14.122 -9.490 -3.777 1.00 0.32 N ATOM 196 CA CYS A 14 -14.288 -10.920 -3.564 1.00 0.33 C ATOM 197 C CYS A 14 -15.773 -11.268 -3.474 1.00 0.30 C ATOM 198 O CYS A 14 -16.604 -10.394 -3.319 1.00 0.37 O ATOM 199 CB CYS A 14 -13.586 -11.224 -2.239 1.00 0.38 C ATOM 200 SG CYS A 14 -11.833 -11.553 -2.529 1.00 0.44 S ATOM 0 H CYS A 14 -14.936 -8.923 -3.541 1.00 0.32 H new ATOM 0 HA CYS A 14 -13.868 -11.505 -4.383 1.00 0.33 H new ATOM 0 HB2 CYS A 14 -13.698 -10.381 -1.557 1.00 0.38 H new ATOM 0 HB3 CYS A 14 -14.052 -12.086 -1.761 1.00 0.38 H new ATOM 205 N PRO A 15 -16.053 -12.538 -3.555 1.00 0.31 N ATOM 206 CA PRO A 15 -17.452 -13.021 -3.466 1.00 0.35 C ATOM 207 C PRO A 15 -17.994 -12.847 -2.043 1.00 0.31 C ATOM 208 O PRO A 15 -19.154 -13.094 -1.780 1.00 0.54 O ATOM 209 CB PRO A 15 -17.350 -14.496 -3.852 1.00 0.46 C ATOM 210 CG PRO A 15 -15.935 -14.877 -3.555 1.00 0.41 C ATOM 211 CD PRO A 15 -15.099 -13.634 -3.736 1.00 0.35 C ATOM 0 HA PRO A 15 -18.138 -12.471 -4.110 1.00 0.35 H new ATOM 0 HB2 PRO A 15 -18.051 -15.103 -3.279 1.00 0.46 H new ATOM 0 HB3 PRO A 15 -17.586 -14.645 -4.906 1.00 0.46 H new ATOM 0 HG2 PRO A 15 -15.843 -15.259 -2.538 1.00 0.41 H new ATOM 0 HG3 PRO A 15 -15.600 -15.669 -4.225 1.00 0.41 H new ATOM 0 HD2 PRO A 15 -14.292 -13.586 -3.005 1.00 0.35 H new ATOM 0 HD3 PRO A 15 -14.638 -13.603 -4.723 1.00 0.35 H new ATOM 219 N ASN A 16 -17.168 -12.416 -1.121 1.00 0.26 N ATOM 220 CA ASN A 16 -17.656 -12.222 0.280 1.00 0.33 C ATOM 221 C ASN A 16 -16.819 -11.160 1.004 1.00 0.22 C ATOM 222 O ASN A 16 -15.795 -10.720 0.516 1.00 0.27 O ATOM 223 CB ASN A 16 -17.477 -13.585 0.949 1.00 0.57 C ATOM 224 CG ASN A 16 -18.663 -13.870 1.873 1.00 0.75 C ATOM 225 OD1 ASN A 16 -18.537 -13.814 3.080 1.00 0.76 O ATOM 226 ND2 ASN A 16 -19.819 -14.170 1.348 1.00 1.01 N ATOM 0 H ASN A 16 -16.185 -12.192 -1.276 1.00 0.26 H new ATOM 0 HA ASN A 16 -18.690 -11.878 0.308 1.00 0.33 H new ATOM 0 HB2 ASN A 16 -17.399 -14.365 0.191 1.00 0.57 H new ATOM 0 HB3 ASN A 16 -16.548 -13.601 1.519 1.00 0.57 H new ATOM 0 HD21 ASN A 16 -20.620 -14.358 1.951 1.00 1.01 H new ATOM 0 HD22 ASN A 16 -19.922 -14.216 0.334 1.00 1.01 H new ATOM 233 N GLY A 17 -17.243 -10.755 2.172 1.00 0.30 N ATOM 234 CA GLY A 17 -16.468 -9.736 2.934 1.00 0.31 C ATOM 235 C GLY A 17 -16.849 -8.332 2.470 1.00 0.33 C ATOM 236 O GLY A 17 -16.621 -7.958 1.339 1.00 0.47 O ATOM 0 H GLY A 17 -18.092 -11.086 2.630 1.00 0.30 H new ATOM 0 HA2 GLY A 17 -16.665 -9.841 4.001 1.00 0.31 H new ATOM 0 HA3 GLY A 17 -15.400 -9.898 2.790 1.00 0.31 H new ATOM 240 N GLN A 18 -17.423 -7.553 3.342 1.00 0.32 N ATOM 241 CA GLN A 18 -17.821 -6.167 2.967 1.00 0.37 C ATOM 242 C GLN A 18 -16.596 -5.311 2.616 1.00 0.27 C ATOM 243 O GLN A 18 -16.566 -4.651 1.594 1.00 0.39 O ATOM 244 CB GLN A 18 -18.524 -5.626 4.212 1.00 0.55 C ATOM 245 CG GLN A 18 -19.989 -6.060 4.188 1.00 0.81 C ATOM 246 CD GLN A 18 -20.846 -5.002 4.884 1.00 1.05 C ATOM 247 OE1 GLN A 18 -20.330 -4.020 5.378 1.00 1.34 O ATOM 248 NE2 GLN A 18 -22.138 -5.158 4.940 1.00 1.02 N ATOM 0 H GLN A 18 -17.635 -7.817 4.304 1.00 0.32 H new ATOM 0 HA GLN A 18 -18.459 -6.147 2.084 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -18.036 -6.000 5.112 1.00 0.55 H new ATOM 0 HB3 GLN A 18 -18.454 -4.539 4.240 1.00 0.55 H new ATOM 0 HG2 GLN A 18 -20.323 -6.194 3.159 1.00 0.81 H new ATOM 0 HG3 GLN A 18 -20.103 -7.022 4.688 1.00 0.81 H new ATOM 0 HE21 GLN A 18 -22.571 -5.983 4.525 1.00 1.02 H new ATOM 0 HE22 GLN A 18 -22.717 -4.455 5.399 1.00 1.02 H new ATOM 257 N ASP A 19 -15.588 -5.302 3.452 1.00 0.29 N ATOM 258 CA ASP A 19 -14.382 -4.472 3.146 1.00 0.37 C ATOM 259 C ASP A 19 -13.096 -5.283 3.342 1.00 0.39 C ATOM 260 O ASP A 19 -12.236 -4.917 4.119 1.00 0.52 O ATOM 261 CB ASP A 19 -14.436 -3.309 4.143 1.00 0.50 C ATOM 262 CG ASP A 19 -15.389 -2.230 3.631 1.00 0.61 C ATOM 263 OD1 ASP A 19 -16.586 -2.465 3.651 1.00 0.58 O ATOM 264 OD2 ASP A 19 -14.907 -1.182 3.228 1.00 0.83 O ATOM 0 H ASP A 19 -15.547 -5.828 4.325 1.00 0.29 H new ATOM 0 HA ASP A 19 -14.379 -4.130 2.111 1.00 0.37 H new ATOM 0 HB2 ASP A 19 -14.769 -3.668 5.117 1.00 0.50 H new ATOM 0 HB3 ASP A 19 -13.439 -2.890 4.281 1.00 0.50 H new ATOM 269 N ILE A 20 -12.946 -6.375 2.642 1.00 0.30 N ATOM 270 CA ILE A 20 -11.701 -7.182 2.803 1.00 0.31 C ATOM 271 C ILE A 20 -10.907 -7.197 1.489 1.00 0.35 C ATOM 272 O ILE A 20 -11.296 -7.828 0.524 1.00 0.43 O ATOM 273 CB ILE A 20 -12.188 -8.584 3.163 1.00 0.33 C ATOM 274 CG1 ILE A 20 -13.039 -8.512 4.434 1.00 0.37 C ATOM 275 CG2 ILE A 20 -10.986 -9.500 3.412 1.00 0.38 C ATOM 276 CD1 ILE A 20 -13.375 -9.926 4.911 1.00 0.40 C ATOM 0 H ILE A 20 -13.623 -6.741 1.973 1.00 0.30 H new ATOM 0 HA ILE A 20 -11.035 -6.777 3.565 1.00 0.31 H new ATOM 0 HB ILE A 20 -12.783 -8.982 2.341 1.00 0.33 H new ATOM 0 HG12 ILE A 20 -12.500 -7.973 5.214 1.00 0.37 H new ATOM 0 HG13 ILE A 20 -13.956 -7.956 4.238 1.00 0.37 H new ATOM 0 HG21 ILE A 20 -11.337 -10.499 3.669 1.00 0.38 H new ATOM 0 HG22 ILE A 20 -10.374 -9.550 2.511 1.00 0.38 H new ATOM 0 HG23 ILE A 20 -10.390 -9.103 4.234 1.00 0.38 H new ATOM 0 HD11 ILE A 20 -13.981 -9.871 5.816 1.00 0.40 H new ATOM 0 HD12 ILE A 20 -13.931 -10.450 4.134 1.00 0.40 H new ATOM 0 HD13 ILE A 20 -12.453 -10.467 5.124 1.00 0.40 H new ATOM 288 N CYS A 21 -9.799 -6.499 1.441 1.00 0.29 N ATOM 289 CA CYS A 21 -8.983 -6.464 0.187 1.00 0.29 C ATOM 290 C CYS A 21 -7.649 -5.751 0.442 1.00 0.25 C ATOM 291 O CYS A 21 -7.603 -4.546 0.584 1.00 0.25 O ATOM 292 CB CYS A 21 -9.840 -5.667 -0.798 1.00 0.32 C ATOM 293 SG CYS A 21 -8.922 -5.367 -2.328 1.00 0.37 S ATOM 0 H CYS A 21 -9.424 -5.952 2.216 1.00 0.29 H new ATOM 0 HA CYS A 21 -8.739 -7.459 -0.185 1.00 0.29 H new ATOM 0 HB2 CYS A 21 -10.757 -6.213 -1.017 1.00 0.32 H new ATOM 0 HB3 CYS A 21 -10.134 -4.718 -0.350 1.00 0.32 H new ATOM 298 N PHE A 22 -6.562 -6.481 0.498 1.00 0.23 N ATOM 299 CA PHE A 22 -5.242 -5.843 0.741 1.00 0.23 C ATOM 300 C PHE A 22 -4.104 -6.735 0.232 1.00 0.24 C ATOM 301 O PHE A 22 -4.322 -7.793 -0.327 1.00 0.29 O ATOM 302 CB PHE A 22 -5.142 -5.663 2.259 1.00 0.29 C ATOM 303 CG PHE A 22 -4.741 -6.974 2.885 1.00 0.27 C ATOM 304 CD1 PHE A 22 -5.664 -8.017 2.968 1.00 0.30 C ATOM 305 CD2 PHE A 22 -3.434 -7.149 3.353 1.00 0.31 C ATOM 306 CE1 PHE A 22 -5.284 -9.241 3.526 1.00 0.31 C ATOM 307 CE2 PHE A 22 -3.053 -8.371 3.915 1.00 0.33 C ATOM 308 CZ PHE A 22 -3.977 -9.420 4.003 1.00 0.31 C ATOM 0 H PHE A 22 -6.538 -7.494 0.385 1.00 0.23 H new ATOM 0 HA PHE A 22 -5.156 -4.893 0.214 1.00 0.23 H new ATOM 0 HB2 PHE A 22 -4.410 -4.892 2.499 1.00 0.29 H new ATOM 0 HB3 PHE A 22 -6.099 -5.331 2.662 1.00 0.29 H new ATOM 0 HD1 PHE A 22 -6.671 -7.879 2.602 1.00 0.30 H new ATOM 0 HD2 PHE A 22 -2.721 -6.341 3.280 1.00 0.31 H new ATOM 0 HE1 PHE A 22 -5.997 -10.049 3.590 1.00 0.31 H new ATOM 0 HE2 PHE A 22 -2.046 -8.506 4.281 1.00 0.33 H new ATOM 0 HZ PHE A 22 -3.684 -10.364 4.437 1.00 0.31 H new ATOM 318 N LEU A 23 -2.892 -6.305 0.434 1.00 0.25 N ATOM 319 CA LEU A 23 -1.722 -7.108 -0.020 1.00 0.29 C ATOM 320 C LEU A 23 -0.779 -7.368 1.156 1.00 0.27 C ATOM 321 O LEU A 23 -0.651 -6.544 2.041 1.00 0.32 O ATOM 322 CB LEU A 23 -1.037 -6.228 -1.060 1.00 0.37 C ATOM 323 CG LEU A 23 0.047 -7.027 -1.776 1.00 0.45 C ATOM 324 CD1 LEU A 23 0.325 -6.389 -3.136 1.00 0.71 C ATOM 325 CD2 LEU A 23 1.325 -7.011 -0.936 1.00 0.47 C ATOM 0 H LEU A 23 -2.659 -5.427 0.897 1.00 0.25 H new ATOM 0 HA LEU A 23 -2.010 -8.079 -0.422 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.769 -5.863 -1.780 1.00 0.37 H new ATOM 0 HB3 LEU A 23 -0.600 -5.353 -0.579 1.00 0.37 H new ATOM 0 HG LEU A 23 -0.285 -8.056 -1.915 1.00 0.45 H new ATOM 0 HD11 LEU A 23 1.099 -6.956 -3.652 1.00 0.71 H new ATOM 0 HD12 LEU A 23 -0.587 -6.393 -3.733 1.00 0.71 H new ATOM 0 HD13 LEU A 23 0.661 -5.362 -2.994 1.00 0.71 H new ATOM 0 HD21 LEU A 23 2.102 -7.581 -1.445 1.00 0.47 H new ATOM 0 HD22 LEU A 23 1.659 -5.982 -0.801 1.00 0.47 H new ATOM 0 HD23 LEU A 23 1.126 -7.458 0.038 1.00 0.47 H new ATOM 337 N LYS A 24 -0.113 -8.492 1.186 1.00 0.27 N ATOM 338 CA LYS A 24 0.807 -8.749 2.328 1.00 0.28 C ATOM 339 C LYS A 24 2.174 -9.241 1.848 1.00 0.30 C ATOM 340 O LYS A 24 2.301 -10.307 1.281 1.00 0.37 O ATOM 341 CB LYS A 24 0.130 -9.829 3.168 1.00 0.28 C ATOM 342 CG LYS A 24 0.821 -9.893 4.530 1.00 0.36 C ATOM 343 CD LYS A 24 0.024 -10.788 5.479 1.00 0.42 C ATOM 344 CE LYS A 24 0.851 -11.038 6.740 1.00 0.58 C ATOM 345 NZ LYS A 24 1.202 -12.481 6.691 1.00 0.70 N ATOM 0 H LYS A 24 -0.165 -9.229 0.483 1.00 0.27 H new ATOM 0 HA LYS A 24 0.986 -7.835 2.894 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -0.929 -9.603 3.292 1.00 0.28 H new ATOM 0 HB3 LYS A 24 0.194 -10.794 2.666 1.00 0.28 H new ATOM 0 HG2 LYS A 24 1.833 -10.281 4.416 1.00 0.36 H new ATOM 0 HG3 LYS A 24 0.909 -8.891 4.950 1.00 0.36 H new ATOM 0 HD2 LYS A 24 -0.923 -10.314 5.738 1.00 0.42 H new ATOM 0 HD3 LYS A 24 -0.216 -11.733 4.992 1.00 0.42 H new ATOM 0 HE2 LYS A 24 1.745 -10.415 6.755 1.00 0.58 H new ATOM 0 HE3 LYS A 24 0.282 -10.801 7.639 1.00 0.58 H new ATOM 0 HZ1 LYS A 24 1.771 -12.728 7.526 1.00 0.70 H new ATOM 0 HZ2 LYS A 24 0.331 -13.050 6.684 1.00 0.70 H new ATOM 0 HZ3 LYS A 24 1.750 -12.676 5.829 1.00 0.70 H new ATOM 359 N ALA A 25 3.203 -8.477 2.097 1.00 0.29 N ATOM 360 CA ALA A 25 4.567 -8.904 1.685 1.00 0.31 C ATOM 361 C ALA A 25 5.488 -8.932 2.907 1.00 0.31 C ATOM 362 O ALA A 25 5.735 -7.921 3.533 1.00 0.34 O ATOM 363 CB ALA A 25 5.046 -7.853 0.690 1.00 0.32 C ATOM 0 H ALA A 25 3.156 -7.574 2.569 1.00 0.29 H new ATOM 0 HA ALA A 25 4.568 -9.901 1.245 1.00 0.31 H new ATOM 0 HB1 ALA A 25 6.048 -8.108 0.346 1.00 0.32 H new ATOM 0 HB2 ALA A 25 4.367 -7.822 -0.162 1.00 0.32 H new ATOM 0 HB3 ALA A 25 5.066 -6.876 1.174 1.00 0.32 H new ATOM 369 N GLN A 26 6.001 -10.080 3.247 1.00 0.29 N ATOM 370 CA GLN A 26 6.911 -10.171 4.425 1.00 0.31 C ATOM 371 C GLN A 26 7.792 -11.416 4.312 1.00 0.29 C ATOM 372 O GLN A 26 7.476 -12.343 3.596 1.00 0.32 O ATOM 373 CB GLN A 26 5.989 -10.269 5.642 1.00 0.35 C ATOM 374 CG GLN A 26 6.840 -10.265 6.916 1.00 0.37 C ATOM 375 CD GLN A 26 5.949 -10.047 8.141 1.00 0.46 C ATOM 376 OE1 GLN A 26 4.752 -9.868 8.017 1.00 0.62 O ATOM 377 NE2 GLN A 26 6.486 -10.054 9.332 1.00 0.60 N ATOM 0 H GLN A 26 5.831 -10.960 2.761 1.00 0.29 H new ATOM 0 HA GLN A 26 7.580 -9.313 4.497 1.00 0.31 H new ATOM 0 HB2 GLN A 26 5.291 -9.432 5.653 1.00 0.35 H new ATOM 0 HB3 GLN A 26 5.393 -11.180 5.590 1.00 0.35 H new ATOM 0 HG2 GLN A 26 7.375 -11.210 7.009 1.00 0.37 H new ATOM 0 HG3 GLN A 26 7.592 -9.478 6.858 1.00 0.37 H new ATOM 0 HE21 GLN A 26 7.489 -10.204 9.438 1.00 0.60 H new ATOM 0 HE22 GLN A 26 5.902 -9.910 10.156 1.00 0.60 H new ATOM 386 N CYS A 27 8.896 -11.440 5.006 1.00 0.31 N ATOM 387 CA CYS A 27 9.797 -12.625 4.923 1.00 0.33 C ATOM 388 C CYS A 27 9.924 -13.310 6.283 1.00 0.33 C ATOM 389 O CYS A 27 9.799 -12.689 7.321 1.00 0.39 O ATOM 390 CB CYS A 27 11.153 -12.070 4.478 1.00 0.39 C ATOM 391 SG CYS A 27 11.183 -11.918 2.675 1.00 0.66 S ATOM 0 H CYS A 27 9.213 -10.694 5.625 1.00 0.31 H new ATOM 0 HA CYS A 27 9.412 -13.374 4.231 1.00 0.33 H new ATOM 0 HB2 CYS A 27 11.328 -11.098 4.938 1.00 0.39 H new ATOM 0 HB3 CYS A 27 11.954 -12.729 4.811 1.00 0.39 H new ATOM 396 N ASP A 28 10.177 -14.589 6.276 1.00 0.37 N ATOM 397 CA ASP A 28 10.318 -15.344 7.553 1.00 0.42 C ATOM 398 C ASP A 28 11.726 -15.939 7.654 1.00 0.49 C ATOM 399 O ASP A 28 11.904 -17.070 8.066 1.00 0.60 O ATOM 400 CB ASP A 28 9.285 -16.463 7.450 1.00 0.51 C ATOM 401 CG ASP A 28 9.581 -17.305 6.205 1.00 0.62 C ATOM 402 OD1 ASP A 28 10.675 -17.186 5.680 1.00 0.68 O ATOM 403 OD2 ASP A 28 8.707 -18.052 5.797 1.00 0.84 O ATOM 0 H ASP A 28 10.293 -15.149 5.432 1.00 0.37 H new ATOM 0 HA ASP A 28 10.167 -14.715 8.431 1.00 0.42 H new ATOM 0 HB2 ASP A 28 9.317 -17.088 8.343 1.00 0.51 H new ATOM 0 HB3 ASP A 28 8.281 -16.043 7.390 1.00 0.51 H new ATOM 408 N LYS A 29 12.725 -15.193 7.271 1.00 0.54 N ATOM 409 CA LYS A 29 14.119 -15.718 7.331 1.00 0.67 C ATOM 410 C LYS A 29 14.301 -16.848 6.320 1.00 0.70 C ATOM 411 O LYS A 29 14.598 -17.970 6.674 1.00 0.82 O ATOM 412 CB LYS A 29 14.296 -16.242 8.754 1.00 0.77 C ATOM 413 CG LYS A 29 15.767 -16.122 9.161 1.00 0.79 C ATOM 414 CD LYS A 29 15.938 -16.597 10.605 1.00 0.87 C ATOM 415 CE LYS A 29 17.036 -17.663 10.671 1.00 1.01 C ATOM 416 NZ LYS A 29 16.627 -18.560 11.788 1.00 1.14 N ATOM 0 H LYS A 29 12.636 -14.240 6.918 1.00 0.54 H new ATOM 0 HA LYS A 29 14.854 -14.950 7.090 1.00 0.67 H new ATOM 0 HB2 LYS A 29 13.669 -15.675 9.443 1.00 0.77 H new ATOM 0 HB3 LYS A 29 13.975 -17.282 8.813 1.00 0.77 H new ATOM 0 HG2 LYS A 29 16.389 -16.719 8.495 1.00 0.79 H new ATOM 0 HG3 LYS A 29 16.098 -15.088 9.066 1.00 0.79 H new ATOM 0 HD2 LYS A 29 16.196 -15.755 11.247 1.00 0.87 H new ATOM 0 HD3 LYS A 29 14.998 -17.005 10.977 1.00 0.87 H new ATOM 0 HE2 LYS A 29 17.113 -18.211 9.732 1.00 1.01 H new ATOM 0 HE3 LYS A 29 18.012 -17.215 10.860 1.00 1.01 H new ATOM 0 HZ1 LYS A 29 17.329 -19.319 11.899 1.00 1.14 H new ATOM 0 HZ2 LYS A 29 16.568 -18.012 12.670 1.00 1.14 H new ATOM 0 HZ3 LYS A 29 15.698 -18.976 11.577 1.00 1.14 H new ATOM 430 N PHE A 30 14.138 -16.553 5.062 1.00 0.63 N ATOM 431 CA PHE A 30 14.310 -17.604 4.013 1.00 0.64 C ATOM 432 C PHE A 30 14.390 -16.957 2.626 1.00 0.61 C ATOM 433 O PHE A 30 15.089 -17.428 1.747 1.00 0.62 O ATOM 434 CB PHE A 30 13.067 -18.491 4.112 1.00 0.63 C ATOM 435 CG PHE A 30 13.264 -19.539 5.182 1.00 0.69 C ATOM 436 CD1 PHE A 30 14.443 -20.296 5.227 1.00 0.83 C ATOM 437 CD2 PHE A 30 12.261 -19.757 6.132 1.00 0.76 C ATOM 438 CE1 PHE A 30 14.613 -21.265 6.225 1.00 0.96 C ATOM 439 CE2 PHE A 30 12.433 -20.726 7.127 1.00 0.90 C ATOM 440 CZ PHE A 30 13.609 -21.481 7.173 1.00 0.97 C ATOM 0 H PHE A 30 13.892 -15.628 4.710 1.00 0.63 H new ATOM 0 HA PHE A 30 15.227 -18.176 4.158 1.00 0.64 H new ATOM 0 HB2 PHE A 30 12.193 -17.882 4.344 1.00 0.63 H new ATOM 0 HB3 PHE A 30 12.875 -18.971 3.152 1.00 0.63 H new ATOM 0 HD1 PHE A 30 15.219 -20.133 4.494 1.00 0.83 H new ATOM 0 HD2 PHE A 30 11.351 -19.176 6.098 1.00 0.76 H new ATOM 0 HE1 PHE A 30 15.522 -21.846 6.262 1.00 0.96 H new ATOM 0 HE2 PHE A 30 11.657 -20.891 7.860 1.00 0.90 H new ATOM 0 HZ PHE A 30 13.741 -22.230 7.940 1.00 0.97 H new ATOM 450 N CYS A 31 13.666 -15.884 2.426 1.00 0.59 N ATOM 451 CA CYS A 31 13.670 -15.194 1.110 1.00 0.57 C ATOM 452 C CYS A 31 15.074 -15.198 0.503 1.00 0.59 C ATOM 453 O CYS A 31 15.235 -15.235 -0.700 1.00 0.62 O ATOM 454 CB CYS A 31 13.216 -13.765 1.415 1.00 0.55 C ATOM 455 SG CYS A 31 11.514 -13.800 2.027 1.00 0.69 S ATOM 0 H CYS A 31 13.066 -15.455 3.131 1.00 0.59 H new ATOM 0 HA CYS A 31 13.020 -15.685 0.386 1.00 0.57 H new ATOM 0 HB2 CYS A 31 13.873 -13.313 2.158 1.00 0.55 H new ATOM 0 HB3 CYS A 31 13.280 -13.151 0.517 1.00 0.55 H new ATOM 460 N SER A 32 16.089 -15.178 1.325 1.00 0.62 N ATOM 461 CA SER A 32 17.482 -15.203 0.789 1.00 0.66 C ATOM 462 C SER A 32 17.619 -16.372 -0.184 1.00 0.71 C ATOM 463 O SER A 32 18.447 -16.369 -1.075 1.00 0.78 O ATOM 464 CB SER A 32 18.374 -15.419 2.014 1.00 0.72 C ATOM 465 OG SER A 32 18.156 -14.368 2.946 1.00 0.76 O ATOM 0 H SER A 32 16.015 -15.146 2.342 1.00 0.62 H new ATOM 0 HA SER A 32 17.749 -14.292 0.254 1.00 0.66 H new ATOM 0 HB2 SER A 32 18.151 -16.381 2.475 1.00 0.72 H new ATOM 0 HB3 SER A 32 19.422 -15.444 1.715 1.00 0.72 H new ATOM 0 HG SER A 32 18.725 -14.505 3.732 1.00 0.76 H new ATOM 471 N ILE A 33 16.803 -17.376 -0.007 1.00 0.68 N ATOM 472 CA ILE A 33 16.852 -18.569 -0.898 1.00 0.71 C ATOM 473 C ILE A 33 15.464 -18.822 -1.499 1.00 0.65 C ATOM 474 O ILE A 33 15.311 -19.563 -2.451 1.00 0.72 O ATOM 475 CB ILE A 33 17.244 -19.723 0.021 1.00 0.78 C ATOM 476 CG1 ILE A 33 18.698 -19.561 0.471 1.00 0.85 C ATOM 477 CG2 ILE A 33 17.088 -21.047 -0.722 1.00 0.85 C ATOM 478 CD1 ILE A 33 18.880 -20.243 1.829 1.00 0.93 C ATOM 0 H ILE A 33 16.096 -17.420 0.727 1.00 0.68 H new ATOM 0 HA ILE A 33 17.550 -18.446 -1.726 1.00 0.71 H new ATOM 0 HB ILE A 33 16.594 -19.717 0.896 1.00 0.78 H new ATOM 0 HG12 ILE A 33 19.371 -20.002 -0.265 1.00 0.85 H new ATOM 0 HG13 ILE A 33 18.954 -18.504 0.544 1.00 0.85 H new ATOM 0 HG21 ILE A 33 17.369 -21.869 -0.063 1.00 0.85 H new ATOM 0 HG22 ILE A 33 16.051 -21.169 -1.033 1.00 0.85 H new ATOM 0 HG23 ILE A 33 17.733 -21.049 -1.600 1.00 0.85 H new ATOM 0 HD11 ILE A 33 19.914 -20.132 2.156 1.00 0.93 H new ATOM 0 HD12 ILE A 33 18.216 -19.781 2.560 1.00 0.93 H new ATOM 0 HD13 ILE A 33 18.640 -21.302 1.739 1.00 0.93 H new ATOM 490 N ARG A 34 14.447 -18.222 -0.934 1.00 0.57 N ATOM 491 CA ARG A 34 13.078 -18.430 -1.440 1.00 0.50 C ATOM 492 C ARG A 34 12.486 -17.108 -1.938 1.00 0.39 C ATOM 493 O ARG A 34 11.341 -17.040 -2.342 1.00 0.42 O ATOM 494 CB ARG A 34 12.296 -18.953 -0.236 1.00 0.52 C ATOM 495 CG ARG A 34 12.947 -20.241 0.275 1.00 0.66 C ATOM 496 CD ARG A 34 12.936 -21.298 -0.837 1.00 0.72 C ATOM 497 NE ARG A 34 12.709 -22.593 -0.137 1.00 0.81 N ATOM 498 CZ ARG A 34 13.726 -23.319 0.248 1.00 1.00 C ATOM 499 NH1 ARG A 34 14.447 -22.944 1.271 1.00 1.08 N ATOM 500 NH2 ARG A 34 14.023 -24.419 -0.390 1.00 1.19 N ATOM 0 H ARG A 34 14.519 -17.592 -0.135 1.00 0.57 H new ATOM 0 HA ARG A 34 13.046 -19.121 -2.282 1.00 0.50 H new ATOM 0 HB2 ARG A 34 12.280 -18.203 0.554 1.00 0.52 H new ATOM 0 HB3 ARG A 34 11.260 -19.143 -0.516 1.00 0.52 H new ATOM 0 HG2 ARG A 34 13.971 -20.042 0.592 1.00 0.66 H new ATOM 0 HG3 ARG A 34 12.409 -20.611 1.148 1.00 0.66 H new ATOM 0 HD2 ARG A 34 12.148 -21.099 -1.563 1.00 0.72 H new ATOM 0 HD3 ARG A 34 13.879 -21.305 -1.384 1.00 0.72 H new ATOM 0 HE ARG A 34 11.758 -22.914 0.042 1.00 0.81 H new ATOM 0 HH11 ARG A 34 14.217 -22.085 1.770 1.00 1.08 H new ATOM 0 HH12 ARG A 34 15.240 -23.511 1.571 1.00 1.08 H new ATOM 0 HH21 ARG A 34 13.461 -24.712 -1.189 1.00 1.19 H new ATOM 0 HH22 ARG A 34 14.817 -24.985 -0.089 1.00 1.19 H new ATOM 514 N GLY A 35 13.262 -16.060 -1.918 1.00 0.37 N ATOM 515 CA GLY A 35 12.758 -14.741 -2.395 1.00 0.34 C ATOM 516 C GLY A 35 11.621 -14.259 -1.496 1.00 0.26 C ATOM 517 O GLY A 35 11.181 -14.970 -0.616 1.00 0.31 O ATOM 0 H GLY A 35 14.228 -16.060 -1.590 1.00 0.37 H new ATOM 0 HA2 GLY A 35 13.568 -14.011 -2.394 1.00 0.34 H new ATOM 0 HA3 GLY A 35 12.408 -14.827 -3.424 1.00 0.34 H new ATOM 521 N PRO A 36 11.193 -13.052 -1.755 1.00 0.30 N ATOM 522 CA PRO A 36 10.100 -12.441 -0.967 1.00 0.26 C ATOM 523 C PRO A 36 8.761 -13.061 -1.363 1.00 0.25 C ATOM 524 O PRO A 36 8.657 -13.745 -2.364 1.00 0.28 O ATOM 525 CB PRO A 36 10.154 -10.969 -1.361 1.00 0.31 C ATOM 526 CG PRO A 36 10.779 -10.952 -2.717 1.00 0.40 C ATOM 527 CD PRO A 36 11.682 -12.155 -2.806 1.00 0.50 C ATOM 0 HA PRO A 36 10.205 -12.591 0.108 1.00 0.26 H new ATOM 0 HB2 PRO A 36 9.157 -10.529 -1.381 1.00 0.31 H new ATOM 0 HB3 PRO A 36 10.743 -10.391 -0.648 1.00 0.31 H new ATOM 0 HG2 PRO A 36 10.015 -10.986 -3.493 1.00 0.40 H new ATOM 0 HG3 PRO A 36 11.346 -10.033 -2.868 1.00 0.40 H new ATOM 0 HD2 PRO A 36 11.624 -12.624 -3.788 1.00 0.50 H new ATOM 0 HD3 PRO A 36 12.725 -11.883 -2.643 1.00 0.50 H new ATOM 535 N VAL A 37 7.739 -12.826 -0.595 1.00 0.26 N ATOM 536 CA VAL A 37 6.412 -13.400 -0.937 1.00 0.31 C ATOM 537 C VAL A 37 5.382 -12.295 -1.102 1.00 0.31 C ATOM 538 O VAL A 37 5.616 -11.147 -0.777 1.00 0.35 O ATOM 539 CB VAL A 37 6.060 -14.308 0.235 1.00 0.37 C ATOM 540 CG1 VAL A 37 4.682 -14.934 0.011 1.00 0.49 C ATOM 541 CG2 VAL A 37 7.111 -15.414 0.343 1.00 0.47 C ATOM 0 H VAL A 37 7.764 -12.262 0.254 1.00 0.26 H new ATOM 0 HA VAL A 37 6.429 -13.948 -1.879 1.00 0.31 H new ATOM 0 HB VAL A 37 6.041 -13.724 1.155 1.00 0.37 H new ATOM 0 HG11 VAL A 37 4.436 -15.582 0.852 1.00 0.49 H new ATOM 0 HG12 VAL A 37 3.933 -14.146 -0.071 1.00 0.49 H new ATOM 0 HG13 VAL A 37 4.694 -15.520 -0.908 1.00 0.49 H new ATOM 0 HG21 VAL A 37 6.866 -16.068 1.180 1.00 0.47 H new ATOM 0 HG22 VAL A 37 7.125 -15.994 -0.580 1.00 0.47 H new ATOM 0 HG23 VAL A 37 8.092 -14.969 0.506 1.00 0.47 H new ATOM 551 N ILE A 38 4.255 -12.635 -1.638 1.00 0.30 N ATOM 552 CA ILE A 38 3.209 -11.619 -1.872 1.00 0.30 C ATOM 553 C ILE A 38 1.828 -12.272 -1.780 1.00 0.31 C ATOM 554 O ILE A 38 1.538 -13.233 -2.465 1.00 0.39 O ATOM 555 CB ILE A 38 3.530 -11.129 -3.284 1.00 0.35 C ATOM 556 CG1 ILE A 38 4.377 -9.853 -3.192 1.00 0.35 C ATOM 557 CG2 ILE A 38 2.241 -10.842 -4.068 1.00 0.37 C ATOM 558 CD1 ILE A 38 3.530 -8.710 -2.624 1.00 0.46 C ATOM 0 H ILE A 38 4.011 -13.582 -1.927 1.00 0.30 H new ATOM 0 HA ILE A 38 3.193 -10.804 -1.148 1.00 0.30 H new ATOM 0 HB ILE A 38 4.084 -11.906 -3.811 1.00 0.35 H new ATOM 0 HG12 ILE A 38 5.245 -10.026 -2.556 1.00 0.35 H new ATOM 0 HG13 ILE A 38 4.754 -9.583 -4.179 1.00 0.35 H new ATOM 0 HG21 ILE A 38 2.494 -10.495 -5.070 1.00 0.37 H new ATOM 0 HG22 ILE A 38 1.648 -11.754 -4.139 1.00 0.37 H new ATOM 0 HG23 ILE A 38 1.665 -10.074 -3.552 1.00 0.37 H new ATOM 0 HD11 ILE A 38 4.135 -7.806 -2.560 1.00 0.46 H new ATOM 0 HD12 ILE A 38 2.676 -8.530 -3.278 1.00 0.46 H new ATOM 0 HD13 ILE A 38 3.175 -8.980 -1.629 1.00 0.46 H new ATOM 570 N GLU A 39 0.981 -11.769 -0.933 1.00 0.29 N ATOM 571 CA GLU A 39 -0.370 -12.374 -0.800 1.00 0.30 C ATOM 572 C GLU A 39 -1.451 -11.293 -0.868 1.00 0.28 C ATOM 573 O GLU A 39 -1.762 -10.651 0.115 1.00 0.34 O ATOM 574 CB GLU A 39 -0.351 -13.036 0.577 1.00 0.32 C ATOM 575 CG GLU A 39 -1.553 -13.971 0.716 1.00 0.41 C ATOM 576 CD GLU A 39 -1.555 -14.595 2.113 1.00 0.51 C ATOM 577 OE1 GLU A 39 -0.818 -15.545 2.317 1.00 0.58 O ATOM 578 OE2 GLU A 39 -2.291 -14.110 2.954 1.00 0.61 O ATOM 0 H GLU A 39 1.163 -10.968 -0.328 1.00 0.29 H new ATOM 0 HA GLU A 39 -0.594 -13.082 -1.598 1.00 0.30 H new ATOM 0 HB2 GLU A 39 0.575 -13.596 0.709 1.00 0.32 H new ATOM 0 HB3 GLU A 39 -0.378 -12.275 1.357 1.00 0.32 H new ATOM 0 HG2 GLU A 39 -2.478 -13.418 0.552 1.00 0.41 H new ATOM 0 HG3 GLU A 39 -1.509 -14.752 -0.043 1.00 0.41 H new ATOM 585 N GLN A 40 -2.035 -11.094 -2.020 1.00 0.27 N ATOM 586 CA GLN A 40 -3.105 -10.060 -2.142 1.00 0.29 C ATOM 587 C GLN A 40 -4.460 -10.743 -2.344 1.00 0.28 C ATOM 588 O GLN A 40 -4.613 -11.595 -3.197 1.00 0.45 O ATOM 589 CB GLN A 40 -2.728 -9.237 -3.378 1.00 0.36 C ATOM 590 CG GLN A 40 -3.728 -8.094 -3.564 1.00 0.46 C ATOM 591 CD GLN A 40 -3.001 -6.874 -4.127 1.00 0.54 C ATOM 592 OE1 GLN A 40 -3.221 -5.763 -3.686 1.00 0.63 O ATOM 593 NE2 GLN A 40 -2.132 -7.034 -5.088 1.00 0.71 N ATOM 0 H GLN A 40 -1.819 -11.600 -2.879 1.00 0.27 H new ATOM 0 HA GLN A 40 -3.186 -9.435 -1.252 1.00 0.29 H new ATOM 0 HB2 GLN A 40 -1.720 -8.836 -3.266 1.00 0.36 H new ATOM 0 HB3 GLN A 40 -2.721 -9.874 -4.262 1.00 0.36 H new ATOM 0 HG2 GLN A 40 -4.526 -8.400 -4.240 1.00 0.46 H new ATOM 0 HG3 GLN A 40 -4.195 -7.846 -2.611 1.00 0.46 H new ATOM 0 HE21 GLN A 40 -1.947 -7.966 -5.458 1.00 0.71 H new ATOM 0 HE22 GLN A 40 -1.638 -6.227 -5.468 1.00 0.71 H new ATOM 602 N GLY A 41 -5.446 -10.378 -1.570 1.00 0.20 N ATOM 603 CA GLY A 41 -6.781 -11.019 -1.735 1.00 0.27 C ATOM 604 C GLY A 41 -7.736 -10.521 -0.649 1.00 0.26 C ATOM 605 O GLY A 41 -7.746 -9.355 -0.304 1.00 0.28 O ATOM 0 H GLY A 41 -5.386 -9.671 -0.838 1.00 0.20 H new ATOM 0 HA2 GLY A 41 -7.185 -10.788 -2.721 1.00 0.27 H new ATOM 0 HA3 GLY A 41 -6.683 -12.103 -1.676 1.00 0.27 H new ATOM 609 N CYS A 42 -8.547 -11.398 -0.114 1.00 0.25 N ATOM 610 CA CYS A 42 -9.513 -10.985 0.944 1.00 0.29 C ATOM 611 C CYS A 42 -9.399 -11.902 2.165 1.00 0.32 C ATOM 612 O CYS A 42 -10.049 -12.926 2.249 1.00 0.36 O ATOM 613 CB CYS A 42 -10.887 -11.136 0.293 1.00 0.35 C ATOM 614 SG CYS A 42 -10.904 -10.262 -1.287 1.00 0.41 S ATOM 0 H CYS A 42 -8.580 -12.386 -0.367 1.00 0.25 H new ATOM 0 HA CYS A 42 -9.329 -9.970 1.296 1.00 0.29 H new ATOM 0 HB2 CYS A 42 -11.115 -12.191 0.140 1.00 0.35 H new ATOM 0 HB3 CYS A 42 -11.659 -10.736 0.950 1.00 0.35 H new ATOM 619 N VAL A 43 -8.589 -11.536 3.116 1.00 0.33 N ATOM 620 CA VAL A 43 -8.441 -12.379 4.337 1.00 0.38 C ATOM 621 C VAL A 43 -9.486 -11.970 5.384 1.00 0.41 C ATOM 622 O VAL A 43 -10.556 -12.537 5.459 1.00 0.52 O ATOM 623 CB VAL A 43 -7.025 -12.093 4.834 1.00 0.39 C ATOM 624 CG1 VAL A 43 -6.848 -12.640 6.250 1.00 0.51 C ATOM 625 CG2 VAL A 43 -6.020 -12.770 3.898 1.00 0.49 C ATOM 0 H VAL A 43 -8.021 -10.689 3.103 1.00 0.33 H new ATOM 0 HA VAL A 43 -8.594 -13.440 4.141 1.00 0.38 H new ATOM 0 HB VAL A 43 -6.856 -11.016 4.845 1.00 0.39 H new ATOM 0 HG11 VAL A 43 -5.836 -12.432 6.597 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.565 -12.162 6.917 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -7.016 -13.717 6.248 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -5.007 -12.570 4.246 1.00 0.49 H new ATOM 0 HG22 VAL A 43 -6.196 -13.846 3.892 1.00 0.49 H new ATOM 0 HG23 VAL A 43 -6.141 -12.377 2.889 1.00 0.49 H new ATOM 635 N ALA A 44 -9.185 -10.989 6.188 1.00 0.41 N ATOM 636 CA ALA A 44 -10.167 -10.547 7.221 1.00 0.47 C ATOM 637 C ALA A 44 -9.883 -9.100 7.616 1.00 0.43 C ATOM 638 O ALA A 44 -10.657 -8.208 7.336 1.00 0.54 O ATOM 639 CB ALA A 44 -9.950 -11.490 8.405 1.00 0.54 C ATOM 0 H ALA A 44 -8.304 -10.474 6.176 1.00 0.41 H new ATOM 0 HA ALA A 44 -11.197 -10.584 6.865 1.00 0.47 H new ATOM 0 HB1 ALA A 44 -10.638 -11.229 9.209 1.00 0.54 H new ATOM 0 HB2 ALA A 44 -10.133 -12.517 8.090 1.00 0.54 H new ATOM 0 HB3 ALA A 44 -8.924 -11.397 8.761 1.00 0.54 H new ATOM 645 N THR A 45 -8.773 -8.863 8.260 1.00 0.35 N ATOM 646 CA THR A 45 -8.428 -7.469 8.666 1.00 0.33 C ATOM 647 C THR A 45 -6.978 -7.144 8.282 1.00 0.28 C ATOM 648 O THR A 45 -6.097 -7.972 8.389 1.00 0.32 O ATOM 649 CB THR A 45 -8.621 -7.441 10.187 1.00 0.34 C ATOM 650 OG1 THR A 45 -9.977 -7.729 10.490 1.00 0.37 O ATOM 651 CG2 THR A 45 -8.261 -6.058 10.733 1.00 0.40 C ATOM 0 H THR A 45 -8.090 -9.573 8.523 1.00 0.35 H new ATOM 0 HA THR A 45 -9.050 -6.724 8.169 1.00 0.33 H new ATOM 0 HB THR A 45 -7.972 -8.186 10.647 1.00 0.34 H new ATOM 0 HG1 THR A 45 -10.105 -7.714 11.461 1.00 0.37 H new ATOM 0 HG21 THR A 45 -8.401 -6.046 11.814 1.00 0.40 H new ATOM 0 HG22 THR A 45 -7.220 -5.834 10.499 1.00 0.40 H new ATOM 0 HG23 THR A 45 -8.905 -5.307 10.276 1.00 0.40 H new ATOM 659 N CYS A 46 -6.732 -5.942 7.829 1.00 0.26 N ATOM 660 CA CYS A 46 -5.346 -5.553 7.432 1.00 0.24 C ATOM 661 C CYS A 46 -4.328 -6.124 8.428 1.00 0.23 C ATOM 662 O CYS A 46 -4.558 -6.123 9.621 1.00 0.27 O ATOM 663 CB CYS A 46 -5.351 -4.024 7.485 1.00 0.25 C ATOM 664 SG CYS A 46 -3.921 -3.363 6.583 1.00 0.32 S ATOM 0 H CYS A 46 -7.434 -5.211 7.717 1.00 0.26 H new ATOM 0 HA CYS A 46 -5.069 -5.933 6.449 1.00 0.24 H new ATOM 0 HB2 CYS A 46 -6.274 -3.640 7.050 1.00 0.25 H new ATOM 0 HB3 CYS A 46 -5.324 -3.688 8.522 1.00 0.25 H new ATOM 669 N PRO A 47 -3.229 -6.590 7.901 1.00 0.24 N ATOM 670 CA PRO A 47 -2.163 -7.165 8.756 1.00 0.26 C ATOM 671 C PRO A 47 -1.499 -6.073 9.592 1.00 0.24 C ATOM 672 O PRO A 47 -1.799 -4.904 9.455 1.00 0.25 O ATOM 673 CB PRO A 47 -1.176 -7.759 7.756 1.00 0.34 C ATOM 674 CG PRO A 47 -1.410 -6.998 6.495 1.00 0.33 C ATOM 675 CD PRO A 47 -2.872 -6.628 6.479 1.00 0.30 C ATOM 0 HA PRO A 47 -2.538 -7.903 9.465 1.00 0.26 H new ATOM 0 HB2 PRO A 47 -0.148 -7.648 8.101 1.00 0.34 H new ATOM 0 HB3 PRO A 47 -1.351 -8.825 7.613 1.00 0.34 H new ATOM 0 HG2 PRO A 47 -0.784 -6.106 6.459 1.00 0.33 H new ATOM 0 HG3 PRO A 47 -1.154 -7.602 5.625 1.00 0.33 H new ATOM 0 HD2 PRO A 47 -3.037 -5.664 5.997 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -3.466 -7.362 5.935 1.00 0.30 H new ATOM 683 N GLN A 48 -0.609 -6.457 10.462 1.00 0.27 N ATOM 684 CA GLN A 48 0.085 -5.483 11.323 1.00 0.30 C ATOM 685 C GLN A 48 0.935 -4.547 10.471 1.00 0.29 C ATOM 686 O GLN A 48 2.145 -4.521 10.570 1.00 0.34 O ATOM 687 CB GLN A 48 0.961 -6.335 12.234 1.00 0.36 C ATOM 688 CG GLN A 48 1.278 -5.564 13.511 1.00 0.45 C ATOM 689 CD GLN A 48 2.235 -6.391 14.368 1.00 0.56 C ATOM 690 OE1 GLN A 48 3.410 -6.094 14.446 1.00 0.89 O ATOM 691 NE2 GLN A 48 1.779 -7.429 15.012 1.00 0.75 N ATOM 0 H GLN A 48 -0.333 -7.428 10.610 1.00 0.27 H new ATOM 0 HA GLN A 48 -0.602 -4.854 11.889 1.00 0.30 H new ATOM 0 HB2 GLN A 48 0.451 -7.267 12.478 1.00 0.36 H new ATOM 0 HB3 GLN A 48 1.885 -6.602 11.720 1.00 0.36 H new ATOM 0 HG2 GLN A 48 1.727 -4.601 13.268 1.00 0.45 H new ATOM 0 HG3 GLN A 48 0.361 -5.357 14.063 1.00 0.45 H new ATOM 0 HE21 GLN A 48 0.792 -7.677 14.946 1.00 0.75 H new ATOM 0 HE22 GLN A 48 2.409 -7.993 15.582 1.00 0.75 H new ATOM 700 N PHE A 49 0.297 -3.789 9.634 1.00 0.26 N ATOM 701 CA PHE A 49 1.033 -2.844 8.747 1.00 0.26 C ATOM 702 C PHE A 49 2.210 -2.223 9.498 1.00 0.30 C ATOM 703 O PHE A 49 2.038 -1.533 10.484 1.00 0.41 O ATOM 704 CB PHE A 49 0.005 -1.777 8.377 1.00 0.27 C ATOM 705 CG PHE A 49 -0.465 -2.011 6.965 1.00 0.25 C ATOM 706 CD1 PHE A 49 -0.615 -3.317 6.487 1.00 0.25 C ATOM 707 CD2 PHE A 49 -0.743 -0.923 6.130 1.00 0.26 C ATOM 708 CE1 PHE A 49 -1.044 -3.534 5.173 1.00 0.25 C ATOM 709 CE2 PHE A 49 -1.173 -1.141 4.819 1.00 0.28 C ATOM 710 CZ PHE A 49 -1.322 -2.447 4.341 1.00 0.27 C ATOM 0 H PHE A 49 -0.717 -3.780 9.522 1.00 0.26 H new ATOM 0 HA PHE A 49 1.447 -3.335 7.866 1.00 0.26 H new ATOM 0 HB2 PHE A 49 -0.840 -1.814 9.065 1.00 0.27 H new ATOM 0 HB3 PHE A 49 0.445 -0.784 8.467 1.00 0.27 H new ATOM 0 HD1 PHE A 49 -0.400 -4.157 7.131 1.00 0.25 H new ATOM 0 HD2 PHE A 49 -0.625 0.085 6.499 1.00 0.26 H new ATOM 0 HE1 PHE A 49 -1.160 -4.542 4.802 1.00 0.25 H new ATOM 0 HE2 PHE A 49 -1.390 -0.302 4.175 1.00 0.28 H new ATOM 0 HZ PHE A 49 -1.653 -2.615 3.327 1.00 0.27 H new ATOM 720 N ARG A 50 3.409 -2.474 9.045 1.00 0.28 N ATOM 721 CA ARG A 50 4.598 -1.914 9.741 1.00 0.29 C ATOM 722 C ARG A 50 5.653 -1.456 8.730 1.00 0.32 C ATOM 723 O ARG A 50 5.746 -1.968 7.632 1.00 0.34 O ATOM 724 CB ARG A 50 5.131 -3.069 10.590 1.00 0.34 C ATOM 725 CG ARG A 50 6.217 -2.556 11.539 1.00 0.38 C ATOM 726 CD ARG A 50 6.530 -3.627 12.586 1.00 0.44 C ATOM 727 NE ARG A 50 7.513 -2.987 13.502 1.00 0.49 N ATOM 728 CZ ARG A 50 8.277 -3.722 14.263 1.00 0.55 C ATOM 729 NH1 ARG A 50 8.075 -5.009 14.343 1.00 0.67 N ATOM 730 NH2 ARG A 50 9.239 -3.166 14.948 1.00 0.63 N ATOM 0 H ARG A 50 3.614 -3.043 8.223 1.00 0.28 H new ATOM 0 HA ARG A 50 4.348 -1.040 10.343 1.00 0.29 H new ATOM 0 HB2 ARG A 50 4.318 -3.518 11.161 1.00 0.34 H new ATOM 0 HB3 ARG A 50 5.537 -3.849 9.946 1.00 0.34 H new ATOM 0 HG2 ARG A 50 7.118 -2.308 10.977 1.00 0.38 H new ATOM 0 HG3 ARG A 50 5.884 -1.641 12.028 1.00 0.38 H new ATOM 0 HD2 ARG A 50 5.631 -3.932 13.121 1.00 0.44 H new ATOM 0 HD3 ARG A 50 6.945 -4.523 12.124 1.00 0.44 H new ATOM 0 HE ARG A 50 7.590 -1.970 13.535 1.00 0.49 H new ATOM 0 HH11 ARG A 50 7.320 -5.441 13.811 1.00 0.67 H new ATOM 0 HH12 ARG A 50 8.672 -5.583 14.938 1.00 0.67 H new ATOM 0 HH21 ARG A 50 9.392 -2.159 14.888 1.00 0.63 H new ATOM 0 HH22 ARG A 50 9.838 -3.738 15.544 1.00 0.63 H new ATOM 744 N SER A 51 6.444 -0.486 9.098 1.00 0.35 N ATOM 745 CA SER A 51 7.499 0.024 8.172 1.00 0.42 C ATOM 746 C SER A 51 8.694 -0.937 8.111 1.00 0.40 C ATOM 747 O SER A 51 9.707 -0.634 7.511 1.00 0.46 O ATOM 748 CB SER A 51 7.929 1.358 8.772 1.00 0.50 C ATOM 749 OG SER A 51 8.602 1.127 10.004 1.00 0.54 O ATOM 0 H SER A 51 6.406 -0.021 10.005 1.00 0.35 H new ATOM 0 HA SER A 51 7.128 0.121 7.152 1.00 0.42 H new ATOM 0 HB2 SER A 51 8.585 1.886 8.080 1.00 0.50 H new ATOM 0 HB3 SER A 51 7.059 1.994 8.934 1.00 0.50 H new ATOM 0 HG SER A 51 8.881 1.984 10.390 1.00 0.54 H new ATOM 755 N ASN A 52 8.596 -2.087 8.724 1.00 0.38 N ATOM 756 CA ASN A 52 9.742 -3.045 8.692 1.00 0.37 C ATOM 757 C ASN A 52 9.326 -4.321 7.959 1.00 0.34 C ATOM 758 O ASN A 52 9.842 -5.392 8.201 1.00 0.43 O ATOM 759 CB ASN A 52 10.053 -3.342 10.164 1.00 0.40 C ATOM 760 CG ASN A 52 10.531 -2.063 10.858 1.00 0.46 C ATOM 761 OD1 ASN A 52 11.425 -1.392 10.373 1.00 0.50 O ATOM 762 ND2 ASN A 52 9.973 -1.695 11.979 1.00 0.55 N ATOM 0 H ASN A 52 7.777 -2.404 9.243 1.00 0.38 H new ATOM 0 HA ASN A 52 10.611 -2.643 8.171 1.00 0.37 H new ATOM 0 HB2 ASN A 52 9.164 -3.728 10.663 1.00 0.40 H new ATOM 0 HB3 ASN A 52 10.819 -4.114 10.235 1.00 0.40 H new ATOM 0 HD21 ASN A 52 10.285 -0.845 12.449 1.00 0.55 H new ATOM 0 HD22 ASN A 52 9.225 -2.257 12.385 1.00 0.55 H new ATOM 769 N TYR A 53 8.388 -4.198 7.059 1.00 0.30 N ATOM 770 CA TYR A 53 7.907 -5.380 6.288 1.00 0.30 C ATOM 771 C TYR A 53 8.543 -5.395 4.886 1.00 0.32 C ATOM 772 O TYR A 53 9.646 -4.917 4.697 1.00 0.37 O ATOM 773 CB TYR A 53 6.390 -5.177 6.218 1.00 0.35 C ATOM 774 CG TYR A 53 5.737 -5.864 7.394 1.00 0.37 C ATOM 775 CD1 TYR A 53 6.320 -5.793 8.667 1.00 0.49 C ATOM 776 CD2 TYR A 53 4.546 -6.574 7.211 1.00 0.42 C ATOM 777 CE1 TYR A 53 5.709 -6.431 9.753 1.00 0.59 C ATOM 778 CE2 TYR A 53 3.936 -7.209 8.297 1.00 0.47 C ATOM 779 CZ TYR A 53 4.518 -7.138 9.566 1.00 0.55 C ATOM 780 OH TYR A 53 3.914 -7.762 10.635 1.00 0.67 O ATOM 0 H TYR A 53 7.929 -3.318 6.823 1.00 0.30 H new ATOM 0 HA TYR A 53 8.172 -6.333 6.745 1.00 0.30 H new ATOM 0 HB2 TYR A 53 6.154 -4.113 6.227 1.00 0.35 H new ATOM 0 HB3 TYR A 53 6.001 -5.582 5.284 1.00 0.35 H new ATOM 0 HD1 TYR A 53 7.240 -5.246 8.810 1.00 0.49 H new ATOM 0 HD2 TYR A 53 4.097 -6.632 6.230 1.00 0.42 H new ATOM 0 HE1 TYR A 53 6.157 -6.377 10.734 1.00 0.59 H new ATOM 0 HE2 TYR A 53 3.015 -7.755 8.155 1.00 0.47 H new ATOM 0 HH TYR A 53 3.095 -8.207 10.334 1.00 0.67 H new ATOM 790 N ARG A 54 7.872 -5.948 3.905 1.00 0.32 N ATOM 791 CA ARG A 54 8.457 -6.000 2.530 1.00 0.34 C ATOM 792 C ARG A 54 7.585 -5.193 1.552 1.00 0.32 C ATOM 793 O ARG A 54 8.040 -4.774 0.510 1.00 0.36 O ATOM 794 CB ARG A 54 8.441 -7.489 2.168 1.00 0.38 C ATOM 795 CG ARG A 54 9.488 -7.772 1.085 1.00 0.42 C ATOM 796 CD ARG A 54 10.338 -8.981 1.486 1.00 0.49 C ATOM 797 NE ARG A 54 10.718 -8.739 2.907 1.00 0.54 N ATOM 798 CZ ARG A 54 11.816 -8.088 3.184 1.00 0.57 C ATOM 799 NH1 ARG A 54 12.962 -8.529 2.743 1.00 0.68 N ATOM 800 NH2 ARG A 54 11.768 -6.999 3.904 1.00 0.62 N ATOM 0 H ARG A 54 6.946 -6.365 3.997 1.00 0.32 H new ATOM 0 HA ARG A 54 9.459 -5.573 2.480 1.00 0.34 H new ATOM 0 HB2 ARG A 54 8.649 -8.090 3.053 1.00 0.38 H new ATOM 0 HB3 ARG A 54 7.451 -7.776 1.813 1.00 0.38 H new ATOM 0 HG2 ARG A 54 8.995 -7.963 0.132 1.00 0.42 H new ATOM 0 HG3 ARG A 54 10.125 -6.899 0.946 1.00 0.42 H new ATOM 0 HD2 ARG A 54 9.776 -9.909 1.381 1.00 0.49 H new ATOM 0 HD3 ARG A 54 11.220 -9.069 0.852 1.00 0.49 H new ATOM 0 HE ARG A 54 10.122 -9.081 3.661 1.00 0.54 H new ATOM 0 HH11 ARG A 54 12.999 -9.381 2.183 1.00 0.68 H new ATOM 0 HH12 ARG A 54 13.821 -8.022 2.958 1.00 0.68 H new ATOM 0 HH21 ARG A 54 10.872 -6.656 4.251 1.00 0.62 H new ATOM 0 HH22 ARG A 54 12.626 -6.492 4.119 1.00 0.62 H new ATOM 814 N SER A 55 6.345 -4.964 1.897 1.00 0.28 N ATOM 815 CA SER A 55 5.428 -4.171 1.013 1.00 0.26 C ATOM 816 C SER A 55 3.998 -4.418 1.446 1.00 0.25 C ATOM 817 O SER A 55 3.547 -5.544 1.518 1.00 0.26 O ATOM 818 CB SER A 55 5.659 -4.670 -0.422 1.00 0.30 C ATOM 819 OG SER A 55 4.551 -4.294 -1.234 1.00 0.32 O ATOM 0 H SER A 55 5.920 -5.295 2.763 1.00 0.28 H new ATOM 0 HA SER A 55 5.621 -3.100 1.075 1.00 0.26 H new ATOM 0 HB2 SER A 55 6.579 -4.246 -0.823 1.00 0.30 H new ATOM 0 HB3 SER A 55 5.778 -5.753 -0.428 1.00 0.30 H new ATOM 0 HG SER A 55 4.695 -4.609 -2.151 1.00 0.32 H new ATOM 825 N LEU A 56 3.285 -3.377 1.755 1.00 0.26 N ATOM 826 CA LEU A 56 1.884 -3.584 2.214 1.00 0.28 C ATOM 827 C LEU A 56 0.940 -2.548 1.617 1.00 0.25 C ATOM 828 O LEU A 56 1.141 -1.354 1.733 1.00 0.30 O ATOM 829 CB LEU A 56 1.951 -3.445 3.732 1.00 0.30 C ATOM 830 CG LEU A 56 2.419 -4.766 4.340 1.00 0.32 C ATOM 831 CD1 LEU A 56 2.793 -4.555 5.808 1.00 0.36 C ATOM 832 CD2 LEU A 56 1.286 -5.787 4.244 1.00 0.32 C ATOM 0 H LEU A 56 3.601 -2.408 1.712 1.00 0.26 H new ATOM 0 HA LEU A 56 1.495 -4.553 1.900 1.00 0.28 H new ATOM 0 HB2 LEU A 56 2.636 -2.643 4.005 1.00 0.30 H new ATOM 0 HB3 LEU A 56 0.972 -3.176 4.128 1.00 0.30 H new ATOM 0 HG LEU A 56 3.292 -5.130 3.798 1.00 0.32 H new ATOM 0 HD11 LEU A 56 3.126 -5.500 6.238 1.00 0.36 H new ATOM 0 HD12 LEU A 56 3.596 -3.821 5.877 1.00 0.36 H new ATOM 0 HD13 LEU A 56 1.923 -4.193 6.357 1.00 0.36 H new ATOM 0 HD21 LEU A 56 1.611 -6.733 4.676 1.00 0.32 H new ATOM 0 HD22 LEU A 56 0.417 -5.419 4.790 1.00 0.32 H new ATOM 0 HD23 LEU A 56 1.020 -5.938 3.198 1.00 0.32 H new ATOM 844 N LEU A 57 -0.103 -3.009 0.996 1.00 0.26 N ATOM 845 CA LEU A 57 -1.091 -2.086 0.399 1.00 0.25 C ATOM 846 C LEU A 57 -2.479 -2.469 0.908 1.00 0.23 C ATOM 847 O LEU A 57 -3.062 -3.435 0.456 1.00 0.30 O ATOM 848 CB LEU A 57 -0.980 -2.325 -1.107 1.00 0.31 C ATOM 849 CG LEU A 57 -2.222 -1.774 -1.802 1.00 0.27 C ATOM 850 CD1 LEU A 57 -1.821 -1.136 -3.133 1.00 0.43 C ATOM 851 CD2 LEU A 57 -3.201 -2.923 -2.059 1.00 0.59 C ATOM 0 H LEU A 57 -0.313 -4.000 0.877 1.00 0.26 H new ATOM 0 HA LEU A 57 -0.921 -1.039 0.650 1.00 0.25 H new ATOM 0 HB2 LEU A 57 -0.086 -1.840 -1.498 1.00 0.31 H new ATOM 0 HB3 LEU A 57 -0.879 -3.391 -1.310 1.00 0.31 H new ATOM 0 HG LEU A 57 -2.695 -1.022 -1.171 1.00 0.27 H new ATOM 0 HD11 LEU A 57 -2.708 -0.742 -3.630 1.00 0.43 H new ATOM 0 HD12 LEU A 57 -1.117 -0.324 -2.950 1.00 0.43 H new ATOM 0 HD13 LEU A 57 -1.352 -1.886 -3.769 1.00 0.43 H new ATOM 0 HD21 LEU A 57 -4.092 -2.538 -2.556 1.00 0.59 H new ATOM 0 HD22 LEU A 57 -2.726 -3.671 -2.694 1.00 0.59 H new ATOM 0 HD23 LEU A 57 -3.483 -3.380 -1.110 1.00 0.59 H new ATOM 863 N CYS A 58 -3.013 -1.739 1.847 1.00 0.22 N ATOM 864 CA CYS A 58 -4.359 -2.101 2.362 1.00 0.23 C ATOM 865 C CYS A 58 -5.402 -1.143 1.816 1.00 0.23 C ATOM 866 O CYS A 58 -5.189 0.058 1.740 1.00 0.29 O ATOM 867 CB CYS A 58 -4.290 -1.980 3.888 1.00 0.26 C ATOM 868 SG CYS A 58 -4.380 -3.635 4.630 1.00 0.32 S ATOM 0 H CYS A 58 -2.582 -0.919 2.274 1.00 0.22 H new ATOM 0 HA CYS A 58 -4.638 -3.109 2.056 1.00 0.23 H new ATOM 0 HB2 CYS A 58 -3.364 -1.487 4.183 1.00 0.26 H new ATOM 0 HB3 CYS A 58 -5.110 -1.361 4.252 1.00 0.26 H new ATOM 873 N CYS A 59 -6.537 -1.673 1.468 1.00 0.21 N ATOM 874 CA CYS A 59 -7.639 -0.828 0.957 1.00 0.22 C ATOM 875 C CYS A 59 -8.818 -0.986 1.910 1.00 0.24 C ATOM 876 O CYS A 59 -9.771 -1.696 1.650 1.00 0.30 O ATOM 877 CB CYS A 59 -7.966 -1.372 -0.436 1.00 0.27 C ATOM 878 SG CYS A 59 -9.499 -0.623 -1.038 1.00 0.32 S ATOM 0 H CYS A 59 -6.748 -2.670 1.518 1.00 0.21 H new ATOM 0 HA CYS A 59 -7.390 0.231 0.895 1.00 0.22 H new ATOM 0 HB2 CYS A 59 -7.149 -1.154 -1.123 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -8.070 -2.456 -0.398 1.00 0.27 H new ATOM 883 N THR A 60 -8.718 -0.346 3.038 1.00 0.26 N ATOM 884 CA THR A 60 -9.776 -0.444 4.075 1.00 0.31 C ATOM 885 C THR A 60 -11.072 0.226 3.602 1.00 0.33 C ATOM 886 O THR A 60 -12.086 0.169 4.272 1.00 0.42 O ATOM 887 CB THR A 60 -9.164 0.286 5.274 1.00 0.34 C ATOM 888 OG1 THR A 60 -9.115 1.678 4.999 1.00 0.35 O ATOM 889 CG2 THR A 60 -7.734 -0.240 5.510 1.00 0.35 C ATOM 0 H THR A 60 -7.931 0.253 3.289 1.00 0.26 H new ATOM 0 HA THR A 60 -10.056 -1.471 4.310 1.00 0.31 H new ATOM 0 HB THR A 60 -9.771 0.111 6.162 1.00 0.34 H new ATOM 0 HG1 THR A 60 -8.725 2.149 5.765 1.00 0.35 H new ATOM 0 HG21 THR A 60 -7.293 0.276 6.363 1.00 0.35 H new ATOM 0 HG22 THR A 60 -7.769 -1.311 5.712 1.00 0.35 H new ATOM 0 HG23 THR A 60 -7.128 -0.058 4.622 1.00 0.35 H new ATOM 897 N THR A 61 -11.053 0.848 2.452 1.00 0.31 N ATOM 898 CA THR A 61 -12.293 1.508 1.936 1.00 0.33 C ATOM 899 C THR A 61 -12.709 0.885 0.599 1.00 0.32 C ATOM 900 O THR A 61 -12.074 -0.024 0.101 1.00 0.38 O ATOM 901 CB THR A 61 -11.916 2.978 1.745 1.00 0.36 C ATOM 902 OG1 THR A 61 -10.940 3.082 0.720 1.00 0.40 O ATOM 903 CG2 THR A 61 -11.351 3.538 3.048 1.00 0.46 C ATOM 0 H THR A 61 -10.235 0.928 1.848 1.00 0.31 H new ATOM 0 HA THR A 61 -13.134 1.389 2.619 1.00 0.33 H new ATOM 0 HB THR A 61 -12.802 3.547 1.465 1.00 0.36 H new ATOM 0 HG1 THR A 61 -10.600 2.190 0.501 1.00 0.40 H new ATOM 0 HG21 THR A 61 -11.084 4.585 2.908 1.00 0.46 H new ATOM 0 HG22 THR A 61 -12.101 3.457 3.834 1.00 0.46 H new ATOM 0 HG23 THR A 61 -10.464 2.972 3.333 1.00 0.46 H new ATOM 911 N ASP A 62 -13.780 1.358 0.019 1.00 0.35 N ATOM 912 CA ASP A 62 -14.247 0.783 -1.277 1.00 0.36 C ATOM 913 C ASP A 62 -13.624 1.521 -2.463 1.00 0.34 C ATOM 914 O ASP A 62 -13.500 2.730 -2.464 1.00 0.36 O ATOM 915 CB ASP A 62 -15.759 0.999 -1.274 1.00 0.48 C ATOM 916 CG ASP A 62 -16.374 0.325 -0.050 1.00 0.58 C ATOM 917 OD1 ASP A 62 -15.639 -0.314 0.683 1.00 0.59 O ATOM 918 OD2 ASP A 62 -17.573 0.461 0.138 1.00 0.72 O ATOM 0 H ASP A 62 -14.352 2.118 0.387 1.00 0.35 H new ATOM 0 HA ASP A 62 -13.967 -0.266 -1.375 1.00 0.36 H new ATOM 0 HB2 ASP A 62 -15.983 2.066 -1.265 1.00 0.48 H new ATOM 0 HB3 ASP A 62 -16.196 0.589 -2.185 1.00 0.48 H new ATOM 923 N ASN A 63 -13.247 0.799 -3.480 1.00 0.37 N ATOM 924 CA ASN A 63 -12.651 1.452 -4.678 1.00 0.36 C ATOM 925 C ASN A 63 -11.549 2.417 -4.252 1.00 0.32 C ATOM 926 O ASN A 63 -11.537 3.569 -4.636 1.00 0.42 O ATOM 927 CB ASN A 63 -13.811 2.213 -5.326 1.00 0.48 C ATOM 928 CG ASN A 63 -13.533 2.404 -6.818 1.00 0.62 C ATOM 929 OD1 ASN A 63 -12.752 3.255 -7.201 1.00 0.60 O ATOM 930 ND2 ASN A 63 -14.150 1.645 -7.683 1.00 0.86 N ATOM 0 H ASN A 63 -13.326 -0.217 -3.534 1.00 0.37 H new ATOM 0 HA ASN A 63 -12.199 0.735 -5.364 1.00 0.36 H new ATOM 0 HB2 ASN A 63 -14.742 1.663 -5.187 1.00 0.48 H new ATOM 0 HB3 ASN A 63 -13.938 3.182 -4.843 1.00 0.48 H new ATOM 0 HD21 ASN A 63 -13.978 1.765 -8.681 1.00 0.86 H new ATOM 0 HD22 ASN A 63 -14.804 0.932 -7.361 1.00 0.86 H new ATOM 937 N CYS A 64 -10.621 1.957 -3.465 1.00 0.28 N ATOM 938 CA CYS A 64 -9.524 2.857 -3.017 1.00 0.33 C ATOM 939 C CYS A 64 -8.894 3.563 -4.222 1.00 0.37 C ATOM 940 O CYS A 64 -8.356 4.648 -4.102 1.00 0.52 O ATOM 941 CB CYS A 64 -8.512 1.940 -2.324 1.00 0.37 C ATOM 942 SG CYS A 64 -9.216 1.356 -0.761 1.00 0.42 S ATOM 0 H CYS A 64 -10.573 1.001 -3.113 1.00 0.28 H new ATOM 0 HA CYS A 64 -9.877 3.641 -2.347 1.00 0.33 H new ATOM 0 HB2 CYS A 64 -8.269 1.094 -2.967 1.00 0.37 H new ATOM 0 HB3 CYS A 64 -7.582 2.477 -2.140 1.00 0.37 H new ATOM 947 N ASN A 65 -8.958 2.969 -5.382 1.00 0.44 N ATOM 948 CA ASN A 65 -8.357 3.631 -6.578 1.00 0.48 C ATOM 949 C ASN A 65 -8.755 2.896 -7.867 1.00 0.51 C ATOM 950 O ASN A 65 -9.434 1.887 -7.837 1.00 0.77 O ATOM 951 CB ASN A 65 -6.844 3.543 -6.353 1.00 0.70 C ATOM 952 CG ASN A 65 -6.392 2.089 -6.495 1.00 0.83 C ATOM 953 OD1 ASN A 65 -7.191 1.213 -6.760 1.00 0.88 O ATOM 954 ND2 ASN A 65 -5.135 1.792 -6.325 1.00 0.97 N ATOM 0 H ASN A 65 -9.395 2.064 -5.554 1.00 0.44 H new ATOM 0 HA ASN A 65 -8.699 4.660 -6.692 1.00 0.48 H new ATOM 0 HB2 ASN A 65 -6.321 4.170 -7.075 1.00 0.70 H new ATOM 0 HB3 ASN A 65 -6.590 3.919 -5.362 1.00 0.70 H new ATOM 0 HD21 ASN A 65 -4.823 0.825 -6.414 1.00 0.97 H new ATOM 0 HD22 ASN A 65 -4.463 2.526 -6.102 1.00 0.97 H new ATOM 961 N HIS A 66 -8.322 3.390 -8.994 1.00 0.44 N ATOM 962 CA HIS A 66 -8.645 2.728 -10.275 1.00 0.58 C ATOM 963 C HIS A 66 -7.670 3.183 -11.368 1.00 0.69 C ATOM 964 O HIS A 66 -7.806 4.301 -11.829 1.00 0.84 O ATOM 965 CB HIS A 66 -10.077 3.144 -10.612 1.00 0.54 C ATOM 966 CG HIS A 66 -10.617 2.225 -11.678 1.00 0.59 C ATOM 967 ND1 HIS A 66 -9.906 1.123 -12.130 1.00 0.64 N ATOM 968 CD2 HIS A 66 -11.791 2.231 -12.395 1.00 0.63 C ATOM 969 CE1 HIS A 66 -10.648 0.519 -13.076 1.00 0.68 C ATOM 970 NE2 HIS A 66 -11.806 1.153 -13.276 1.00 0.68 N ATOM 971 OXT HIS A 66 -6.800 2.401 -11.720 1.00 0.66 O ATOM 0 H HIS A 66 -7.753 4.233 -9.076 1.00 0.44 H new ATOM 0 HA HIS A 66 -8.557 1.644 -10.204 1.00 0.58 H new ATOM 0 HB2 HIS A 66 -10.703 3.096 -9.721 1.00 0.54 H new ATOM 0 HB3 HIS A 66 -10.097 4.177 -10.960 1.00 0.54 H new ATOM 0 HD2 HIS A 66 -12.580 2.961 -12.290 1.00 0.63 H new ATOM 0 HE1 HIS A 66 -10.344 -0.370 -13.609 1.00 0.68 H new ATOM 0 HE2 HIS A 66 -12.544 0.901 -13.934 1.00 0.68 H new TER 979 HIS A 66 ATOM 980 N ARG B 1 16.986 2.105 -3.144 1.00 0.49 N ATOM 981 CA ARG B 1 17.275 3.244 -4.062 1.00 0.39 C ATOM 982 C ARG B 1 16.090 3.498 -4.989 1.00 0.37 C ATOM 983 O ARG B 1 15.591 4.602 -5.086 1.00 0.42 O ATOM 984 CB ARG B 1 18.491 2.808 -4.879 1.00 0.32 C ATOM 985 CG ARG B 1 19.193 4.048 -5.437 1.00 0.32 C ATOM 986 CD ARG B 1 20.692 3.972 -5.135 1.00 0.35 C ATOM 987 NE ARG B 1 20.823 4.406 -3.715 1.00 0.37 N ATOM 988 CZ ARG B 1 21.951 4.908 -3.287 1.00 0.49 C ATOM 989 NH1 ARG B 1 22.989 4.134 -3.125 1.00 0.80 N ATOM 990 NH2 ARG B 1 22.039 6.182 -3.013 1.00 0.54 N ATOM 0 H1 ARG B 1 17.872 1.610 -2.916 1.00 0.49 H new ATOM 0 H2 ARG B 1 16.556 2.465 -2.268 1.00 0.49 H new ATOM 0 H3 ARG B 1 16.329 1.445 -3.606 1.00 0.49 H new ATOM 0 HA ARG B 1 17.458 4.167 -3.512 1.00 0.39 H new ATOM 0 HB2 ARG B 1 19.178 2.237 -4.255 1.00 0.32 H new ATOM 0 HB3 ARG B 1 18.181 2.153 -5.694 1.00 0.32 H new ATOM 0 HG2 ARG B 1 19.032 4.116 -6.513 1.00 0.32 H new ATOM 0 HG3 ARG B 1 18.768 4.949 -4.994 1.00 0.32 H new ATOM 0 HD2 ARG B 1 21.072 2.960 -5.275 1.00 0.35 H new ATOM 0 HD3 ARG B 1 21.262 4.621 -5.800 1.00 0.35 H new ATOM 0 HE ARG B 1 20.032 4.311 -3.078 1.00 0.37 H new ATOM 0 HH11 ARG B 1 22.920 3.138 -3.332 1.00 0.80 H new ATOM 0 HH12 ARG B 1 23.870 4.525 -2.791 1.00 0.80 H new ATOM 0 HH21 ARG B 1 21.226 6.787 -3.133 1.00 0.54 H new ATOM 0 HH22 ARG B 1 22.920 6.572 -2.679 1.00 0.54 H new ATOM 1006 N THR B 2 15.639 2.492 -5.685 1.00 0.38 N ATOM 1007 CA THR B 2 14.494 2.697 -6.614 1.00 0.42 C ATOM 1008 C THR B 2 13.335 1.754 -6.271 1.00 0.45 C ATOM 1009 O THR B 2 13.527 0.686 -5.722 1.00 0.49 O ATOM 1010 CB THR B 2 15.032 2.354 -7.994 1.00 0.39 C ATOM 1011 OG1 THR B 2 16.258 3.042 -8.213 1.00 0.40 O ATOM 1012 CG2 THR B 2 14.003 2.792 -9.031 1.00 0.41 C ATOM 0 H THR B 2 16.011 1.543 -5.651 1.00 0.38 H new ATOM 0 HA THR B 2 14.112 3.716 -6.552 1.00 0.42 H new ATOM 0 HB THR B 2 15.212 1.282 -8.073 1.00 0.39 H new ATOM 0 HG1 THR B 2 16.604 2.818 -9.102 1.00 0.40 H new ATOM 0 HG21 THR B 2 14.369 2.555 -10.030 1.00 0.41 H new ATOM 0 HG22 THR B 2 13.064 2.268 -8.855 1.00 0.41 H new ATOM 0 HG23 THR B 2 13.840 3.867 -8.950 1.00 0.41 H new ATOM 1020 N CYS B 3 12.134 2.136 -6.617 1.00 0.44 N ATOM 1021 CA CYS B 3 10.950 1.277 -6.353 1.00 0.45 C ATOM 1022 C CYS B 3 10.095 1.241 -7.616 1.00 0.42 C ATOM 1023 O CYS B 3 10.330 1.983 -8.549 1.00 0.45 O ATOM 1024 CB CYS B 3 10.190 1.950 -5.206 1.00 0.49 C ATOM 1025 SG CYS B 3 9.499 3.528 -5.768 1.00 0.49 S ATOM 0 H CYS B 3 11.924 3.021 -7.078 1.00 0.44 H new ATOM 0 HA CYS B 3 11.218 0.254 -6.089 1.00 0.45 H new ATOM 0 HB2 CYS B 3 9.391 1.297 -4.855 1.00 0.49 H new ATOM 0 HB3 CYS B 3 10.860 2.116 -4.362 1.00 0.49 H new ATOM 1030 N LEU B 4 9.111 0.397 -7.670 1.00 0.43 N ATOM 1031 CA LEU B 4 8.273 0.352 -8.895 1.00 0.41 C ATOM 1032 C LEU B 4 6.827 0.697 -8.555 1.00 0.41 C ATOM 1033 O LEU B 4 6.321 0.358 -7.506 1.00 0.43 O ATOM 1034 CB LEU B 4 8.388 -1.083 -9.410 1.00 0.45 C ATOM 1035 CG LEU B 4 9.863 -1.445 -9.632 1.00 0.47 C ATOM 1036 CD1 LEU B 4 9.952 -2.647 -10.572 1.00 0.57 C ATOM 1037 CD2 LEU B 4 10.617 -0.262 -10.260 1.00 0.51 C ATOM 0 H LEU B 4 8.851 -0.256 -6.931 1.00 0.43 H new ATOM 0 HA LEU B 4 8.599 1.072 -9.646 1.00 0.41 H new ATOM 0 HB2 LEU B 4 7.940 -1.772 -8.694 1.00 0.45 H new ATOM 0 HB3 LEU B 4 7.835 -1.189 -10.343 1.00 0.45 H new ATOM 0 HG LEU B 4 10.314 -1.685 -8.669 1.00 0.47 H new ATOM 0 HD11 LEU B 4 10.998 -2.907 -10.732 1.00 0.57 H new ATOM 0 HD12 LEU B 4 9.431 -3.495 -10.128 1.00 0.57 H new ATOM 0 HD13 LEU B 4 9.490 -2.397 -11.527 1.00 0.57 H new ATOM 0 HD21 LEU B 4 11.661 -0.535 -10.411 1.00 0.51 H new ATOM 0 HD22 LEU B 4 10.165 -0.011 -11.220 1.00 0.51 H new ATOM 0 HD23 LEU B 4 10.560 0.600 -9.595 1.00 0.51 H new ATOM 1049 N ILE B 5 6.169 1.384 -9.442 1.00 0.44 N ATOM 1050 CA ILE B 5 4.765 1.776 -9.195 1.00 0.46 C ATOM 1051 C ILE B 5 3.884 1.289 -10.345 1.00 0.48 C ATOM 1052 O ILE B 5 4.351 1.047 -11.442 1.00 0.49 O ATOM 1053 CB ILE B 5 4.796 3.300 -9.128 1.00 0.50 C ATOM 1054 CG1 ILE B 5 5.697 3.853 -10.240 1.00 0.47 C ATOM 1055 CG2 ILE B 5 5.336 3.734 -7.764 1.00 0.59 C ATOM 1056 CD1 ILE B 5 5.708 5.379 -10.170 1.00 0.48 C ATOM 0 H ILE B 5 6.552 1.692 -10.336 1.00 0.44 H new ATOM 0 HA ILE B 5 4.355 1.343 -8.282 1.00 0.46 H new ATOM 0 HB ILE B 5 3.787 3.689 -9.263 1.00 0.50 H new ATOM 0 HG12 ILE B 5 6.710 3.465 -10.130 1.00 0.47 H new ATOM 0 HG13 ILE B 5 5.335 3.525 -11.214 1.00 0.47 H new ATOM 0 HG21 ILE B 5 5.360 4.822 -7.712 1.00 0.59 H new ATOM 0 HG22 ILE B 5 4.689 3.347 -6.977 1.00 0.59 H new ATOM 0 HG23 ILE B 5 6.344 3.342 -7.630 1.00 0.59 H new ATOM 0 HD11 ILE B 5 6.347 5.775 -10.959 1.00 0.48 H new ATOM 0 HD12 ILE B 5 4.694 5.757 -10.301 1.00 0.48 H new ATOM 0 HD13 ILE B 5 6.090 5.696 -9.200 1.00 0.48 H new ATOM 1068 N SER B 6 2.616 1.131 -10.098 1.00 0.54 N ATOM 1069 CA SER B 6 1.714 0.646 -11.173 1.00 0.58 C ATOM 1070 C SER B 6 1.468 1.730 -12.239 1.00 0.62 C ATOM 1071 O SER B 6 1.435 1.418 -13.413 1.00 0.66 O ATOM 1072 CB SER B 6 0.415 0.262 -10.464 1.00 0.61 C ATOM 1073 OG SER B 6 0.652 -0.855 -9.613 1.00 0.71 O ATOM 0 H SER B 6 2.167 1.316 -9.201 1.00 0.54 H new ATOM 0 HA SER B 6 2.149 -0.197 -11.709 1.00 0.58 H new ATOM 0 HB2 SER B 6 0.043 1.105 -9.881 1.00 0.61 H new ATOM 0 HB3 SER B 6 -0.354 0.018 -11.197 1.00 0.61 H new ATOM 0 HG SER B 6 -0.196 -1.158 -9.227 1.00 0.71 H new ATOM 1079 N PRO B 7 1.290 2.967 -11.819 1.00 0.65 N ATOM 1080 CA PRO B 7 1.039 4.057 -12.799 1.00 0.72 C ATOM 1081 C PRO B 7 2.292 4.373 -13.633 1.00 0.63 C ATOM 1082 O PRO B 7 2.212 5.039 -14.645 1.00 0.71 O ATOM 1083 CB PRO B 7 0.658 5.250 -11.927 1.00 0.82 C ATOM 1084 CG PRO B 7 1.290 4.973 -10.608 1.00 0.79 C ATOM 1085 CD PRO B 7 1.296 3.476 -10.435 1.00 0.67 C ATOM 0 HA PRO B 7 0.268 3.790 -13.522 1.00 0.72 H new ATOM 0 HB2 PRO B 7 1.024 6.184 -12.353 1.00 0.82 H new ATOM 0 HB3 PRO B 7 -0.424 5.344 -11.835 1.00 0.82 H new ATOM 0 HG2 PRO B 7 2.304 5.370 -10.574 1.00 0.79 H new ATOM 0 HG3 PRO B 7 0.733 5.453 -9.804 1.00 0.79 H new ATOM 0 HD2 PRO B 7 2.176 3.139 -9.888 1.00 0.67 H new ATOM 0 HD3 PRO B 7 0.424 3.133 -9.878 1.00 0.67 H new ATOM 1093 N SER B 8 3.447 3.915 -13.229 1.00 0.58 N ATOM 1094 CA SER B 8 4.671 4.218 -14.028 1.00 0.58 C ATOM 1095 C SER B 8 5.427 2.932 -14.357 1.00 0.45 C ATOM 1096 O SER B 8 5.888 2.737 -15.463 1.00 0.46 O ATOM 1097 CB SER B 8 5.525 5.120 -13.142 1.00 0.72 C ATOM 1098 OG SER B 8 6.259 6.018 -13.963 1.00 0.86 O ATOM 0 H SER B 8 3.596 3.352 -12.392 1.00 0.58 H new ATOM 0 HA SER B 8 4.424 4.696 -14.976 1.00 0.58 H new ATOM 0 HB2 SER B 8 4.892 5.675 -12.450 1.00 0.72 H new ATOM 0 HB3 SER B 8 6.206 4.519 -12.539 1.00 0.72 H new ATOM 0 HG SER B 8 6.809 6.602 -13.399 1.00 0.86 H new ATOM 1104 N SER B 9 5.564 2.059 -13.402 1.00 0.43 N ATOM 1105 CA SER B 9 6.293 0.786 -13.658 1.00 0.39 C ATOM 1106 C SER B 9 7.668 1.083 -14.269 1.00 0.35 C ATOM 1107 O SER B 9 7.968 0.688 -15.377 1.00 0.47 O ATOM 1108 CB SER B 9 5.417 0.009 -14.642 1.00 0.49 C ATOM 1109 OG SER B 9 5.491 -1.380 -14.346 1.00 0.52 O ATOM 0 H SER B 9 5.203 2.170 -12.454 1.00 0.43 H new ATOM 0 HA SER B 9 6.467 0.218 -12.744 1.00 0.39 H new ATOM 0 HB2 SER B 9 4.384 0.352 -14.575 1.00 0.49 H new ATOM 0 HB3 SER B 9 5.748 0.192 -15.664 1.00 0.49 H new ATOM 0 HG SER B 9 4.929 -1.879 -14.975 1.00 0.52 H new ATOM 1115 N THR B 10 8.499 1.778 -13.546 1.00 0.34 N ATOM 1116 CA THR B 10 9.861 2.111 -14.062 1.00 0.37 C ATOM 1117 C THR B 10 10.873 2.071 -12.914 1.00 0.29 C ATOM 1118 O THR B 10 10.515 2.246 -11.768 1.00 0.35 O ATOM 1119 CB THR B 10 9.739 3.528 -14.628 1.00 0.54 C ATOM 1120 OG1 THR B 10 9.582 4.453 -13.562 1.00 0.66 O ATOM 1121 CG2 THR B 10 8.521 3.610 -15.547 1.00 0.71 C ATOM 0 H THR B 10 8.294 2.134 -12.612 1.00 0.34 H new ATOM 0 HA THR B 10 10.205 1.406 -14.818 1.00 0.37 H new ATOM 0 HB THR B 10 10.640 3.768 -15.193 1.00 0.54 H new ATOM 0 HG1 THR B 10 9.506 5.360 -13.925 1.00 0.66 H new ATOM 0 HG21 THR B 10 8.436 4.620 -15.949 1.00 0.71 H new ATOM 0 HG22 THR B 10 8.636 2.901 -16.367 1.00 0.71 H new ATOM 0 HG23 THR B 10 7.621 3.368 -14.981 1.00 0.71 H new ATOM 1129 N PRO B 11 12.109 1.832 -13.260 1.00 0.32 N ATOM 1130 CA PRO B 11 13.183 1.759 -12.244 1.00 0.33 C ATOM 1131 C PRO B 11 13.663 3.153 -11.820 1.00 0.28 C ATOM 1132 O PRO B 11 14.785 3.533 -12.092 1.00 0.32 O ATOM 1133 CB PRO B 11 14.298 1.001 -12.961 1.00 0.50 C ATOM 1134 CG PRO B 11 14.069 1.231 -14.424 1.00 0.55 C ATOM 1135 CD PRO B 11 12.617 1.604 -14.618 1.00 0.50 C ATOM 0 HA PRO B 11 12.851 1.276 -11.325 1.00 0.33 H new ATOM 0 HB2 PRO B 11 15.279 1.366 -12.656 1.00 0.50 H new ATOM 0 HB3 PRO B 11 14.265 -0.062 -12.722 1.00 0.50 H new ATOM 0 HG2 PRO B 11 14.719 2.026 -14.791 1.00 0.55 H new ATOM 0 HG3 PRO B 11 14.311 0.333 -14.993 1.00 0.55 H new ATOM 0 HD2 PRO B 11 12.516 2.497 -15.234 1.00 0.50 H new ATOM 0 HD3 PRO B 11 12.067 0.808 -15.119 1.00 0.50 H new ATOM 1143 N GLN B 12 12.838 3.915 -11.149 1.00 0.25 N ATOM 1144 CA GLN B 12 13.285 5.271 -10.713 1.00 0.25 C ATOM 1145 C GLN B 12 12.442 5.759 -9.532 1.00 0.30 C ATOM 1146 O GLN B 12 11.477 6.475 -9.716 1.00 0.40 O ATOM 1147 CB GLN B 12 13.068 6.166 -11.935 1.00 0.31 C ATOM 1148 CG GLN B 12 13.821 7.485 -11.747 1.00 0.34 C ATOM 1149 CD GLN B 12 13.112 8.593 -12.531 1.00 0.52 C ATOM 1150 OE1 GLN B 12 11.905 8.724 -12.465 1.00 0.85 O ATOM 1151 NE2 GLN B 12 13.816 9.404 -13.272 1.00 0.71 N ATOM 0 H GLN B 12 11.886 3.661 -10.887 1.00 0.25 H new ATOM 0 HA GLN B 12 14.323 5.276 -10.379 1.00 0.25 H new ATOM 0 HB2 GLN B 12 13.419 5.661 -12.835 1.00 0.31 H new ATOM 0 HB3 GLN B 12 12.004 6.360 -12.072 1.00 0.31 H new ATOM 0 HG2 GLN B 12 13.864 7.744 -10.689 1.00 0.34 H new ATOM 0 HG3 GLN B 12 14.850 7.381 -12.092 1.00 0.34 H new ATOM 0 HE21 GLN B 12 14.829 9.295 -13.328 1.00 0.71 H new ATOM 0 HE22 GLN B 12 13.354 10.147 -13.796 1.00 0.71 H new ATOM 1160 N THR B 13 12.792 5.405 -8.316 1.00 0.33 N ATOM 1161 CA THR B 13 11.978 5.901 -7.177 1.00 0.39 C ATOM 1162 C THR B 13 11.985 7.400 -7.239 1.00 0.39 C ATOM 1163 O THR B 13 10.993 8.060 -7.474 1.00 0.41 O ATOM 1164 CB THR B 13 12.705 5.561 -5.883 1.00 0.45 C ATOM 1165 OG1 THR B 13 12.662 4.174 -5.625 1.00 0.50 O ATOM 1166 CG2 THR B 13 12.042 6.290 -4.713 1.00 0.56 C ATOM 0 H THR B 13 13.585 4.810 -8.074 1.00 0.33 H new ATOM 0 HA THR B 13 10.977 5.472 -7.217 1.00 0.39 H new ATOM 0 HB THR B 13 13.744 5.873 -5.991 1.00 0.45 H new ATOM 0 HG1 THR B 13 11.731 3.893 -5.501 1.00 0.50 H new ATOM 0 HG21 THR B 13 12.564 6.045 -3.788 1.00 0.56 H new ATOM 0 HG22 THR B 13 12.088 7.366 -4.881 1.00 0.56 H new ATOM 0 HG23 THR B 13 11.000 5.980 -4.634 1.00 0.56 H new ATOM 1174 N CYS B 14 13.157 7.924 -7.013 1.00 0.37 N ATOM 1175 CA CYS B 14 13.332 9.367 -7.028 1.00 0.38 C ATOM 1176 C CYS B 14 14.813 9.724 -7.193 1.00 0.33 C ATOM 1177 O CYS B 14 15.677 8.882 -7.039 1.00 0.40 O ATOM 1178 CB CYS B 14 12.814 9.859 -5.674 1.00 0.43 C ATOM 1179 SG CYS B 14 11.035 10.167 -5.767 1.00 0.50 S ATOM 0 H CYS B 14 14.003 7.389 -6.817 1.00 0.37 H new ATOM 0 HA CYS B 14 12.797 9.829 -7.858 1.00 0.38 H new ATOM 0 HB2 CYS B 14 13.023 9.117 -4.904 1.00 0.43 H new ATOM 0 HB3 CYS B 14 13.335 10.772 -5.386 1.00 0.43 H new ATOM 1184 N PRO B 15 15.056 10.967 -7.492 1.00 0.32 N ATOM 1185 CA PRO B 15 16.449 11.451 -7.665 1.00 0.33 C ATOM 1186 C PRO B 15 17.186 11.487 -6.321 1.00 0.30 C ATOM 1187 O PRO B 15 18.359 11.795 -6.255 1.00 0.54 O ATOM 1188 CB PRO B 15 16.271 12.849 -8.249 1.00 0.41 C ATOM 1189 CG PRO B 15 14.902 13.281 -7.821 1.00 0.39 C ATOM 1190 CD PRO B 15 14.068 12.032 -7.688 1.00 0.36 C ATOM 0 HA PRO B 15 17.051 10.807 -8.305 1.00 0.33 H new ATOM 0 HB2 PRO B 15 17.034 13.532 -7.876 1.00 0.41 H new ATOM 0 HB3 PRO B 15 16.358 12.836 -9.335 1.00 0.41 H new ATOM 0 HG2 PRO B 15 14.946 13.818 -6.874 1.00 0.39 H new ATOM 0 HG3 PRO B 15 14.465 13.960 -8.553 1.00 0.39 H new ATOM 0 HD2 PRO B 15 13.380 12.099 -6.845 1.00 0.36 H new ATOM 0 HD3 PRO B 15 13.464 11.858 -8.579 1.00 0.36 H new ATOM 1198 N ASN B 16 16.509 11.174 -5.247 1.00 0.28 N ATOM 1199 CA ASN B 16 17.184 11.190 -3.914 1.00 0.30 C ATOM 1200 C ASN B 16 16.470 10.248 -2.939 1.00 0.23 C ATOM 1201 O ASN B 16 15.404 9.738 -3.222 1.00 0.35 O ATOM 1202 CB ASN B 16 17.068 12.638 -3.432 1.00 0.50 C ATOM 1203 CG ASN B 16 18.365 13.046 -2.730 1.00 0.69 C ATOM 1204 OD1 ASN B 16 18.405 13.173 -1.519 1.00 0.72 O ATOM 1205 ND2 ASN B 16 19.441 13.259 -3.440 1.00 0.94 N ATOM 0 H ASN B 16 15.524 10.909 -5.234 1.00 0.28 H new ATOM 0 HA ASN B 16 18.220 10.856 -3.976 1.00 0.30 H new ATOM 0 HB2 ASN B 16 16.875 13.300 -4.277 1.00 0.50 H new ATOM 0 HB3 ASN B 16 16.225 12.739 -2.749 1.00 0.50 H new ATOM 0 HD21 ASN B 16 20.310 13.530 -2.980 1.00 0.94 H new ATOM 0 HD22 ASN B 16 19.412 13.154 -4.454 1.00 0.94 H new ATOM 1212 N GLY B 17 17.045 10.021 -1.788 1.00 0.28 N ATOM 1213 CA GLY B 17 16.394 9.124 -0.790 1.00 0.32 C ATOM 1214 C GLY B 17 16.725 7.663 -1.099 1.00 0.27 C ATOM 1215 O GLY B 17 16.365 7.135 -2.133 1.00 0.37 O ATOM 0 H GLY B 17 17.938 10.418 -1.496 1.00 0.28 H new ATOM 0 HA2 GLY B 17 16.734 9.377 0.214 1.00 0.32 H new ATOM 0 HA3 GLY B 17 15.314 9.271 -0.807 1.00 0.32 H new ATOM 1219 N GLN B 18 17.413 7.012 -0.205 1.00 0.30 N ATOM 1220 CA GLN B 18 17.783 5.588 -0.428 1.00 0.29 C ATOM 1221 C GLN B 18 16.539 4.695 -0.484 1.00 0.32 C ATOM 1222 O GLN B 18 16.375 3.902 -1.391 1.00 0.43 O ATOM 1223 CB GLN B 18 18.663 5.232 0.771 1.00 0.46 C ATOM 1224 CG GLN B 18 20.108 5.652 0.484 1.00 0.69 C ATOM 1225 CD GLN B 18 21.061 4.697 1.201 1.00 0.93 C ATOM 1226 OE1 GLN B 18 20.629 3.796 1.888 1.00 1.20 O ATOM 1227 NE2 GLN B 18 22.347 4.853 1.062 1.00 0.94 N ATOM 0 H GLN B 18 17.737 7.408 0.677 1.00 0.30 H new ATOM 0 HA GLN B 18 18.296 5.438 -1.378 1.00 0.29 H new ATOM 0 HB2 GLN B 18 18.298 5.735 1.666 1.00 0.46 H new ATOM 0 HB3 GLN B 18 18.616 4.161 0.965 1.00 0.46 H new ATOM 0 HG2 GLN B 18 20.298 5.636 -0.589 1.00 0.69 H new ATOM 0 HG3 GLN B 18 20.276 6.674 0.822 1.00 0.69 H new ATOM 0 HE21 GLN B 18 22.709 5.611 0.484 1.00 0.94 H new ATOM 0 HE22 GLN B 18 22.992 4.217 1.531 1.00 0.94 H new ATOM 1236 N ASP B 19 15.660 4.811 0.476 1.00 0.43 N ATOM 1237 CA ASP B 19 14.433 3.958 0.461 1.00 0.57 C ATOM 1238 C ASP B 19 13.175 4.799 0.715 1.00 0.56 C ATOM 1239 O ASP B 19 12.436 4.552 1.646 1.00 0.73 O ATOM 1240 CB ASP B 19 14.631 2.952 1.596 1.00 0.75 C ATOM 1241 CG ASP B 19 15.529 1.805 1.126 1.00 0.84 C ATOM 1242 OD1 ASP B 19 16.713 2.038 0.947 1.00 0.79 O ATOM 1243 OD2 ASP B 19 15.016 0.712 0.954 1.00 1.05 O ATOM 0 H ASP B 19 15.736 5.454 1.264 1.00 0.43 H new ATOM 0 HA ASP B 19 14.295 3.472 -0.505 1.00 0.57 H new ATOM 0 HB2 ASP B 19 15.079 3.447 2.458 1.00 0.75 H new ATOM 0 HB3 ASP B 19 13.666 2.561 1.919 1.00 0.75 H new ATOM 1248 N ILE B 20 12.915 5.781 -0.106 1.00 0.45 N ATOM 1249 CA ILE B 20 11.694 6.612 0.106 1.00 0.43 C ATOM 1250 C ILE B 20 10.729 6.439 -1.074 1.00 0.43 C ATOM 1251 O ILE B 20 10.973 6.915 -2.164 1.00 0.52 O ATOM 1252 CB ILE B 20 12.209 8.050 0.187 1.00 0.45 C ATOM 1253 CG1 ILE B 20 13.228 8.160 1.324 1.00 0.48 C ATOM 1254 CG2 ILE B 20 11.042 8.997 0.465 1.00 0.47 C ATOM 1255 CD1 ILE B 20 13.602 9.626 1.539 1.00 0.50 C ATOM 0 H ILE B 20 13.489 6.042 -0.907 1.00 0.45 H new ATOM 0 HA ILE B 20 11.144 6.329 1.004 1.00 0.43 H new ATOM 0 HB ILE B 20 12.680 8.320 -0.758 1.00 0.45 H new ATOM 0 HG12 ILE B 20 12.811 7.743 2.241 1.00 0.48 H new ATOM 0 HG13 ILE B 20 14.118 7.579 1.085 1.00 0.48 H new ATOM 0 HG21 ILE B 20 11.410 10.021 0.522 1.00 0.47 H new ATOM 0 HG22 ILE B 20 10.311 8.919 -0.339 1.00 0.47 H new ATOM 0 HG23 ILE B 20 10.572 8.727 1.410 1.00 0.47 H new ATOM 0 HD11 ILE B 20 14.328 9.701 2.349 1.00 0.50 H new ATOM 0 HD12 ILE B 20 14.036 10.029 0.624 1.00 0.50 H new ATOM 0 HD13 ILE B 20 12.709 10.195 1.798 1.00 0.50 H new ATOM 1267 N CYS B 21 9.634 5.753 -0.862 1.00 0.38 N ATOM 1268 CA CYS B 21 8.650 5.539 -1.969 1.00 0.36 C ATOM 1269 C CYS B 21 7.375 4.880 -1.427 1.00 0.31 C ATOM 1270 O CYS B 21 7.366 3.711 -1.091 1.00 0.33 O ATOM 1271 CB CYS B 21 9.373 4.602 -2.939 1.00 0.40 C ATOM 1272 SG CYS B 21 8.256 4.094 -4.271 1.00 0.41 S ATOM 0 H CYS B 21 9.378 5.331 0.031 1.00 0.38 H new ATOM 0 HA CYS B 21 8.340 6.470 -2.444 1.00 0.36 H new ATOM 0 HB2 CYS B 21 10.245 5.104 -3.358 1.00 0.40 H new ATOM 0 HB3 CYS B 21 9.736 3.724 -2.405 1.00 0.40 H new ATOM 1277 N PHE B 22 6.293 5.612 -1.346 1.00 0.30 N ATOM 1278 CA PHE B 22 5.030 5.027 -0.836 1.00 0.28 C ATOM 1279 C PHE B 22 3.824 5.837 -1.312 1.00 0.24 C ATOM 1280 O PHE B 22 3.945 6.788 -2.061 1.00 0.30 O ATOM 1281 CB PHE B 22 5.141 5.072 0.693 1.00 0.33 C ATOM 1282 CG PHE B 22 4.809 6.462 1.172 1.00 0.32 C ATOM 1283 CD1 PHE B 22 5.718 7.504 0.979 1.00 0.33 C ATOM 1284 CD2 PHE B 22 3.577 6.710 1.786 1.00 0.34 C ATOM 1285 CE1 PHE B 22 5.395 8.799 1.400 1.00 0.33 C ATOM 1286 CE2 PHE B 22 3.254 8.002 2.211 1.00 0.35 C ATOM 1287 CZ PHE B 22 4.162 9.048 2.019 1.00 0.31 C ATOM 0 H PHE B 22 6.236 6.594 -1.614 1.00 0.30 H new ATOM 0 HA PHE B 22 4.886 4.010 -1.200 1.00 0.28 H new ATOM 0 HB2 PHE B 22 4.461 4.348 1.141 1.00 0.33 H new ATOM 0 HB3 PHE B 22 6.149 4.798 1.005 1.00 0.33 H new ATOM 0 HD1 PHE B 22 6.669 7.311 0.505 1.00 0.33 H new ATOM 0 HD2 PHE B 22 2.875 5.903 1.932 1.00 0.34 H new ATOM 0 HE1 PHE B 22 6.096 9.607 1.248 1.00 0.33 H new ATOM 0 HE2 PHE B 22 2.304 8.192 2.687 1.00 0.35 H new ATOM 0 HZ PHE B 22 3.914 10.047 2.347 1.00 0.31 H new ATOM 1297 N LEU B 23 2.662 5.457 -0.868 1.00 0.25 N ATOM 1298 CA LEU B 23 1.425 6.186 -1.269 1.00 0.28 C ATOM 1299 C LEU B 23 0.648 6.623 -0.025 1.00 0.26 C ATOM 1300 O LEU B 23 0.653 5.946 0.984 1.00 0.31 O ATOM 1301 CB LEU B 23 0.616 5.163 -2.065 1.00 0.36 C ATOM 1302 CG LEU B 23 -0.564 5.859 -2.740 1.00 0.45 C ATOM 1303 CD1 LEU B 23 -1.017 5.029 -3.943 1.00 0.72 C ATOM 1304 CD2 LEU B 23 -1.716 5.990 -1.739 1.00 0.45 C ATOM 0 H LEU B 23 2.512 4.667 -0.240 1.00 0.25 H new ATOM 0 HA LEU B 23 1.639 7.085 -1.847 1.00 0.28 H new ATOM 0 HB2 LEU B 23 1.248 4.687 -2.815 1.00 0.36 H new ATOM 0 HB3 LEU B 23 0.257 4.374 -1.404 1.00 0.36 H new ATOM 0 HG LEU B 23 -0.264 6.852 -3.076 1.00 0.45 H new ATOM 0 HD11 LEU B 23 -1.859 5.522 -4.428 1.00 0.72 H new ATOM 0 HD12 LEU B 23 -0.194 4.936 -4.651 1.00 0.72 H new ATOM 0 HD13 LEU B 23 -1.321 4.038 -3.607 1.00 0.72 H new ATOM 0 HD21 LEU B 23 -2.560 6.487 -2.218 1.00 0.45 H new ATOM 0 HD22 LEU B 23 -2.021 4.999 -1.404 1.00 0.45 H new ATOM 0 HD23 LEU B 23 -1.388 6.578 -0.882 1.00 0.45 H new ATOM 1316 N LYS B 24 -0.022 7.745 -0.072 1.00 0.26 N ATOM 1317 CA LYS B 24 -0.783 8.176 1.136 1.00 0.26 C ATOM 1318 C LYS B 24 -2.214 8.601 0.782 1.00 0.27 C ATOM 1319 O LYS B 24 -2.433 9.575 0.087 1.00 0.32 O ATOM 1320 CB LYS B 24 -0.013 9.360 1.708 1.00 0.26 C ATOM 1321 CG LYS B 24 -0.514 9.622 3.128 1.00 0.31 C ATOM 1322 CD LYS B 24 0.386 10.642 3.820 1.00 0.41 C ATOM 1323 CE LYS B 24 -0.263 11.070 5.138 1.00 0.54 C ATOM 1324 NZ LYS B 24 -0.647 12.495 4.934 1.00 0.70 N ATOM 0 H LYS B 24 -0.075 8.369 -0.877 1.00 0.26 H new ATOM 0 HA LYS B 24 -0.872 7.356 1.849 1.00 0.26 H new ATOM 0 HB2 LYS B 24 1.056 9.148 1.716 1.00 0.26 H new ATOM 0 HB3 LYS B 24 -0.158 10.243 1.086 1.00 0.26 H new ATOM 0 HG2 LYS B 24 -1.539 9.991 3.098 1.00 0.31 H new ATOM 0 HG3 LYS B 24 -0.526 8.691 3.696 1.00 0.31 H new ATOM 0 HD2 LYS B 24 1.369 10.210 4.008 1.00 0.41 H new ATOM 0 HD3 LYS B 24 0.537 11.509 3.176 1.00 0.41 H new ATOM 0 HE2 LYS B 24 -1.134 10.456 5.367 1.00 0.54 H new ATOM 0 HE3 LYS B 24 0.430 10.964 5.972 1.00 0.54 H new ATOM 0 HZ1 LYS B 24 -1.099 12.860 5.797 1.00 0.70 H new ATOM 0 HZ2 LYS B 24 0.203 13.057 4.725 1.00 0.70 H new ATOM 0 HZ3 LYS B 24 -1.313 12.565 4.138 1.00 0.70 H new ATOM 1338 N ALA B 25 -3.186 7.887 1.280 1.00 0.26 N ATOM 1339 CA ALA B 25 -4.603 8.259 1.005 1.00 0.28 C ATOM 1340 C ALA B 25 -5.344 8.473 2.327 1.00 0.27 C ATOM 1341 O ALA B 25 -5.480 7.568 3.129 1.00 0.33 O ATOM 1342 CB ALA B 25 -5.201 7.075 0.250 1.00 0.32 C ATOM 0 H ALA B 25 -3.060 7.062 1.866 1.00 0.26 H new ATOM 0 HA ALA B 25 -4.681 9.181 0.429 1.00 0.28 H new ATOM 0 HB1 ALA B 25 -6.245 7.283 0.016 1.00 0.32 H new ATOM 0 HB2 ALA B 25 -4.646 6.916 -0.675 1.00 0.32 H new ATOM 0 HB3 ALA B 25 -5.139 6.180 0.869 1.00 0.32 H new ATOM 1348 N GLN B 26 -5.828 9.656 2.562 1.00 0.27 N ATOM 1349 CA GLN B 26 -6.564 9.923 3.831 1.00 0.29 C ATOM 1350 C GLN B 26 -7.469 11.145 3.660 1.00 0.27 C ATOM 1351 O GLN B 26 -7.259 11.964 2.785 1.00 0.31 O ATOM 1352 CB GLN B 26 -5.483 10.189 4.884 1.00 0.33 C ATOM 1353 CG GLN B 26 -6.152 10.365 6.248 1.00 0.34 C ATOM 1354 CD GLN B 26 -5.096 10.322 7.355 1.00 0.41 C ATOM 1355 OE1 GLN B 26 -3.927 10.118 7.092 1.00 0.55 O ATOM 1356 NE2 GLN B 26 -5.462 10.513 8.593 1.00 0.56 N ATOM 0 H GLN B 26 -5.747 10.453 1.931 1.00 0.27 H new ATOM 0 HA GLN B 26 -7.203 9.089 4.121 1.00 0.29 H new ATOM 0 HB2 GLN B 26 -4.776 9.360 4.915 1.00 0.33 H new ATOM 0 HB3 GLN B 26 -4.916 11.083 4.624 1.00 0.33 H new ATOM 0 HG2 GLN B 26 -6.687 11.314 6.281 1.00 0.34 H new ATOM 0 HG3 GLN B 26 -6.889 9.578 6.406 1.00 0.34 H new ATOM 0 HE21 GLN B 26 -6.443 10.684 8.814 1.00 0.56 H new ATOM 0 HE22 GLN B 26 -4.767 10.491 9.339 1.00 0.56 H new ATOM 1365 N CYS B 27 -8.476 11.272 4.479 1.00 0.28 N ATOM 1366 CA CYS B 27 -9.394 12.440 4.348 1.00 0.30 C ATOM 1367 C CYS B 27 -9.340 13.314 5.599 1.00 0.28 C ATOM 1368 O CYS B 27 -9.060 12.850 6.688 1.00 0.39 O ATOM 1369 CB CYS B 27 -10.789 11.839 4.186 1.00 0.37 C ATOM 1370 SG CYS B 27 -11.071 11.412 2.449 1.00 0.58 S ATOM 0 H CYS B 27 -8.703 10.621 5.231 1.00 0.28 H new ATOM 0 HA CYS B 27 -9.118 13.075 3.506 1.00 0.30 H new ATOM 0 HB2 CYS B 27 -10.887 10.950 4.810 1.00 0.37 H new ATOM 0 HB3 CYS B 27 -11.543 12.550 4.523 1.00 0.37 H new ATOM 1375 N ASP B 28 -9.611 14.580 5.445 1.00 0.29 N ATOM 1376 CA ASP B 28 -9.580 15.510 6.612 1.00 0.32 C ATOM 1377 C ASP B 28 -10.968 16.122 6.823 1.00 0.36 C ATOM 1378 O ASP B 28 -11.103 17.297 7.098 1.00 0.48 O ATOM 1379 CB ASP B 28 -8.580 16.595 6.210 1.00 0.42 C ATOM 1380 CG ASP B 28 -9.051 17.258 4.912 1.00 0.52 C ATOM 1381 OD1 ASP B 28 -10.215 17.106 4.581 1.00 0.55 O ATOM 1382 OD2 ASP B 28 -8.240 17.905 4.269 1.00 0.78 O ATOM 0 H ASP B 28 -9.855 15.015 4.555 1.00 0.29 H new ATOM 0 HA ASP B 28 -9.300 15.012 7.541 1.00 0.32 H new ATOM 0 HB2 ASP B 28 -8.494 17.339 7.002 1.00 0.42 H new ATOM 0 HB3 ASP B 28 -7.590 16.161 6.072 1.00 0.42 H new ATOM 1387 N LYS B 29 -12.000 15.335 6.683 1.00 0.42 N ATOM 1388 CA LYS B 29 -13.379 15.871 6.861 1.00 0.53 C ATOM 1389 C LYS B 29 -13.715 16.849 5.736 1.00 0.57 C ATOM 1390 O LYS B 29 -13.973 18.010 5.968 1.00 0.69 O ATOM 1391 CB LYS B 29 -13.365 16.598 8.206 1.00 0.61 C ATOM 1392 CG LYS B 29 -14.762 16.540 8.832 1.00 0.63 C ATOM 1393 CD LYS B 29 -14.738 17.232 10.197 1.00 0.73 C ATOM 1394 CE LYS B 29 -15.829 18.305 10.252 1.00 0.86 C ATOM 1395 NZ LYS B 29 -15.292 19.351 11.169 1.00 0.98 N ATOM 0 H LYS B 29 -11.947 14.343 6.453 1.00 0.42 H new ATOM 0 HA LYS B 29 -14.128 15.079 6.836 1.00 0.53 H new ATOM 0 HB2 LYS B 29 -12.636 16.137 8.873 1.00 0.61 H new ATOM 0 HB3 LYS B 29 -13.059 17.635 8.068 1.00 0.61 H new ATOM 0 HG2 LYS B 29 -15.486 17.027 8.178 1.00 0.63 H new ATOM 0 HG3 LYS B 29 -15.080 15.503 8.943 1.00 0.63 H new ATOM 0 HD2 LYS B 29 -14.894 16.500 10.989 1.00 0.73 H new ATOM 0 HD3 LYS B 29 -13.761 17.684 10.369 1.00 0.73 H new ATOM 0 HE2 LYS B 29 -16.032 18.714 9.262 1.00 0.86 H new ATOM 0 HE3 LYS B 29 -16.767 17.896 10.626 1.00 0.86 H new ATOM 0 HZ1 LYS B 29 -15.984 20.122 11.259 1.00 0.98 H new ATOM 0 HZ2 LYS B 29 -15.115 18.934 12.105 1.00 0.98 H new ATOM 0 HZ3 LYS B 29 -14.402 19.727 10.784 1.00 0.98 H new ATOM 1409 N PHE B 30 -13.721 16.378 4.522 1.00 0.50 N ATOM 1410 CA PHE B 30 -14.044 17.267 3.365 1.00 0.51 C ATOM 1411 C PHE B 30 -14.302 16.421 2.113 1.00 0.48 C ATOM 1412 O PHE B 30 -15.118 16.764 1.281 1.00 0.51 O ATOM 1413 CB PHE B 30 -12.808 18.148 3.169 1.00 0.52 C ATOM 1414 CG PHE B 30 -12.875 19.341 4.095 1.00 0.58 C ATOM 1415 CD1 PHE B 30 -14.052 20.097 4.191 1.00 0.69 C ATOM 1416 CD2 PHE B 30 -11.757 19.690 4.856 1.00 0.66 C ATOM 1417 CE1 PHE B 30 -14.103 21.201 5.054 1.00 0.83 C ATOM 1418 CE2 PHE B 30 -11.808 20.791 5.719 1.00 0.80 C ATOM 1419 CZ PHE B 30 -12.981 21.547 5.816 1.00 0.85 C ATOM 0 H PHE B 30 -13.515 15.410 4.276 1.00 0.50 H new ATOM 0 HA PHE B 30 -14.938 17.864 3.543 1.00 0.51 H new ATOM 0 HB2 PHE B 30 -11.905 17.572 3.369 1.00 0.52 H new ATOM 0 HB3 PHE B 30 -12.750 18.483 2.133 1.00 0.52 H new ATOM 0 HD1 PHE B 30 -14.917 19.830 3.602 1.00 0.69 H new ATOM 0 HD2 PHE B 30 -10.850 19.109 4.778 1.00 0.66 H new ATOM 0 HE1 PHE B 30 -15.008 21.785 5.131 1.00 0.83 H new ATOM 0 HE2 PHE B 30 -10.943 21.056 6.309 1.00 0.80 H new ATOM 0 HZ PHE B 30 -13.021 22.398 6.479 1.00 0.85 H new ATOM 1429 N CYS B 31 -13.602 15.326 1.976 1.00 0.46 N ATOM 1430 CA CYS B 31 -13.782 14.455 0.785 1.00 0.45 C ATOM 1431 C CYS B 31 -15.256 14.385 0.382 1.00 0.46 C ATOM 1432 O CYS B 31 -15.582 14.247 -0.780 1.00 0.48 O ATOM 1433 CB CYS B 31 -13.281 13.079 1.224 1.00 0.46 C ATOM 1434 SG CYS B 31 -11.508 13.173 1.568 1.00 0.57 S ATOM 0 H CYS B 31 -12.907 14.998 2.647 1.00 0.46 H new ATOM 0 HA CYS B 31 -13.241 14.833 -0.082 1.00 0.45 H new ATOM 0 HB2 CYS B 31 -13.819 12.750 2.113 1.00 0.46 H new ATOM 0 HB3 CYS B 31 -13.474 12.343 0.444 1.00 0.46 H new ATOM 1439 N SER B 32 -16.147 14.490 1.329 1.00 0.48 N ATOM 1440 CA SER B 32 -17.600 14.441 0.990 1.00 0.51 C ATOM 1441 C SER B 32 -17.887 15.459 -0.113 1.00 0.51 C ATOM 1442 O SER B 32 -18.827 15.332 -0.873 1.00 0.56 O ATOM 1443 CB SER B 32 -18.317 14.835 2.281 1.00 0.55 C ATOM 1444 OG SER B 32 -17.957 13.924 3.313 1.00 0.61 O ATOM 0 H SER B 32 -15.935 14.607 2.320 1.00 0.48 H new ATOM 0 HA SER B 32 -17.923 13.463 0.632 1.00 0.51 H new ATOM 0 HB2 SER B 32 -18.046 15.852 2.566 1.00 0.55 H new ATOM 0 HB3 SER B 32 -19.396 14.824 2.130 1.00 0.55 H new ATOM 0 HG SER B 32 -18.413 14.174 4.144 1.00 0.61 H new ATOM 1450 N ILE B 33 -17.067 16.471 -0.192 1.00 0.49 N ATOM 1451 CA ILE B 33 -17.247 17.526 -1.230 1.00 0.51 C ATOM 1452 C ILE B 33 -15.959 17.679 -2.045 1.00 0.43 C ATOM 1453 O ILE B 33 -15.950 18.268 -3.109 1.00 0.45 O ATOM 1454 CB ILE B 33 -17.529 18.807 -0.444 1.00 0.57 C ATOM 1455 CG1 ILE B 33 -18.904 18.717 0.222 1.00 0.65 C ATOM 1456 CG2 ILE B 33 -17.503 20.007 -1.391 1.00 0.62 C ATOM 1457 CD1 ILE B 33 -18.910 19.589 1.477 1.00 0.75 C ATOM 0 H ILE B 33 -16.269 16.614 0.427 1.00 0.49 H new ATOM 0 HA ILE B 33 -18.049 17.289 -1.930 1.00 0.51 H new ATOM 0 HB ILE B 33 -16.764 18.930 0.323 1.00 0.57 H new ATOM 0 HG12 ILE B 33 -19.679 19.048 -0.469 1.00 0.65 H new ATOM 0 HG13 ILE B 33 -19.129 17.683 0.482 1.00 0.65 H new ATOM 0 HG21 ILE B 33 -17.704 20.919 -0.829 1.00 0.62 H new ATOM 0 HG22 ILE B 33 -16.522 20.079 -1.860 1.00 0.62 H new ATOM 0 HG23 ILE B 33 -18.264 19.880 -2.160 1.00 0.62 H new ATOM 0 HD11 ILE B 33 -19.887 19.530 1.957 1.00 0.75 H new ATOM 0 HD12 ILE B 33 -18.144 19.237 2.168 1.00 0.75 H new ATOM 0 HD13 ILE B 33 -18.703 20.623 1.202 1.00 0.75 H new ATOM 1469 N ARG B 34 -14.865 17.165 -1.546 1.00 0.39 N ATOM 1470 CA ARG B 34 -13.583 17.288 -2.262 1.00 0.32 C ATOM 1471 C ARG B 34 -13.045 15.904 -2.635 1.00 0.22 C ATOM 1472 O ARG B 34 -11.966 15.769 -3.179 1.00 0.27 O ATOM 1473 CB ARG B 34 -12.651 17.980 -1.268 1.00 0.38 C ATOM 1474 CG ARG B 34 -13.243 19.332 -0.862 1.00 0.48 C ATOM 1475 CD ARG B 34 -13.404 20.212 -2.103 1.00 0.53 C ATOM 1476 NE ARG B 34 -13.099 21.597 -1.642 1.00 0.60 N ATOM 1477 CZ ARG B 34 -14.064 22.380 -1.232 1.00 0.78 C ATOM 1478 NH1 ARG B 34 -14.632 22.166 -0.074 1.00 0.84 N ATOM 1479 NH2 ARG B 34 -14.461 23.377 -1.978 1.00 0.99 N ATOM 0 H ARG B 34 -14.816 16.661 -0.661 1.00 0.39 H new ATOM 0 HA ARG B 34 -13.678 17.846 -3.194 1.00 0.32 H new ATOM 0 HB2 ARG B 34 -12.513 17.353 -0.387 1.00 0.38 H new ATOM 0 HB3 ARG B 34 -11.667 18.122 -1.715 1.00 0.38 H new ATOM 0 HG2 ARG B 34 -14.209 19.187 -0.378 1.00 0.48 H new ATOM 0 HG3 ARG B 34 -12.593 19.823 -0.137 1.00 0.48 H new ATOM 0 HD2 ARG B 34 -12.724 19.902 -2.896 1.00 0.53 H new ATOM 0 HD3 ARG B 34 -14.415 20.144 -2.505 1.00 0.53 H new ATOM 0 HE ARG B 34 -12.137 21.935 -1.646 1.00 0.60 H new ATOM 0 HH11 ARG B 34 -14.323 21.389 0.510 1.00 0.84 H new ATOM 0 HH12 ARG B 34 -15.384 22.776 0.246 1.00 0.84 H new ATOM 0 HH21 ARG B 34 -14.019 23.546 -2.881 1.00 0.99 H new ATOM 0 HH22 ARG B 34 -15.213 23.986 -1.657 1.00 0.99 H new ATOM 1493 N GLY B 35 -13.796 14.876 -2.357 1.00 0.22 N ATOM 1494 CA GLY B 35 -13.345 13.500 -2.705 1.00 0.26 C ATOM 1495 C GLY B 35 -12.088 13.139 -1.911 1.00 0.22 C ATOM 1496 O GLY B 35 -11.533 13.960 -1.209 1.00 0.27 O ATOM 0 H GLY B 35 -14.707 14.930 -1.902 1.00 0.22 H new ATOM 0 HA2 GLY B 35 -14.138 12.784 -2.489 1.00 0.26 H new ATOM 0 HA3 GLY B 35 -13.140 13.436 -3.774 1.00 0.26 H new ATOM 1500 N PRO B 36 -11.686 11.906 -2.055 1.00 0.28 N ATOM 1501 CA PRO B 36 -10.485 11.404 -1.346 1.00 0.29 C ATOM 1502 C PRO B 36 -9.218 11.950 -2.006 1.00 0.27 C ATOM 1503 O PRO B 36 -9.255 12.472 -3.103 1.00 0.33 O ATOM 1504 CB PRO B 36 -10.575 9.892 -1.516 1.00 0.36 C ATOM 1505 CG PRO B 36 -11.383 9.688 -2.757 1.00 0.39 C ATOM 1506 CD PRO B 36 -12.308 10.870 -2.890 1.00 0.46 C ATOM 0 HA PRO B 36 -10.443 11.707 -0.300 1.00 0.29 H new ATOM 0 HB2 PRO B 36 -9.585 9.446 -1.612 1.00 0.36 H new ATOM 0 HB3 PRO B 36 -11.052 9.426 -0.654 1.00 0.36 H new ATOM 0 HG2 PRO B 36 -10.734 9.608 -3.629 1.00 0.39 H new ATOM 0 HG3 PRO B 36 -11.952 8.760 -2.697 1.00 0.39 H new ATOM 0 HD2 PRO B 36 -12.396 11.193 -3.927 1.00 0.46 H new ATOM 0 HD3 PRO B 36 -13.314 10.630 -2.545 1.00 0.46 H new ATOM 1514 N VAL B 37 -8.098 11.828 -1.356 1.00 0.25 N ATOM 1515 CA VAL B 37 -6.841 12.339 -1.961 1.00 0.29 C ATOM 1516 C VAL B 37 -5.832 11.211 -2.107 1.00 0.27 C ATOM 1517 O VAL B 37 -6.008 10.126 -1.591 1.00 0.29 O ATOM 1518 CB VAL B 37 -6.341 13.401 -0.990 1.00 0.35 C ATOM 1519 CG1 VAL B 37 -5.013 13.973 -1.491 1.00 0.49 C ATOM 1520 CG2 VAL B 37 -7.378 14.519 -0.902 1.00 0.45 C ATOM 0 H VAL B 37 -7.998 11.399 -0.436 1.00 0.25 H new ATOM 0 HA VAL B 37 -6.994 12.748 -2.960 1.00 0.29 H new ATOM 0 HB VAL B 37 -6.190 12.958 -0.006 1.00 0.35 H new ATOM 0 HG11 VAL B 37 -4.658 14.732 -0.794 1.00 0.49 H new ATOM 0 HG12 VAL B 37 -4.276 13.173 -1.562 1.00 0.49 H new ATOM 0 HG13 VAL B 37 -5.158 14.422 -2.474 1.00 0.49 H new ATOM 0 HG21 VAL B 37 -7.030 15.285 -0.209 1.00 0.45 H new ATOM 0 HG22 VAL B 37 -7.522 14.960 -1.888 1.00 0.45 H new ATOM 0 HG23 VAL B 37 -8.324 14.111 -0.546 1.00 0.45 H new ATOM 1530 N ILE B 38 -4.791 11.462 -2.835 1.00 0.30 N ATOM 1531 CA ILE B 38 -3.774 10.414 -3.061 1.00 0.30 C ATOM 1532 C ILE B 38 -2.404 11.062 -3.253 1.00 0.32 C ATOM 1533 O ILE B 38 -2.223 11.908 -4.104 1.00 0.39 O ATOM 1534 CB ILE B 38 -4.273 9.730 -4.330 1.00 0.34 C ATOM 1535 CG1 ILE B 38 -5.085 8.491 -3.946 1.00 0.38 C ATOM 1536 CG2 ILE B 38 -3.100 9.322 -5.229 1.00 0.37 C ATOM 1537 CD1 ILE B 38 -4.162 7.428 -3.337 1.00 0.47 C ATOM 0 H ILE B 38 -4.600 12.356 -3.287 1.00 0.30 H new ATOM 0 HA ILE B 38 -3.653 9.712 -2.236 1.00 0.30 H new ATOM 0 HB ILE B 38 -4.899 10.430 -4.884 1.00 0.34 H new ATOM 0 HG12 ILE B 38 -5.862 8.762 -3.232 1.00 0.38 H new ATOM 0 HG13 ILE B 38 -5.587 8.088 -4.826 1.00 0.38 H new ATOM 0 HG21 ILE B 38 -3.482 8.836 -6.127 1.00 0.37 H new ATOM 0 HG22 ILE B 38 -2.531 10.208 -5.510 1.00 0.37 H new ATOM 0 HG23 ILE B 38 -2.452 8.631 -4.690 1.00 0.37 H new ATOM 0 HD11 ILE B 38 -4.748 6.549 -3.066 1.00 0.47 H new ATOM 0 HD12 ILE B 38 -3.401 7.147 -4.065 1.00 0.47 H new ATOM 0 HD13 ILE B 38 -3.680 7.831 -2.446 1.00 0.47 H new ATOM 1549 N GLU B 39 -1.443 10.686 -2.463 1.00 0.30 N ATOM 1550 CA GLU B 39 -0.096 11.298 -2.605 1.00 0.31 C ATOM 1551 C GLU B 39 0.984 10.214 -2.667 1.00 0.30 C ATOM 1552 O GLU B 39 1.447 9.724 -1.657 1.00 0.32 O ATOM 1553 CB GLU B 39 0.065 12.156 -1.350 1.00 0.32 C ATOM 1554 CG GLU B 39 1.259 13.095 -1.520 1.00 0.40 C ATOM 1555 CD GLU B 39 1.453 13.908 -0.239 1.00 0.48 C ATOM 1556 OE1 GLU B 39 0.748 14.889 -0.069 1.00 0.55 O ATOM 1557 OE2 GLU B 39 2.303 13.536 0.554 1.00 0.55 O ATOM 0 H GLU B 39 -1.530 9.984 -1.728 1.00 0.30 H new ATOM 0 HA GLU B 39 0.004 11.881 -3.520 1.00 0.31 H new ATOM 0 HB2 GLU B 39 -0.842 12.734 -1.173 1.00 0.32 H new ATOM 0 HB3 GLU B 39 0.212 11.519 -0.478 1.00 0.32 H new ATOM 0 HG2 GLU B 39 2.159 12.521 -1.739 1.00 0.40 H new ATOM 0 HG3 GLU B 39 1.093 13.762 -2.366 1.00 0.40 H new ATOM 1564 N GLN B 40 1.398 9.841 -3.847 1.00 0.29 N ATOM 1565 CA GLN B 40 2.455 8.796 -3.969 1.00 0.32 C ATOM 1566 C GLN B 40 3.760 9.440 -4.447 1.00 0.28 C ATOM 1567 O GLN B 40 3.777 10.173 -5.415 1.00 0.40 O ATOM 1568 CB GLN B 40 1.927 7.809 -5.012 1.00 0.39 C ATOM 1569 CG GLN B 40 2.905 6.640 -5.152 1.00 0.51 C ATOM 1570 CD GLN B 40 2.122 5.356 -5.429 1.00 0.62 C ATOM 1571 OE1 GLN B 40 2.409 4.323 -4.862 1.00 0.73 O ATOM 1572 NE2 GLN B 40 1.136 5.382 -6.283 1.00 0.77 N ATOM 0 H GLN B 40 1.051 10.214 -4.731 1.00 0.29 H new ATOM 0 HA GLN B 40 2.665 8.301 -3.021 1.00 0.32 H new ATOM 0 HB2 GLN B 40 0.945 7.441 -4.715 1.00 0.39 H new ATOM 0 HB3 GLN B 40 1.803 8.310 -5.972 1.00 0.39 H new ATOM 0 HG2 GLN B 40 3.607 6.833 -5.963 1.00 0.51 H new ATOM 0 HG3 GLN B 40 3.493 6.532 -4.241 1.00 0.51 H new ATOM 0 HE21 GLN B 40 0.896 6.252 -6.759 1.00 0.77 H new ATOM 0 HE22 GLN B 40 0.605 4.533 -6.475 1.00 0.77 H new ATOM 1581 N GLY B 41 4.852 9.179 -3.780 1.00 0.24 N ATOM 1582 CA GLY B 41 6.141 9.787 -4.212 1.00 0.31 C ATOM 1583 C GLY B 41 7.245 9.448 -3.207 1.00 0.31 C ATOM 1584 O GLY B 41 7.315 8.347 -2.692 1.00 0.31 O ATOM 0 H GLY B 41 4.907 8.575 -2.960 1.00 0.24 H new ATOM 0 HA2 GLY B 41 6.413 9.418 -5.201 1.00 0.31 H new ATOM 0 HA3 GLY B 41 6.033 10.868 -4.294 1.00 0.31 H new ATOM 1588 N CYS B 42 8.113 10.385 -2.932 1.00 0.35 N ATOM 1589 CA CYS B 42 9.218 10.121 -1.968 1.00 0.37 C ATOM 1590 C CYS B 42 9.261 11.203 -0.882 1.00 0.39 C ATOM 1591 O CYS B 42 9.909 12.222 -1.031 1.00 0.46 O ATOM 1592 CB CYS B 42 10.488 10.166 -2.813 1.00 0.44 C ATOM 1593 SG CYS B 42 10.294 9.078 -4.240 1.00 0.50 S ATOM 0 H CYS B 42 8.104 11.322 -3.334 1.00 0.35 H new ATOM 0 HA CYS B 42 9.094 9.168 -1.453 1.00 0.37 H new ATOM 0 HB2 CYS B 42 10.683 11.186 -3.143 1.00 0.44 H new ATOM 0 HB3 CYS B 42 11.346 9.854 -2.217 1.00 0.44 H new ATOM 1598 N VAL B 43 8.587 10.986 0.212 1.00 0.38 N ATOM 1599 CA VAL B 43 8.600 11.998 1.309 1.00 0.40 C ATOM 1600 C VAL B 43 9.786 11.738 2.246 1.00 0.43 C ATOM 1601 O VAL B 43 10.854 12.295 2.083 1.00 0.49 O ATOM 1602 CB VAL B 43 7.270 11.797 2.032 1.00 0.43 C ATOM 1603 CG1 VAL B 43 7.283 12.536 3.368 1.00 0.51 C ATOM 1604 CG2 VAL B 43 6.139 12.341 1.157 1.00 0.52 C ATOM 0 H VAL B 43 8.028 10.153 0.396 1.00 0.38 H new ATOM 0 HA VAL B 43 8.711 13.019 0.945 1.00 0.40 H new ATOM 0 HB VAL B 43 7.117 10.734 2.218 1.00 0.43 H new ATOM 0 HG11 VAL B 43 6.330 12.386 3.876 1.00 0.51 H new ATOM 0 HG12 VAL B 43 8.090 12.149 3.990 1.00 0.51 H new ATOM 0 HG13 VAL B 43 7.438 13.601 3.193 1.00 0.51 H new ATOM 0 HG21 VAL B 43 5.186 12.201 1.666 1.00 0.52 H new ATOM 0 HG22 VAL B 43 6.300 13.403 0.973 1.00 0.52 H new ATOM 0 HG23 VAL B 43 6.125 11.807 0.207 1.00 0.52 H new ATOM 1614 N ALA B 44 9.611 10.890 3.222 1.00 0.42 N ATOM 1615 CA ALA B 44 10.730 10.591 4.161 1.00 0.47 C ATOM 1616 C ALA B 44 10.522 9.217 4.797 1.00 0.46 C ATOM 1617 O ALA B 44 11.265 8.289 4.544 1.00 0.54 O ATOM 1618 CB ALA B 44 10.667 11.694 5.216 1.00 0.54 C ATOM 0 H ALA B 44 8.742 10.391 3.410 1.00 0.42 H new ATOM 0 HA ALA B 44 11.699 10.566 3.663 1.00 0.47 H new ATOM 0 HB1 ALA B 44 11.462 11.544 5.947 1.00 0.54 H new ATOM 0 HB2 ALA B 44 10.794 12.664 4.736 1.00 0.54 H new ATOM 0 HB3 ALA B 44 9.701 11.661 5.719 1.00 0.54 H new ATOM 1624 N THR B 45 9.516 9.077 5.611 1.00 0.41 N ATOM 1625 CA THR B 45 9.253 7.759 6.257 1.00 0.41 C ATOM 1626 C THR B 45 7.767 7.397 6.127 1.00 0.38 C ATOM 1627 O THR B 45 6.900 8.242 6.240 1.00 0.40 O ATOM 1628 CB THR B 45 9.651 7.951 7.723 1.00 0.47 C ATOM 1629 OG1 THR B 45 11.036 8.261 7.793 1.00 0.52 O ATOM 1630 CG2 THR B 45 9.380 6.668 8.510 1.00 0.53 C ATOM 0 H THR B 45 8.862 9.819 5.859 1.00 0.41 H new ATOM 0 HA THR B 45 9.812 6.946 5.795 1.00 0.41 H new ATOM 0 HB THR B 45 9.065 8.764 8.152 1.00 0.47 H new ATOM 0 HG1 THR B 45 11.296 8.387 8.729 1.00 0.52 H new ATOM 0 HG21 THR B 45 9.666 6.813 9.552 1.00 0.53 H new ATOM 0 HG22 THR B 45 8.319 6.425 8.455 1.00 0.53 H new ATOM 0 HG23 THR B 45 9.962 5.850 8.085 1.00 0.53 H new ATOM 1638 N CYS B 46 7.473 6.146 5.889 1.00 0.34 N ATOM 1639 CA CYS B 46 6.047 5.714 5.745 1.00 0.32 C ATOM 1640 C CYS B 46 5.168 6.426 6.783 1.00 0.30 C ATOM 1641 O CYS B 46 5.559 6.589 7.919 1.00 0.36 O ATOM 1642 CB CYS B 46 6.077 4.207 6.013 1.00 0.33 C ATOM 1643 SG CYS B 46 4.541 3.438 5.427 1.00 0.37 S ATOM 0 H CYS B 46 8.161 5.400 5.787 1.00 0.34 H new ATOM 0 HA CYS B 46 5.634 5.954 4.765 1.00 0.32 H new ATOM 0 HB2 CYS B 46 6.933 3.757 5.510 1.00 0.33 H new ATOM 0 HB3 CYS B 46 6.201 4.022 7.080 1.00 0.33 H new ATOM 1648 N PRO B 47 4.000 6.819 6.354 1.00 0.28 N ATOM 1649 CA PRO B 47 3.056 7.516 7.257 1.00 0.27 C ATOM 1650 C PRO B 47 2.531 6.560 8.326 1.00 0.26 C ATOM 1651 O PRO B 47 2.829 5.382 8.319 1.00 0.30 O ATOM 1652 CB PRO B 47 1.930 7.964 6.329 1.00 0.34 C ATOM 1653 CG PRO B 47 1.997 7.024 5.173 1.00 0.34 C ATOM 1654 CD PRO B 47 3.447 6.650 5.005 1.00 0.31 C ATOM 0 HA PRO B 47 3.515 8.347 7.793 1.00 0.27 H new ATOM 0 HB2 PRO B 47 0.962 7.911 6.827 1.00 0.34 H new ATOM 0 HB3 PRO B 47 2.068 8.997 6.008 1.00 0.34 H new ATOM 0 HG2 PRO B 47 1.388 6.139 5.357 1.00 0.34 H new ATOM 0 HG3 PRO B 47 1.611 7.494 4.269 1.00 0.34 H new ATOM 0 HD2 PRO B 47 3.559 5.626 4.650 1.00 0.31 H new ATOM 0 HD3 PRO B 47 3.947 7.294 4.282 1.00 0.31 H new ATOM 1662 N GLN B 48 1.762 7.069 9.244 1.00 0.30 N ATOM 1663 CA GLN B 48 1.208 6.234 10.324 1.00 0.33 C ATOM 1664 C GLN B 48 0.263 5.190 9.742 1.00 0.37 C ATOM 1665 O GLN B 48 -0.921 5.190 10.007 1.00 0.49 O ATOM 1666 CB GLN B 48 0.453 7.214 11.215 1.00 0.36 C ATOM 1667 CG GLN B 48 0.327 6.646 12.627 1.00 0.43 C ATOM 1668 CD GLN B 48 -0.511 7.599 13.478 1.00 0.47 C ATOM 1669 OE1 GLN B 48 -1.662 7.327 13.767 1.00 0.75 O ATOM 1670 NE2 GLN B 48 0.019 8.714 13.895 1.00 0.65 N ATOM 0 H GLN B 48 1.492 8.052 9.286 1.00 0.30 H new ATOM 0 HA GLN B 48 1.975 5.690 10.875 1.00 0.33 H new ATOM 0 HB2 GLN B 48 0.977 8.170 11.244 1.00 0.36 H new ATOM 0 HB3 GLN B 48 -0.537 7.406 10.802 1.00 0.36 H new ATOM 0 HG2 GLN B 48 -0.139 5.661 12.596 1.00 0.43 H new ATOM 0 HG3 GLN B 48 1.315 6.517 13.070 1.00 0.43 H new ATOM 0 HE21 GLN B 48 0.983 8.942 13.653 1.00 0.65 H new ATOM 0 HE22 GLN B 48 -0.530 9.359 14.463 1.00 0.65 H new ATOM 1679 N PHE B 49 0.791 4.316 8.944 1.00 0.31 N ATOM 1680 CA PHE B 49 -0.048 3.258 8.313 1.00 0.34 C ATOM 1681 C PHE B 49 -1.102 2.761 9.300 1.00 0.37 C ATOM 1682 O PHE B 49 -0.788 2.216 10.339 1.00 0.51 O ATOM 1683 CB PHE B 49 0.933 2.141 7.958 1.00 0.36 C ATOM 1684 CG PHE B 49 1.204 2.168 6.475 1.00 0.28 C ATOM 1685 CD1 PHE B 49 1.268 3.389 5.796 1.00 0.27 C ATOM 1686 CD2 PHE B 49 1.381 0.970 5.776 1.00 0.27 C ATOM 1687 CE1 PHE B 49 1.509 3.410 4.418 1.00 0.26 C ATOM 1688 CE2 PHE B 49 1.621 0.992 4.400 1.00 0.28 C ATOM 1689 CZ PHE B 49 1.686 2.213 3.722 1.00 0.26 C ATOM 0 H PHE B 49 1.780 4.285 8.696 1.00 0.31 H new ATOM 0 HA PHE B 49 -0.586 3.620 7.437 1.00 0.34 H new ATOM 0 HB2 PHE B 49 1.863 2.269 8.512 1.00 0.36 H new ATOM 0 HB3 PHE B 49 0.521 1.174 8.246 1.00 0.36 H new ATOM 0 HD1 PHE B 49 1.131 4.315 6.335 1.00 0.27 H new ATOM 0 HD2 PHE B 49 1.332 0.027 6.300 1.00 0.27 H new ATOM 0 HE1 PHE B 49 1.558 4.352 3.893 1.00 0.26 H new ATOM 0 HE2 PHE B 49 1.756 0.066 3.860 1.00 0.28 H new ATOM 0 HZ PHE B 49 1.873 2.230 2.659 1.00 0.26 H new ATOM 1699 N ARG B 50 -2.352 2.959 8.986 1.00 0.28 N ATOM 1700 CA ARG B 50 -3.431 2.511 9.911 1.00 0.28 C ATOM 1701 C ARG B 50 -4.607 1.917 9.131 1.00 0.29 C ATOM 1702 O ARG B 50 -4.855 2.265 7.992 1.00 0.34 O ATOM 1703 CB ARG B 50 -3.859 3.778 10.644 1.00 0.30 C ATOM 1704 CG ARG B 50 -4.797 3.413 11.794 1.00 0.38 C ATOM 1705 CD ARG B 50 -4.968 4.625 12.711 1.00 0.41 C ATOM 1706 NE ARG B 50 -5.805 4.130 13.839 1.00 0.42 N ATOM 1707 CZ ARG B 50 -6.472 4.973 14.583 1.00 0.48 C ATOM 1708 NH1 ARG B 50 -6.289 6.258 14.443 1.00 0.63 N ATOM 1709 NH2 ARG B 50 -7.328 4.533 15.461 1.00 0.55 N ATOM 0 H ARG B 50 -2.673 3.411 8.130 1.00 0.28 H new ATOM 0 HA ARG B 50 -3.091 1.731 10.592 1.00 0.28 H new ATOM 0 HB2 ARG B 50 -2.983 4.302 11.028 1.00 0.30 H new ATOM 0 HB3 ARG B 50 -4.360 4.458 9.954 1.00 0.30 H new ATOM 0 HG2 ARG B 50 -5.765 3.099 11.403 1.00 0.38 H new ATOM 0 HG3 ARG B 50 -4.392 2.572 12.356 1.00 0.38 H new ATOM 0 HD2 ARG B 50 -4.005 4.993 13.064 1.00 0.41 H new ATOM 0 HD3 ARG B 50 -5.453 5.450 12.190 1.00 0.41 H new ATOM 0 HE ARG B 50 -5.858 3.130 14.032 1.00 0.42 H new ATOM 0 HH11 ARG B 50 -5.624 6.606 13.752 1.00 0.63 H new ATOM 0 HH12 ARG B 50 -6.811 6.914 15.025 1.00 0.63 H new ATOM 0 HH21 ARG B 50 -7.478 3.530 15.568 1.00 0.55 H new ATOM 0 HH22 ARG B 50 -7.848 5.192 16.041 1.00 0.55 H new ATOM 1723 N SER B 51 -5.325 1.017 9.742 1.00 0.26 N ATOM 1724 CA SER B 51 -6.486 0.383 9.055 1.00 0.30 C ATOM 1725 C SER B 51 -7.693 1.330 9.022 1.00 0.29 C ATOM 1726 O SER B 51 -8.773 0.948 8.616 1.00 0.37 O ATOM 1727 CB SER B 51 -6.808 -0.856 9.889 1.00 0.37 C ATOM 1728 OG SER B 51 -7.309 -0.454 11.157 1.00 0.40 O ATOM 0 H SER B 51 -5.157 0.691 10.694 1.00 0.26 H new ATOM 0 HA SER B 51 -6.256 0.139 8.018 1.00 0.30 H new ATOM 0 HB2 SER B 51 -7.544 -1.473 9.374 1.00 0.37 H new ATOM 0 HB3 SER B 51 -5.913 -1.465 10.016 1.00 0.37 H new ATOM 0 HG SER B 51 -7.518 -1.248 11.693 1.00 0.40 H new ATOM 1734 N ASN B 52 -7.531 2.557 9.440 1.00 0.27 N ATOM 1735 CA ASN B 52 -8.685 3.508 9.426 1.00 0.28 C ATOM 1736 C ASN B 52 -8.383 4.665 8.471 1.00 0.27 C ATOM 1737 O ASN B 52 -8.861 5.770 8.637 1.00 0.38 O ATOM 1738 CB ASN B 52 -8.804 4.013 10.871 1.00 0.31 C ATOM 1739 CG ASN B 52 -9.148 2.845 11.799 1.00 0.37 C ATOM 1740 OD1 ASN B 52 -10.076 2.103 11.547 1.00 0.44 O ATOM 1741 ND2 ASN B 52 -8.431 2.651 12.873 1.00 0.44 N ATOM 0 H ASN B 52 -6.654 2.943 9.790 1.00 0.27 H new ATOM 0 HA ASN B 52 -9.610 3.042 9.087 1.00 0.28 H new ATOM 0 HB2 ASN B 52 -7.867 4.475 11.183 1.00 0.31 H new ATOM 0 HB3 ASN B 52 -9.575 4.781 10.936 1.00 0.31 H new ATOM 0 HD21 ASN B 52 -8.650 1.877 13.500 1.00 0.44 H new ATOM 0 HD22 ASN B 52 -7.652 3.274 13.085 1.00 0.44 H new ATOM 1748 N TYR B 53 -7.587 4.404 7.470 1.00 0.23 N ATOM 1749 CA TYR B 53 -7.229 5.461 6.481 1.00 0.25 C ATOM 1750 C TYR B 53 -8.052 5.281 5.194 1.00 0.27 C ATOM 1751 O TYR B 53 -9.164 4.794 5.232 1.00 0.34 O ATOM 1752 CB TYR B 53 -5.735 5.237 6.232 1.00 0.28 C ATOM 1753 CG TYR B 53 -4.938 6.084 7.194 1.00 0.30 C ATOM 1754 CD1 TYR B 53 -5.338 6.199 8.532 1.00 0.44 C ATOM 1755 CD2 TYR B 53 -3.795 6.754 6.746 1.00 0.34 C ATOM 1756 CE1 TYR B 53 -4.593 6.985 9.417 1.00 0.53 C ATOM 1757 CE2 TYR B 53 -3.051 7.538 7.633 1.00 0.41 C ATOM 1758 CZ TYR B 53 -3.451 7.653 8.969 1.00 0.48 C ATOM 1759 OH TYR B 53 -2.717 8.425 9.842 1.00 0.60 O ATOM 0 H TYR B 53 -7.165 3.493 7.293 1.00 0.23 H new ATOM 0 HA TYR B 53 -7.438 6.472 6.831 1.00 0.25 H new ATOM 0 HB2 TYR B 53 -5.486 4.184 6.364 1.00 0.28 H new ATOM 0 HB3 TYR B 53 -5.482 5.498 5.204 1.00 0.28 H new ATOM 0 HD1 TYR B 53 -6.220 5.682 8.879 1.00 0.44 H new ATOM 0 HD2 TYR B 53 -3.487 6.666 5.715 1.00 0.34 H new ATOM 0 HE1 TYR B 53 -4.901 7.076 10.448 1.00 0.53 H new ATOM 0 HE2 TYR B 53 -2.168 8.055 7.287 1.00 0.41 H new ATOM 0 HH TYR B 53 -1.954 8.818 9.369 1.00 0.60 H new ATOM 1769 N ARG B 54 -7.527 5.676 4.059 1.00 0.28 N ATOM 1770 CA ARG B 54 -8.293 5.533 2.784 1.00 0.31 C ATOM 1771 C ARG B 54 -7.555 4.586 1.823 1.00 0.27 C ATOM 1772 O ARG B 54 -8.145 4.019 0.926 1.00 0.33 O ATOM 1773 CB ARG B 54 -8.342 6.955 2.210 1.00 0.36 C ATOM 1774 CG ARG B 54 -9.530 7.085 1.257 1.00 0.41 C ATOM 1775 CD ARG B 54 -10.334 8.345 1.595 1.00 0.52 C ATOM 1776 NE ARG B 54 -10.516 8.309 3.073 1.00 0.53 N ATOM 1777 CZ ARG B 54 -11.561 7.721 3.585 1.00 0.58 C ATOM 1778 NH1 ARG B 54 -12.764 8.106 3.241 1.00 0.69 N ATOM 1779 NH2 ARG B 54 -11.403 6.748 4.438 1.00 0.61 N ATOM 0 H ARG B 54 -6.600 6.091 3.962 1.00 0.28 H new ATOM 0 HA ARG B 54 -9.287 5.112 2.935 1.00 0.31 H new ATOM 0 HB2 ARG B 54 -8.431 7.681 3.018 1.00 0.36 H new ATOM 0 HB3 ARG B 54 -7.414 7.177 1.683 1.00 0.36 H new ATOM 0 HG2 ARG B 54 -9.177 7.134 0.227 1.00 0.41 H new ATOM 0 HG3 ARG B 54 -10.168 6.204 1.335 1.00 0.41 H new ATOM 0 HD2 ARG B 54 -9.803 9.245 1.286 1.00 0.52 H new ATOM 0 HD3 ARG B 54 -11.295 8.349 1.080 1.00 0.52 H new ATOM 0 HE ARG B 54 -9.824 8.744 3.684 1.00 0.53 H new ATOM 0 HH11 ARG B 54 -12.884 8.866 2.572 1.00 0.69 H new ATOM 0 HH12 ARG B 54 -13.581 7.645 3.642 1.00 0.69 H new ATOM 0 HH21 ARG B 54 -10.464 6.449 4.703 1.00 0.61 H new ATOM 0 HH22 ARG B 54 -12.218 6.285 4.841 1.00 0.61 H new ATOM 1793 N SER B 55 -6.274 4.403 2.022 1.00 0.23 N ATOM 1794 CA SER B 55 -5.476 3.483 1.145 1.00 0.23 C ATOM 1795 C SER B 55 -4.002 3.782 1.332 1.00 0.21 C ATOM 1796 O SER B 55 -3.558 4.899 1.165 1.00 0.24 O ATOM 1797 CB SER B 55 -5.913 3.763 -0.301 1.00 0.27 C ATOM 1798 OG SER B 55 -4.935 3.253 -1.199 1.00 0.28 O ATOM 0 H SER B 55 -5.738 4.856 2.763 1.00 0.23 H new ATOM 0 HA SER B 55 -5.641 2.434 1.392 1.00 0.23 H new ATOM 0 HB2 SER B 55 -6.879 3.298 -0.497 1.00 0.27 H new ATOM 0 HB3 SER B 55 -6.038 4.835 -0.453 1.00 0.27 H new ATOM 0 HG SER B 55 -5.214 3.430 -2.122 1.00 0.28 H new ATOM 1804 N LEU B 56 -3.239 2.796 1.698 1.00 0.22 N ATOM 1805 CA LEU B 56 -1.795 3.051 1.919 1.00 0.23 C ATOM 1806 C LEU B 56 -0.933 1.932 1.358 1.00 0.23 C ATOM 1807 O LEU B 56 -1.094 0.771 1.681 1.00 0.31 O ATOM 1808 CB LEU B 56 -1.648 3.128 3.429 1.00 0.24 C ATOM 1809 CG LEU B 56 -2.041 4.528 3.903 1.00 0.28 C ATOM 1810 CD1 LEU B 56 -2.214 4.534 5.423 1.00 0.31 C ATOM 1811 CD2 LEU B 56 -0.941 5.519 3.514 1.00 0.32 C ATOM 0 H LEU B 56 -3.548 1.836 1.852 1.00 0.22 H new ATOM 0 HA LEU B 56 -1.467 3.960 1.415 1.00 0.23 H new ATOM 0 HB2 LEU B 56 -2.280 2.379 3.906 1.00 0.24 H new ATOM 0 HB3 LEU B 56 -0.620 2.909 3.718 1.00 0.24 H new ATOM 0 HG LEU B 56 -2.982 4.816 3.434 1.00 0.28 H new ATOM 0 HD11 LEU B 56 -2.494 5.534 5.753 1.00 0.31 H new ATOM 0 HD12 LEU B 56 -2.995 3.827 5.703 1.00 0.31 H new ATOM 0 HD13 LEU B 56 -1.276 4.244 5.897 1.00 0.31 H new ATOM 0 HD21 LEU B 56 -1.217 6.519 3.850 1.00 0.32 H new ATOM 0 HD22 LEU B 56 -0.003 5.224 3.984 1.00 0.32 H new ATOM 0 HD23 LEU B 56 -0.819 5.521 2.431 1.00 0.32 H new ATOM 1823 N LEU B 57 0.004 2.295 0.532 1.00 0.23 N ATOM 1824 CA LEU B 57 0.922 1.293 -0.056 1.00 0.23 C ATOM 1825 C LEU B 57 2.358 1.735 0.197 1.00 0.25 C ATOM 1826 O LEU B 57 2.864 2.621 -0.462 1.00 0.33 O ATOM 1827 CB LEU B 57 0.603 1.306 -1.552 1.00 0.32 C ATOM 1828 CG LEU B 57 1.747 0.657 -2.327 1.00 0.30 C ATOM 1829 CD1 LEU B 57 1.180 -0.164 -3.484 1.00 0.44 C ATOM 1830 CD2 LEU B 57 2.665 1.751 -2.874 1.00 0.57 C ATOM 0 H LEU B 57 0.173 3.257 0.237 1.00 0.23 H new ATOM 0 HA LEU B 57 0.805 0.296 0.368 1.00 0.23 H new ATOM 0 HB2 LEU B 57 -0.327 0.770 -1.740 1.00 0.32 H new ATOM 0 HB3 LEU B 57 0.455 2.331 -1.893 1.00 0.32 H new ATOM 0 HG LEU B 57 2.313 0.001 -1.666 1.00 0.30 H new ATOM 0 HD11 LEU B 57 1.998 -0.627 -4.037 1.00 0.44 H new ATOM 0 HD12 LEU B 57 0.522 -0.940 -3.092 1.00 0.44 H new ATOM 0 HD13 LEU B 57 0.615 0.488 -4.150 1.00 0.44 H new ATOM 0 HD21 LEU B 57 3.485 1.294 -3.429 1.00 0.57 H new ATOM 0 HD22 LEU B 57 2.098 2.404 -3.537 1.00 0.57 H new ATOM 0 HD23 LEU B 57 3.068 2.335 -2.047 1.00 0.57 H new ATOM 1842 N CYS B 58 3.023 1.143 1.149 1.00 0.24 N ATOM 1843 CA CYS B 58 4.424 1.563 1.420 1.00 0.28 C ATOM 1844 C CYS B 58 5.401 0.529 0.884 1.00 0.31 C ATOM 1845 O CYS B 58 5.200 -0.673 1.013 1.00 0.34 O ATOM 1846 CB CYS B 58 4.566 1.667 2.939 1.00 0.30 C ATOM 1847 SG CYS B 58 4.709 3.415 3.411 1.00 0.36 S ATOM 0 H CYS B 58 2.663 0.397 1.744 1.00 0.24 H new ATOM 0 HA CYS B 58 4.643 2.513 0.933 1.00 0.28 H new ATOM 0 HB2 CYS B 58 3.703 1.216 3.428 1.00 0.30 H new ATOM 0 HB3 CYS B 58 5.445 1.115 3.272 1.00 0.30 H new ATOM 1852 N CYS B 59 6.470 1.001 0.308 1.00 0.35 N ATOM 1853 CA CYS B 59 7.502 0.082 -0.219 1.00 0.40 C ATOM 1854 C CYS B 59 8.796 0.369 0.530 1.00 0.45 C ATOM 1855 O CYS B 59 9.689 1.034 0.044 1.00 0.53 O ATOM 1856 CB CYS B 59 7.623 0.416 -1.706 1.00 0.43 C ATOM 1857 SG CYS B 59 9.070 -0.412 -2.409 1.00 0.48 S ATOM 0 H CYS B 59 6.670 1.993 0.181 1.00 0.35 H new ATOM 0 HA CYS B 59 7.264 -0.974 -0.091 1.00 0.40 H new ATOM 0 HB2 CYS B 59 6.722 0.101 -2.233 1.00 0.43 H new ATOM 0 HB3 CYS B 59 7.710 1.494 -1.839 1.00 0.43 H new ATOM 1862 N THR B 60 8.865 -0.106 1.738 1.00 0.43 N ATOM 1863 CA THR B 60 10.052 0.140 2.594 1.00 0.48 C ATOM 1864 C THR B 60 11.282 -0.598 2.047 1.00 0.55 C ATOM 1865 O THR B 60 12.378 -0.452 2.555 1.00 0.62 O ATOM 1866 CB THR B 60 9.619 -0.401 3.960 1.00 0.49 C ATOM 1867 OG1 THR B 60 9.541 -1.820 3.897 1.00 0.50 O ATOM 1868 CG2 THR B 60 8.232 0.171 4.313 1.00 0.51 C ATOM 0 H THR B 60 8.134 -0.666 2.176 1.00 0.43 H new ATOM 0 HA THR B 60 10.347 1.188 2.637 1.00 0.48 H new ATOM 0 HB THR B 60 10.342 -0.107 4.721 1.00 0.49 H new ATOM 0 HG1 THR B 60 9.266 -2.172 4.769 1.00 0.50 H new ATOM 0 HG21 THR B 60 7.918 -0.210 5.285 1.00 0.51 H new ATOM 0 HG22 THR B 60 8.286 1.259 4.350 1.00 0.51 H new ATOM 0 HG23 THR B 60 7.510 -0.131 3.554 1.00 0.51 H new ATOM 1876 N THR B 61 11.114 -1.376 1.009 1.00 0.51 N ATOM 1877 CA THR B 61 12.276 -2.113 0.427 1.00 0.54 C ATOM 1878 C THR B 61 12.493 -1.693 -1.030 1.00 0.53 C ATOM 1879 O THR B 61 11.779 -0.868 -1.563 1.00 0.55 O ATOM 1880 CB THR B 61 11.894 -3.592 0.504 1.00 0.61 C ATOM 1881 OG1 THR B 61 10.789 -3.843 -0.353 1.00 0.64 O ATOM 1882 CG2 THR B 61 11.524 -3.956 1.943 1.00 0.73 C ATOM 0 H THR B 61 10.222 -1.533 0.539 1.00 0.51 H new ATOM 0 HA THR B 61 13.203 -1.904 0.962 1.00 0.54 H new ATOM 0 HB THR B 61 12.742 -4.200 0.188 1.00 0.61 H new ATOM 0 HG1 THR B 61 10.411 -2.992 -0.657 1.00 0.64 H new ATOM 0 HG21 THR B 61 11.253 -5.010 1.993 1.00 0.73 H new ATOM 0 HG22 THR B 61 12.376 -3.769 2.596 1.00 0.73 H new ATOM 0 HG23 THR B 61 10.679 -3.348 2.266 1.00 0.73 H new ATOM 1890 N ASP B 62 13.486 -2.251 -1.670 1.00 0.54 N ATOM 1891 CA ASP B 62 13.765 -1.878 -3.090 1.00 0.53 C ATOM 1892 C ASP B 62 12.988 -2.772 -4.058 1.00 0.51 C ATOM 1893 O ASP B 62 12.866 -3.963 -3.857 1.00 0.54 O ATOM 1894 CB ASP B 62 15.262 -2.111 -3.271 1.00 0.62 C ATOM 1895 CG ASP B 62 16.036 -1.271 -2.259 1.00 0.77 C ATOM 1896 OD1 ASP B 62 15.401 -0.532 -1.524 1.00 0.78 O ATOM 1897 OD2 ASP B 62 17.247 -1.384 -2.234 1.00 0.94 O ATOM 0 H ASP B 62 14.116 -2.948 -1.273 1.00 0.54 H new ATOM 0 HA ASP B 62 13.467 -0.850 -3.297 1.00 0.53 H new ATOM 0 HB2 ASP B 62 15.495 -3.167 -3.136 1.00 0.62 H new ATOM 0 HB3 ASP B 62 15.562 -1.845 -4.285 1.00 0.62 H new ATOM 1902 N ASN B 63 12.482 -2.206 -5.120 1.00 0.51 N ATOM 1903 CA ASN B 63 11.735 -3.021 -6.114 1.00 0.51 C ATOM 1904 C ASN B 63 10.711 -3.904 -5.403 1.00 0.48 C ATOM 1905 O ASN B 63 10.662 -5.101 -5.606 1.00 0.56 O ATOM 1906 CB ASN B 63 12.802 -3.880 -6.791 1.00 0.63 C ATOM 1907 CG ASN B 63 12.335 -4.273 -8.194 1.00 0.75 C ATOM 1908 OD1 ASN B 63 11.524 -5.166 -8.349 1.00 0.74 O ATOM 1909 ND2 ASN B 63 12.813 -3.638 -9.232 1.00 0.95 N ATOM 0 H ASN B 63 12.555 -1.213 -5.340 1.00 0.51 H new ATOM 0 HA ASN B 63 11.186 -2.408 -6.829 1.00 0.51 H new ATOM 0 HB2 ASN B 63 13.741 -3.330 -6.851 1.00 0.63 H new ATOM 0 HB3 ASN B 63 12.993 -4.774 -6.197 1.00 0.63 H new ATOM 0 HD21 ASN B 63 12.506 -3.892 -10.171 1.00 0.95 H new ATOM 0 HD22 ASN B 63 13.493 -2.889 -9.103 1.00 0.95 H new ATOM 1916 N CYS B 64 9.892 -3.327 -4.570 1.00 0.45 N ATOM 1917 CA CYS B 64 8.877 -4.145 -3.853 1.00 0.49 C ATOM 1918 C CYS B 64 8.097 -5.013 -4.844 1.00 0.51 C ATOM 1919 O CYS B 64 7.590 -6.061 -4.495 1.00 0.65 O ATOM 1920 CB CYS B 64 7.963 -3.127 -3.164 1.00 0.52 C ATOM 1921 SG CYS B 64 8.877 -2.332 -1.818 1.00 0.59 S ATOM 0 H CYS B 64 9.881 -2.330 -4.356 1.00 0.45 H new ATOM 0 HA CYS B 64 9.326 -4.830 -3.134 1.00 0.49 H new ATOM 0 HB2 CYS B 64 7.623 -2.380 -3.881 1.00 0.52 H new ATOM 0 HB3 CYS B 64 7.074 -3.622 -2.774 1.00 0.52 H new ATOM 1926 N ASN B 65 7.997 -4.598 -6.074 1.00 0.52 N ATOM 1927 CA ASN B 65 7.247 -5.421 -7.065 1.00 0.55 C ATOM 1928 C ASN B 65 7.454 -4.887 -8.487 1.00 0.58 C ATOM 1929 O ASN B 65 8.111 -3.888 -8.695 1.00 0.81 O ATOM 1930 CB ASN B 65 5.787 -5.287 -6.647 1.00 0.72 C ATOM 1931 CG ASN B 65 5.302 -3.865 -6.935 1.00 0.84 C ATOM 1932 OD1 ASN B 65 6.049 -3.039 -7.423 1.00 0.88 O ATOM 1933 ND2 ASN B 65 4.073 -3.540 -6.648 1.00 1.01 N ATOM 0 H ASN B 65 8.398 -3.733 -6.436 1.00 0.52 H new ATOM 0 HA ASN B 65 7.582 -6.458 -7.077 1.00 0.55 H new ATOM 0 HB2 ASN B 65 5.175 -6.008 -7.189 1.00 0.72 H new ATOM 0 HB3 ASN B 65 5.679 -5.511 -5.586 1.00 0.72 H new ATOM 0 HD21 ASN B 65 3.739 -2.594 -6.833 1.00 1.01 H new ATOM 0 HD22 ASN B 65 3.445 -4.232 -6.239 1.00 1.01 H new ATOM 1940 N HIS B 66 6.874 -5.538 -9.462 1.00 0.49 N ATOM 1941 CA HIS B 66 7.005 -5.073 -10.859 1.00 0.62 C ATOM 1942 C HIS B 66 5.896 -5.675 -11.727 1.00 0.72 C ATOM 1943 O HIS B 66 5.995 -6.847 -12.048 1.00 0.86 O ATOM 1944 CB HIS B 66 8.378 -5.548 -11.335 1.00 0.59 C ATOM 1945 CG HIS B 66 8.757 -4.792 -12.584 1.00 0.64 C ATOM 1946 ND1 HIS B 66 7.973 -3.763 -13.084 1.00 0.67 N ATOM 1947 CD2 HIS B 66 9.824 -4.902 -13.446 1.00 0.68 C ATOM 1948 CE1 HIS B 66 8.572 -3.298 -14.196 1.00 0.71 C ATOM 1949 NE2 HIS B 66 9.702 -3.956 -14.462 1.00 0.71 N ATOM 1950 OXT HIS B 66 4.969 -4.954 -12.058 1.00 0.70 O ATOM 0 H HIS B 66 6.311 -6.380 -9.340 1.00 0.49 H new ATOM 0 HA HIS B 66 6.914 -3.989 -10.930 1.00 0.62 H new ATOM 0 HB2 HIS B 66 9.123 -5.385 -10.556 1.00 0.59 H new ATOM 0 HB3 HIS B 66 8.356 -6.619 -11.536 1.00 0.59 H new ATOM 0 HD2 HIS B 66 10.632 -5.612 -13.350 1.00 0.68 H new ATOM 0 HE1 HIS B 66 8.185 -2.490 -14.800 1.00 0.71 H new ATOM 0 HE2 HIS B 66 10.340 -3.800 -15.242 1.00 0.71 H new TER 1958 HIS B 66