USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -150:sc= -0.824! (180deg=-4.06!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.353 F(o=-6.7!,f=-0.47) USER MOD Set 2.1: A 3 CYS SG : rot -100:sc= -12.5! USER MOD Set 2.2: A 16 CYS SG : rot 116:sc= -5.56! USER MOD Set 2.3: A 23 CYS SG : rot -87:sc= -12.5! USER MOD Set 2.4: A 44 CYS SG : rot -74:sc= -12.9! USER MOD Set 2.5: A 60 CYS SG : rot -39:sc= -21.2! USER MOD Set 2.6: A 62 THR OG1 : rot 55:sc= -1.7! USER MOD Set 2.7: A 65 CYS SG : rot 17:sc= -26.9! USER MOD Set 2.8: A 66 ASN : amide:sc= -11.4! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -43:sc= 0.34! USER MOD Set 3.2: A 59 CYS SG : rot 131:sc= -9.16! USER MOD Set 4.1: A 29 CYS SG : rot -124:sc= -3.94! USER MOD Set 4.2: A 33 CYS SG : rot -57:sc= 1.57! USER MOD Set 5.1: A 5 THR OG1 : rot -25:sc= 1.28! USER MOD Set 5.2: A 8 THR OG1 : rot 78:sc= -1.34 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.05 USER MOD Single : A 1 ILE N :NH3+ -121:sc= -0.183 (180deg=-0.54) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12.1! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -2.7 USER MOD Single : A 12 SER OG : rot 180:sc= -0.603 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.99 F(o=-5.6!,f=-2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 139:sc= -1.26 (180deg=-1.74!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 91:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -1.01 (180deg=-1.43) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 76:sc= -0.0664 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.765 (180deg=-0.929) USER MOD Single : A 68 HIS : no HE2:sc= -37.6! C(o=-38!,f=-44!) USER MOD Single : B 1 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.091) USER MOD Single : B 1 HIS N :NH3+ -171:sc= -14.4! (180deg=-15!) USER MOD Single : B 3 TYR OH : rot 58:sc= 0.202 USER MOD Single : B 4 TYR OH : rot -115:sc= -0.323 USER MOD Single : B 6 SER OG : rot -5:sc= -1.5! USER MOD Single : B 7 SER OG : rot 60:sc= -10.8! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -6.063 6.537 12.287 1.00 0.00 N ATOM 2 CA ILE A 1 -6.618 6.683 10.952 1.00 0.00 C ATOM 3 C ILE A 1 -6.908 5.298 10.371 1.00 0.00 C ATOM 4 O ILE A 1 -6.869 4.300 11.088 1.00 0.00 O ATOM 5 CB ILE A 1 -5.695 7.535 10.078 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.327 6.868 9.912 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.576 8.957 10.629 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.552 7.490 8.749 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.671 7.030 12.972 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.012 5.528 12.533 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.108 6.948 12.313 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.567 7.219 10.990 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.139 7.611 9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.753 6.972 10.833 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.458 5.800 9.737 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.914 9.541 9.989 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.562 9.422 10.652 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.167 8.923 11.639 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.584 6.998 8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.117 7.363 7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.402 8.553 8.939 1.00 0.00 H new ATOM 20 N VAL A 2 -7.194 5.281 9.078 1.00 0.00 N ATOM 21 CA VAL A 2 -7.492 4.035 8.392 1.00 0.00 C ATOM 22 C VAL A 2 -6.583 3.902 7.168 1.00 0.00 C ATOM 23 O VAL A 2 -6.096 4.901 6.641 1.00 0.00 O ATOM 24 CB VAL A 2 -8.980 3.973 8.042 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.403 2.540 7.708 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.832 4.548 9.174 1.00 0.00 C ATOM 0 H VAL A 2 -7.226 6.111 8.486 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.289 3.183 9.041 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.144 4.586 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.465 2.522 7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.827 2.180 6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.218 1.896 8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.886 4.492 8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.663 3.974 10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.556 5.589 9.345 1.00 0.00 H new ATOM 36 N CYS A 3 -6.384 2.661 6.751 1.00 0.00 N ATOM 37 CA CYS A 3 -5.542 2.383 5.599 1.00 0.00 C ATOM 38 C CYS A 3 -6.127 1.182 4.855 1.00 0.00 C ATOM 39 O CYS A 3 -6.731 0.301 5.467 1.00 0.00 O ATOM 40 CB CYS A 3 -4.086 2.149 6.005 1.00 0.00 C ATOM 41 SG CYS A 3 -3.682 3.142 7.488 1.00 0.00 S ATOM 0 H CYS A 3 -6.791 1.835 7.190 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.531 3.249 4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.923 1.091 6.210 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.423 2.421 5.184 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.048 4.219 7.130 1.00 0.00 H new ATOM 47 N HIS A 4 -5.930 1.183 3.545 1.00 0.00 N ATOM 48 CA HIS A 4 -6.430 0.105 2.711 1.00 0.00 C ATOM 49 C HIS A 4 -5.433 -1.056 2.720 1.00 0.00 C ATOM 50 O HIS A 4 -4.226 -0.842 2.795 1.00 0.00 O ATOM 51 CB HIS A 4 -6.740 0.608 1.299 1.00 0.00 C ATOM 52 CG HIS A 4 -7.389 1.971 1.263 1.00 0.00 C ATOM 53 ND1 HIS A 4 -6.949 3.153 0.741 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.636 2.224 1.807 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.878 4.076 0.955 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.924 3.503 1.616 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.430 1.915 3.040 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.371 -0.266 3.117 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.814 0.642 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.396 -0.109 0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.267 1.502 2.303 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.816 5.112 0.655 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.778 3.976 1.911 1.00 0.00 H new ATOM 65 N THR A 5 -5.979 -2.262 2.642 1.00 0.00 N ATOM 66 CA THR A 5 -5.153 -3.457 2.642 1.00 0.00 C ATOM 67 C THR A 5 -5.224 -4.155 1.283 1.00 0.00 C ATOM 68 O THR A 5 -6.283 -4.636 0.882 1.00 0.00 O ATOM 69 CB THR A 5 -5.605 -4.345 3.804 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.629 -5.159 3.241 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.318 -3.554 4.902 1.00 0.00 C ATOM 0 H THR A 5 -6.982 -2.436 2.578 1.00 0.00 H new ATOM 0 HA THR A 5 -4.102 -3.210 2.791 1.00 0.00 H new ATOM 0 HB THR A 5 -4.740 -4.856 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.033 -4.695 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.618 -4.231 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.643 -2.797 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.202 -3.070 4.486 1.00 0.00 H new ATOM 79 N THR A 6 -4.085 -4.186 0.608 1.00 0.00 N ATOM 80 CA THR A 6 -4.004 -4.816 -0.699 1.00 0.00 C ATOM 81 C THR A 6 -3.333 -6.186 -0.590 1.00 0.00 C ATOM 82 O THR A 6 -3.466 -7.020 -1.485 1.00 0.00 O ATOM 83 CB THR A 6 -3.277 -3.856 -1.642 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.851 -2.792 -0.795 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.224 -3.183 -2.637 1.00 0.00 C ATOM 0 H THR A 6 -3.209 -3.784 0.942 1.00 0.00 H new ATOM 0 HA THR A 6 -4.996 -5.007 -1.108 1.00 0.00 H new ATOM 0 HB THR A 6 -2.504 -4.399 -2.186 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.619 -2.227 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.657 -2.512 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.713 -3.944 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.977 -2.613 -2.094 1.00 0.00 H new ATOM 93 N ALA A 7 -2.625 -6.377 0.513 1.00 0.00 N ATOM 94 CA ALA A 7 -1.932 -7.632 0.750 1.00 0.00 C ATOM 95 C ALA A 7 -2.912 -8.648 1.343 1.00 0.00 C ATOM 96 O ALA A 7 -3.012 -9.773 0.860 1.00 0.00 O ATOM 97 CB ALA A 7 -0.726 -7.386 1.659 1.00 0.00 C ATOM 0 H ALA A 7 -2.516 -5.683 1.253 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.556 -8.045 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.206 -8.327 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.047 -6.681 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.065 -6.974 2.609 1.00 0.00 H new ATOM 103 N THR A 8 -3.609 -8.211 2.382 1.00 0.00 N ATOM 104 CA THR A 8 -4.577 -9.067 3.045 1.00 0.00 C ATOM 105 C THR A 8 -5.830 -9.226 2.182 1.00 0.00 C ATOM 106 O THR A 8 -5.820 -9.965 1.198 1.00 0.00 O ATOM 107 CB THR A 8 -4.862 -8.475 4.427 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.733 -7.068 4.235 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.772 -8.814 5.446 1.00 0.00 C ATOM 0 H THR A 8 -3.522 -7.276 2.780 1.00 0.00 H new ATOM 0 HA THR A 8 -4.185 -10.075 3.181 1.00 0.00 H new ATOM 0 HB THR A 8 -5.823 -8.842 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.541 -6.722 3.802 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.023 -8.370 6.409 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.698 -9.896 5.554 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.817 -8.418 5.102 1.00 0.00 H new ATOM 117 N SER A 9 -6.878 -8.521 2.581 1.00 0.00 N ATOM 118 CA SER A 9 -8.135 -8.575 1.856 1.00 0.00 C ATOM 119 C SER A 9 -7.951 -8.018 0.444 1.00 0.00 C ATOM 120 O SER A 9 -6.826 -7.925 -0.049 1.00 0.00 O ATOM 121 CB SER A 9 -9.230 -7.799 2.593 1.00 0.00 C ATOM 122 OG SER A 9 -8.966 -7.700 3.989 1.00 0.00 O ATOM 0 H SER A 9 -6.882 -7.909 3.397 1.00 0.00 H new ATOM 0 HA SER A 9 -8.446 -9.618 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.314 -6.799 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.190 -8.292 2.440 1.00 0.00 H new ATOM 0 HG SER A 9 -9.686 -7.197 4.423 1.00 0.00 H new ATOM 128 N PRO A 10 -9.099 -7.653 -0.186 1.00 0.00 N ATOM 129 CA PRO A 10 -9.073 -7.107 -1.533 1.00 0.00 C ATOM 130 C PRO A 10 -8.575 -5.660 -1.530 1.00 0.00 C ATOM 131 O PRO A 10 -7.620 -5.327 -2.230 1.00 0.00 O ATOM 132 CB PRO A 10 -10.500 -7.242 -2.038 1.00 0.00 C ATOM 133 CG PRO A 10 -11.365 -7.426 -0.802 1.00 0.00 C ATOM 134 CD PRO A 10 -10.447 -7.748 0.365 1.00 0.00 C ATOM 0 HA PRO A 10 -8.380 -7.635 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.802 -6.356 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.597 -8.093 -2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.938 -6.521 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.084 -8.231 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.589 -7.046 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.644 -8.745 0.760 1.00 0.00 H new ATOM 142 N ILE A 11 -9.243 -4.840 -0.733 1.00 0.00 N ATOM 143 CA ILE A 11 -8.879 -3.436 -0.628 1.00 0.00 C ATOM 144 C ILE A 11 -10.003 -2.675 0.079 1.00 0.00 C ATOM 145 O ILE A 11 -11.032 -2.378 -0.525 1.00 0.00 O ATOM 146 CB ILE A 11 -8.526 -2.871 -2.006 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.025 -2.596 -2.116 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.361 -1.628 -2.320 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.663 -2.080 -3.511 1.00 0.00 C ATOM 0 H ILE A 11 -10.034 -5.120 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.982 -3.318 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.773 -3.622 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.730 -1.863 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.468 -3.509 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.090 -1.247 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.419 -1.889 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.169 -0.862 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.591 -1.892 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.937 -2.826 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.203 -1.154 -3.708 1.00 0.00 H new ATOM 161 N SER A 12 -9.764 -2.379 1.348 1.00 0.00 N ATOM 162 CA SER A 12 -10.742 -1.658 2.145 1.00 0.00 C ATOM 163 C SER A 12 -10.041 -0.896 3.270 1.00 0.00 C ATOM 164 O SER A 12 -9.114 -1.414 3.891 1.00 0.00 O ATOM 165 CB SER A 12 -11.793 -2.609 2.722 1.00 0.00 C ATOM 166 OG SER A 12 -11.268 -3.405 3.780 1.00 0.00 O ATOM 0 H SER A 12 -8.907 -2.625 1.844 1.00 0.00 H new ATOM 0 HA SER A 12 -11.253 -0.946 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.642 -2.032 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.168 -3.259 1.931 1.00 0.00 H new ATOM 0 HG SER A 12 -11.969 -3.997 4.123 1.00 0.00 H new ATOM 172 N ALA A 13 -10.510 0.321 3.501 1.00 0.00 N ATOM 173 CA ALA A 13 -9.940 1.159 4.540 1.00 0.00 C ATOM 174 C ALA A 13 -10.447 0.688 5.906 1.00 0.00 C ATOM 175 O ALA A 13 -11.569 1.003 6.298 1.00 0.00 O ATOM 176 CB ALA A 13 -10.286 2.624 4.265 1.00 0.00 C ATOM 0 H ALA A 13 -11.280 0.747 2.985 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.853 1.076 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.857 3.252 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.879 2.919 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.369 2.746 4.255 1.00 0.00 H new ATOM 182 N VAL A 14 -9.593 -0.059 6.592 1.00 0.00 N ATOM 183 CA VAL A 14 -9.941 -0.577 7.904 1.00 0.00 C ATOM 184 C VAL A 14 -8.828 -0.233 8.896 1.00 0.00 C ATOM 185 O VAL A 14 -7.660 -0.533 8.650 1.00 0.00 O ATOM 186 CB VAL A 14 -10.220 -2.079 7.815 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.773 -2.454 6.439 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.965 -2.890 8.143 1.00 0.00 C ATOM 0 H VAL A 14 -8.662 -0.317 6.264 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.856 -0.110 8.269 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.979 -2.323 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.962 -3.527 6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.704 -1.915 6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.047 -2.188 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.191 -3.954 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.174 -2.639 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.634 -2.656 9.155 1.00 0.00 H new ATOM 198 N THR A 15 -9.228 0.390 9.993 1.00 0.00 N ATOM 199 CA THR A 15 -8.278 0.778 11.022 1.00 0.00 C ATOM 200 C THR A 15 -7.348 -0.389 11.357 1.00 0.00 C ATOM 201 O THR A 15 -7.775 -1.542 11.381 1.00 0.00 O ATOM 202 CB THR A 15 -9.070 1.288 12.228 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.051 2.151 11.659 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.241 2.207 13.127 1.00 0.00 C ATOM 0 H THR A 15 -10.197 0.636 10.193 1.00 0.00 H new ATOM 0 HA THR A 15 -7.628 1.582 10.677 1.00 0.00 H new ATOM 0 HB THR A 15 -9.430 0.440 12.810 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.611 2.525 12.371 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.850 2.540 13.967 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.373 1.664 13.501 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.908 3.073 12.554 1.00 0.00 H new ATOM 212 N CYS A 16 -6.090 -0.049 11.604 1.00 0.00 N ATOM 213 CA CYS A 16 -5.095 -1.055 11.935 1.00 0.00 C ATOM 214 C CYS A 16 -4.950 -1.105 13.457 1.00 0.00 C ATOM 215 O CYS A 16 -5.611 -0.353 14.172 1.00 0.00 O ATOM 216 CB CYS A 16 -3.758 -0.777 11.243 1.00 0.00 C ATOM 217 SG CYS A 16 -3.340 -2.154 10.115 1.00 0.00 S ATOM 0 H CYS A 16 -5.738 0.908 11.581 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.423 -2.028 11.570 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.816 0.157 10.684 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.972 -0.655 11.988 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.322 -1.721 8.889 1.00 0.00 H new ATOM 223 N PRO A 17 -4.060 -2.023 13.920 1.00 0.00 N ATOM 224 CA PRO A 17 -3.820 -2.180 15.345 1.00 0.00 C ATOM 225 C PRO A 17 -2.971 -1.031 15.888 1.00 0.00 C ATOM 226 O PRO A 17 -2.675 -0.078 15.168 1.00 0.00 O ATOM 227 CB PRO A 17 -3.144 -3.535 15.481 1.00 0.00 C ATOM 228 CG PRO A 17 -2.612 -3.876 14.100 1.00 0.00 C ATOM 229 CD PRO A 17 -3.260 -2.931 13.102 1.00 0.00 C ATOM 0 HA PRO A 17 -4.737 -2.145 15.933 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.336 -3.497 16.212 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.850 -4.291 15.825 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.527 -3.773 14.073 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.841 -4.912 13.848 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.511 -2.389 12.525 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.881 -3.473 12.388 1.00 0.00 H new ATOM 237 N PRO A 18 -2.593 -1.160 17.188 1.00 0.00 N ATOM 238 CA PRO A 18 -1.783 -0.144 17.837 1.00 0.00 C ATOM 239 C PRO A 18 -0.328 -0.219 17.370 1.00 0.00 C ATOM 240 O PRO A 18 0.362 -1.202 17.635 1.00 0.00 O ATOM 241 CB PRO A 18 -1.942 -0.404 19.327 1.00 0.00 C ATOM 242 CG PRO A 18 -2.456 -1.829 19.446 1.00 0.00 C ATOM 243 CD PRO A 18 -2.923 -2.276 18.072 1.00 0.00 C ATOM 0 HA PRO A 18 -2.101 0.868 17.586 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.992 -0.286 19.848 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.641 0.302 19.775 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.670 -2.488 19.814 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.276 -1.880 20.162 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.419 -3.191 17.760 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.993 -2.484 18.065 1.00 0.00 H new ATOM 251 N GLY A 19 0.096 0.832 16.684 1.00 0.00 N ATOM 252 CA GLY A 19 1.457 0.896 16.177 1.00 0.00 C ATOM 253 C GLY A 19 1.538 1.794 14.940 1.00 0.00 C ATOM 254 O GLY A 19 2.304 2.757 14.918 1.00 0.00 O ATOM 0 H GLY A 19 -0.479 1.646 16.467 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.121 1.278 16.953 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.804 -0.107 15.927 1.00 0.00 H new ATOM 258 N GLU A 20 0.740 1.447 13.941 1.00 0.00 N ATOM 259 CA GLU A 20 0.715 2.209 12.706 1.00 0.00 C ATOM 260 C GLU A 20 0.152 3.608 12.957 1.00 0.00 C ATOM 261 O GLU A 20 -1.056 3.777 13.123 1.00 0.00 O ATOM 262 CB GLU A 20 -0.091 1.480 11.629 1.00 0.00 C ATOM 263 CG GLU A 20 0.501 0.099 11.340 1.00 0.00 C ATOM 264 CD GLU A 20 -0.077 -0.955 12.287 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.104 -2.160 12.058 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.735 -0.483 13.290 1.00 0.00 O ATOM 0 H GLU A 20 0.106 0.648 13.962 1.00 0.00 H new ATOM 0 HA GLU A 20 1.738 2.310 12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.126 1.375 11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.102 2.073 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.292 -0.181 10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.585 0.134 11.448 1.00 0.00 H new ATOM 274 N ASN A 21 1.054 4.580 12.977 1.00 0.00 N ATOM 275 CA ASN A 21 0.662 5.960 13.206 1.00 0.00 C ATOM 276 C ASN A 21 0.224 6.588 11.882 1.00 0.00 C ATOM 277 O ASN A 21 -0.041 7.787 11.816 1.00 0.00 O ATOM 278 CB ASN A 21 1.832 6.780 13.753 1.00 0.00 C ATOM 279 CG ASN A 21 2.558 6.024 14.868 1.00 0.00 C ATOM 280 OD1 ASN A 21 1.831 5.063 15.432 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.702 6.295 15.194 1.00 0.00 N flip ATOM 0 H ASN A 21 2.055 4.438 12.838 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.152 5.964 13.931 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.531 7.006 12.947 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.466 7.733 14.134 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.203 7.046 14.719 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.157 5.771 15.941 1.00 0.00 H new ATOM 288 N LEU A 22 0.161 5.749 10.857 1.00 0.00 N ATOM 289 CA LEU A 22 -0.239 6.207 9.539 1.00 0.00 C ATOM 290 C LEU A 22 -0.375 5.002 8.604 1.00 0.00 C ATOM 291 O LEU A 22 -0.309 3.858 9.049 1.00 0.00 O ATOM 292 CB LEU A 22 0.727 7.278 9.026 1.00 0.00 C ATOM 293 CG LEU A 22 2.134 6.795 8.672 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.423 6.991 7.182 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.186 7.474 9.552 1.00 0.00 C ATOM 0 H LEU A 22 0.381 4.755 10.914 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.216 6.688 9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.289 7.740 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.811 8.057 9.784 1.00 0.00 H new ATOM 0 HG LEU A 22 2.187 5.725 8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.430 6.639 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.701 6.424 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.344 8.049 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.177 7.112 9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.141 8.553 9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.990 7.241 10.599 1.00 0.00 H new ATOM 307 N CYS A 23 -0.561 5.303 7.327 1.00 0.00 N ATOM 308 CA CYS A 23 -0.706 4.259 6.327 1.00 0.00 C ATOM 309 C CYS A 23 0.610 4.146 5.554 1.00 0.00 C ATOM 310 O CYS A 23 1.615 4.740 5.943 1.00 0.00 O ATOM 311 CB CYS A 23 -1.891 4.526 5.398 1.00 0.00 C ATOM 312 SG CYS A 23 -3.223 5.386 6.314 1.00 0.00 S ATOM 0 H CYS A 23 -0.615 6.254 6.962 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.920 3.310 6.819 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.570 5.133 4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.265 3.586 4.993 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.989 4.509 6.891 1.00 0.00 H new ATOM 318 N TYR A 24 0.561 3.381 4.474 1.00 0.00 N ATOM 319 CA TYR A 24 1.738 3.184 3.644 1.00 0.00 C ATOM 320 C TYR A 24 1.368 2.506 2.323 1.00 0.00 C ATOM 321 O TYR A 24 0.260 1.995 2.171 1.00 0.00 O ATOM 322 CB TYR A 24 2.663 2.260 4.437 1.00 0.00 C ATOM 323 CG TYR A 24 2.256 0.785 4.394 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.745 -0.037 3.398 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.400 0.278 5.349 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.361 -1.424 3.359 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.016 -1.110 5.310 1.00 0.00 C ATOM 328 CZ TYR A 24 1.516 -1.893 4.315 1.00 0.00 C ATOM 329 OH TYR A 24 1.154 -3.203 4.278 1.00 0.00 O ATOM 0 H TYR A 24 -0.274 2.890 4.154 1.00 0.00 H new ATOM 0 HA TYR A 24 2.206 4.139 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.677 2.358 4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.686 2.590 5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.415 0.360 2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.017 0.922 6.127 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.737 -2.078 2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.347 -1.520 6.053 1.00 0.00 H new ATOM 0 HH TYR A 24 0.548 -3.396 5.023 1.00 0.00 H new ATOM 339 N ARG A 25 2.319 2.522 1.400 1.00 0.00 N ATOM 340 CA ARG A 25 2.108 1.916 0.097 1.00 0.00 C ATOM 341 C ARG A 25 3.338 1.108 -0.318 1.00 0.00 C ATOM 342 O ARG A 25 4.320 1.668 -0.805 1.00 0.00 O ATOM 343 CB ARG A 25 1.822 2.978 -0.966 1.00 0.00 C ATOM 344 CG ARG A 25 1.032 4.148 -0.374 1.00 0.00 C ATOM 345 CD ARG A 25 1.178 5.401 -1.238 1.00 0.00 C ATOM 346 NE ARG A 25 -0.155 5.867 -1.683 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.371 6.572 -2.813 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.657 6.901 -3.623 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.604 6.937 -3.115 1.00 0.00 N ATOM 0 H ARG A 25 3.238 2.945 1.529 1.00 0.00 H new ATOM 0 HA ARG A 25 1.244 1.256 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.761 3.342 -1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.260 2.533 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.021 3.877 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.385 4.355 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.677 6.187 -0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.805 5.185 -2.103 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.960 5.641 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.607 6.616 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.484 7.434 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.376 6.686 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.784 7.470 -3.966 1.00 0.00 H new ATOM 363 N LYS A 26 3.248 -0.199 -0.110 1.00 0.00 N ATOM 364 CA LYS A 26 4.342 -1.090 -0.457 1.00 0.00 C ATOM 365 C LYS A 26 4.271 -1.420 -1.949 1.00 0.00 C ATOM 366 O LYS A 26 3.208 -1.329 -2.560 1.00 0.00 O ATOM 367 CB LYS A 26 4.335 -2.323 0.448 1.00 0.00 C ATOM 368 CG LYS A 26 5.607 -2.389 1.295 1.00 0.00 C ATOM 369 CD LYS A 26 5.518 -3.512 2.330 1.00 0.00 C ATOM 370 CE LYS A 26 5.223 -2.951 3.723 1.00 0.00 C ATOM 371 NZ LYS A 26 6.111 -3.569 4.731 1.00 0.00 N ATOM 0 H LYS A 26 2.434 -0.661 0.295 1.00 0.00 H new ATOM 0 HA LYS A 26 5.301 -0.602 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.461 -2.295 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.251 -3.224 -0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.470 -2.552 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.762 -1.436 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.735 -4.214 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.455 -4.069 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.361 -1.870 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.181 -3.139 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.897 -3.176 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.959 -4.598 4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.103 -3.368 4.490 1.00 0.00 H new ATOM 385 N MET A 27 5.418 -1.799 -2.494 1.00 0.00 N ATOM 386 CA MET A 27 5.501 -2.144 -3.903 1.00 0.00 C ATOM 387 C MET A 27 6.596 -3.184 -4.150 1.00 0.00 C ATOM 388 O MET A 27 7.585 -3.234 -3.419 1.00 0.00 O ATOM 389 CB MET A 27 5.797 -0.885 -4.721 1.00 0.00 C ATOM 390 CG MET A 27 4.567 -0.448 -5.519 1.00 0.00 C ATOM 391 SD MET A 27 4.641 1.305 -5.843 1.00 0.00 S ATOM 392 CE MET A 27 2.962 1.594 -6.373 1.00 0.00 C ATOM 0 H MET A 27 6.298 -1.875 -1.984 1.00 0.00 H new ATOM 0 HA MET A 27 4.546 -2.571 -4.210 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.108 -0.080 -4.056 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.627 -1.076 -5.401 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.519 -0.998 -6.459 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.660 -0.686 -4.964 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.602 2.530 -5.946 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.929 1.655 -7.461 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.328 0.774 -6.037 1.00 0.00 H new ATOM 402 N TRP A 28 6.383 -3.987 -5.183 1.00 0.00 N ATOM 403 CA TRP A 28 7.340 -5.021 -5.535 1.00 0.00 C ATOM 404 C TRP A 28 6.971 -5.554 -6.921 1.00 0.00 C ATOM 405 O TRP A 28 7.265 -4.920 -7.933 1.00 0.00 O ATOM 406 CB TRP A 28 7.383 -6.116 -4.465 1.00 0.00 C ATOM 407 CG TRP A 28 6.050 -6.339 -3.751 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.896 -6.781 -4.273 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.774 -6.112 -2.352 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.905 -6.856 -3.318 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.455 -6.436 -2.112 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.613 -5.648 -1.323 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.856 -6.331 -0.850 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.000 -5.549 -0.069 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.673 -5.871 0.188 1.00 0.00 C ATOM 0 H TRP A 28 5.562 -3.942 -5.787 1.00 0.00 H new ATOM 0 HA TRP A 28 8.350 -4.614 -5.576 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.696 -7.051 -4.929 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.141 -5.858 -3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.760 -7.045 -5.311 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.944 -7.163 -3.468 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.648 -5.389 -1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.820 -6.591 -0.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.600 -5.198 0.757 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.274 -5.766 1.186 1.00 0.00 H new ATOM 426 N CYS A 29 6.332 -6.714 -6.922 1.00 0.00 N ATOM 427 CA CYS A 29 5.919 -7.340 -8.168 1.00 0.00 C ATOM 428 C CYS A 29 5.110 -8.594 -7.831 1.00 0.00 C ATOM 429 O CYS A 29 5.622 -9.513 -7.190 1.00 0.00 O ATOM 430 CB CYS A 29 7.118 -7.657 -9.065 1.00 0.00 C ATOM 431 SG CYS A 29 7.052 -6.635 -10.581 1.00 0.00 S ATOM 0 H CYS A 29 6.090 -7.237 -6.081 1.00 0.00 H new ATOM 0 HA CYS A 29 5.296 -6.650 -8.736 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.046 -7.465 -8.527 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.116 -8.715 -9.329 1.00 0.00 H new ATOM 0 HG CYS A 29 7.076 -7.407 -11.626 1.00 0.00 H new ATOM 437 N ASP A 30 3.863 -8.593 -8.277 1.00 0.00 N ATOM 438 CA ASP A 30 2.979 -9.720 -8.031 1.00 0.00 C ATOM 439 C ASP A 30 3.701 -11.018 -8.397 1.00 0.00 C ATOM 440 O ASP A 30 4.836 -10.990 -8.870 1.00 0.00 O ATOM 441 CB ASP A 30 1.714 -9.623 -8.885 1.00 0.00 C ATOM 442 CG ASP A 30 0.605 -10.609 -8.511 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.530 -11.082 -7.367 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.217 -10.892 -9.464 1.00 0.00 O ATOM 0 H ASP A 30 3.443 -7.830 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 30 2.703 -9.710 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.319 -8.610 -8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.985 -9.783 -9.929 1.00 0.00 H new ATOM 450 N ALA A 31 3.011 -12.126 -8.163 1.00 0.00 N ATOM 451 CA ALA A 31 3.574 -13.432 -8.463 1.00 0.00 C ATOM 452 C ALA A 31 3.611 -13.631 -9.979 1.00 0.00 C ATOM 453 O ALA A 31 4.069 -14.666 -10.462 1.00 0.00 O ATOM 454 CB ALA A 31 2.756 -14.514 -7.754 1.00 0.00 C ATOM 0 H ALA A 31 2.070 -12.146 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 31 4.598 -13.502 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.177 -15.494 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.784 -14.345 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.723 -14.475 -8.101 1.00 0.00 H new ATOM 460 N PHE A 32 3.123 -12.623 -10.690 1.00 0.00 N ATOM 461 CA PHE A 32 3.095 -12.676 -12.140 1.00 0.00 C ATOM 462 C PHE A 32 3.940 -11.553 -12.746 1.00 0.00 C ATOM 463 O PHE A 32 4.223 -11.559 -13.943 1.00 0.00 O ATOM 464 CB PHE A 32 1.638 -12.485 -12.567 1.00 0.00 C ATOM 465 CG PHE A 32 0.735 -13.679 -12.244 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.577 -14.083 -10.956 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.091 -14.334 -13.246 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.260 -15.189 -10.656 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.747 -15.442 -12.947 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.905 -15.846 -11.659 1.00 0.00 C ATOM 0 H PHE A 32 2.744 -11.766 -10.287 1.00 0.00 H new ATOM 0 HA PHE A 32 3.500 -13.628 -12.485 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.239 -11.597 -12.076 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.606 -12.297 -13.640 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.089 -13.562 -10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.216 -14.012 -14.269 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.385 -15.509 -9.632 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.258 -15.963 -13.743 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.542 -16.688 -11.431 1.00 0.00 H new ATOM 480 N CYS A 33 4.322 -10.616 -11.890 1.00 0.00 N ATOM 481 CA CYS A 33 5.130 -9.489 -12.326 1.00 0.00 C ATOM 482 C CYS A 33 4.674 -9.086 -13.728 1.00 0.00 C ATOM 483 O CYS A 33 5.460 -9.117 -14.674 1.00 0.00 O ATOM 484 CB CYS A 33 6.624 -9.814 -12.282 1.00 0.00 C ATOM 485 SG CYS A 33 7.556 -8.609 -13.296 1.00 0.00 S ATOM 0 H CYS A 33 4.087 -10.614 -10.897 1.00 0.00 H new ATOM 0 HA CYS A 33 4.988 -8.650 -11.644 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.980 -9.788 -11.252 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.796 -10.824 -12.653 1.00 0.00 H new ATOM 0 HG CYS A 33 7.098 -8.620 -14.513 1.00 0.00 H new ATOM 491 N SER A 34 3.406 -8.713 -13.820 1.00 0.00 N ATOM 492 CA SER A 34 2.836 -8.304 -15.093 1.00 0.00 C ATOM 493 C SER A 34 3.544 -7.047 -15.603 1.00 0.00 C ATOM 494 O SER A 34 4.407 -6.496 -14.920 1.00 0.00 O ATOM 495 CB SER A 34 1.332 -8.051 -14.965 1.00 0.00 C ATOM 496 OG SER A 34 0.621 -9.228 -14.595 1.00 0.00 O ATOM 0 H SER A 34 2.757 -8.685 -13.034 1.00 0.00 H new ATOM 0 HA SER A 34 2.982 -9.112 -15.810 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.158 -7.274 -14.221 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.946 -7.677 -15.913 1.00 0.00 H new ATOM 0 HG SER A 34 -0.335 -9.024 -14.522 1.00 0.00 H new ATOM 502 N SER A 35 3.154 -6.632 -16.799 1.00 0.00 N ATOM 503 CA SER A 35 3.742 -5.451 -17.408 1.00 0.00 C ATOM 504 C SER A 35 3.264 -4.192 -16.680 1.00 0.00 C ATOM 505 O SER A 35 3.709 -3.088 -16.986 1.00 0.00 O ATOM 506 CB SER A 35 3.392 -5.368 -18.896 1.00 0.00 C ATOM 507 OG SER A 35 3.722 -6.568 -19.591 1.00 0.00 O ATOM 0 H SER A 35 2.439 -7.092 -17.362 1.00 0.00 H new ATOM 0 HA SER A 35 4.826 -5.524 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.327 -5.166 -19.007 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.924 -4.530 -19.347 1.00 0.00 H new ATOM 0 HG SER A 35 3.482 -6.475 -20.537 1.00 0.00 H new ATOM 513 N ARG A 36 2.366 -4.403 -15.729 1.00 0.00 N ATOM 514 CA ARG A 36 1.824 -3.299 -14.955 1.00 0.00 C ATOM 515 C ARG A 36 2.857 -2.805 -13.941 1.00 0.00 C ATOM 516 O ARG A 36 2.564 -1.930 -13.128 1.00 0.00 O ATOM 517 CB ARG A 36 0.552 -3.719 -14.215 1.00 0.00 C ATOM 518 CG ARG A 36 -0.395 -4.485 -15.141 1.00 0.00 C ATOM 519 CD ARG A 36 -1.016 -3.552 -16.182 1.00 0.00 C ATOM 520 NE ARG A 36 -2.368 -3.135 -15.747 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.359 -2.778 -16.590 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.157 -2.784 -17.926 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.527 -2.422 -16.091 1.00 0.00 N ATOM 0 H ARG A 36 2.000 -5.321 -15.477 1.00 0.00 H new ATOM 0 HA ARG A 36 1.578 -2.495 -15.649 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.814 -4.343 -13.360 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.047 -2.836 -13.823 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.149 -5.285 -15.643 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.183 -4.956 -14.553 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.383 -2.675 -16.320 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.075 -4.057 -17.146 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.563 -3.116 -14.746 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.250 -3.060 -18.303 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.911 -2.513 -18.557 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.671 -2.419 -15.081 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.286 -2.149 -16.715 1.00 0.00 H new ATOM 537 N GLY A 37 4.044 -3.388 -14.021 1.00 0.00 N ATOM 538 CA GLY A 37 5.121 -3.017 -13.120 1.00 0.00 C ATOM 539 C GLY A 37 5.049 -3.819 -11.818 1.00 0.00 C ATOM 540 O GLY A 37 5.021 -5.048 -11.844 1.00 0.00 O ATOM 0 H GLY A 37 4.283 -4.114 -14.696 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.082 -3.190 -13.605 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.063 -1.951 -12.898 1.00 0.00 H new ATOM 544 N LYS A 38 5.020 -3.090 -10.713 1.00 0.00 N ATOM 545 CA LYS A 38 4.950 -3.717 -9.404 1.00 0.00 C ATOM 546 C LYS A 38 3.496 -3.738 -8.928 1.00 0.00 C ATOM 547 O LYS A 38 2.582 -3.461 -9.704 1.00 0.00 O ATOM 548 CB LYS A 38 5.908 -3.030 -8.429 1.00 0.00 C ATOM 549 CG LYS A 38 7.110 -2.438 -9.167 1.00 0.00 C ATOM 550 CD LYS A 38 7.646 -3.417 -10.215 1.00 0.00 C ATOM 551 CE LYS A 38 9.175 -3.403 -10.248 1.00 0.00 C ATOM 552 NZ LYS A 38 9.662 -2.718 -11.465 1.00 0.00 N ATOM 0 H LYS A 38 5.044 -2.070 -10.697 1.00 0.00 H new ATOM 0 HA LYS A 38 5.280 -4.754 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.382 -2.241 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.252 -3.748 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.821 -1.505 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.897 -2.197 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.293 -4.424 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.255 -3.153 -11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.559 -2.898 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.554 -4.425 -10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.702 -2.718 -11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.311 -3.216 -12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.316 -1.737 -11.474 1.00 0.00 H new ATOM 566 N VAL A 39 3.329 -4.065 -7.655 1.00 0.00 N ATOM 567 CA VAL A 39 2.001 -4.124 -7.068 1.00 0.00 C ATOM 568 C VAL A 39 1.782 -2.893 -6.186 1.00 0.00 C ATOM 569 O VAL A 39 2.501 -1.902 -6.310 1.00 0.00 O ATOM 570 CB VAL A 39 1.823 -5.441 -6.309 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.344 -5.819 -6.206 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.631 -6.563 -6.963 1.00 0.00 C ATOM 0 H VAL A 39 4.090 -4.292 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 39 1.239 -4.106 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 39 2.204 -5.299 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.246 -6.759 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.196 -5.035 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.073 -5.934 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.487 -7.488 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.294 -6.703 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.688 -6.299 -6.961 1.00 0.00 H new ATOM 582 N VAL A 40 0.788 -2.995 -5.317 1.00 0.00 N ATOM 583 CA VAL A 40 0.467 -1.902 -4.416 1.00 0.00 C ATOM 584 C VAL A 40 -0.204 -2.462 -3.160 1.00 0.00 C ATOM 585 O VAL A 40 -1.422 -2.372 -3.009 1.00 0.00 O ATOM 586 CB VAL A 40 -0.392 -0.862 -5.139 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.245 0.517 -4.493 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.049 -0.809 -6.629 1.00 0.00 C ATOM 0 H VAL A 40 0.194 -3.818 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 40 1.375 -1.390 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.435 -1.165 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.866 1.237 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.562 0.466 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.797 0.832 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.673 -0.062 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.001 -0.542 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.230 -1.785 -7.079 1.00 0.00 H new ATOM 598 N GLU A 41 0.620 -3.028 -2.290 1.00 0.00 N ATOM 599 CA GLU A 41 0.122 -3.604 -1.053 1.00 0.00 C ATOM 600 C GLU A 41 0.160 -2.565 0.070 1.00 0.00 C ATOM 601 O GLU A 41 0.950 -2.684 1.004 1.00 0.00 O ATOM 602 CB GLU A 41 0.917 -4.854 -0.670 1.00 0.00 C ATOM 603 CG GLU A 41 1.170 -5.739 -1.892 1.00 0.00 C ATOM 604 CD GLU A 41 0.836 -7.201 -1.588 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.985 -7.645 -0.440 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.408 -7.883 -2.596 1.00 0.00 O ATOM 0 H GLU A 41 1.629 -3.100 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.914 -3.906 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.868 -4.562 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.371 -5.419 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.565 -5.391 -2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.213 -5.656 -2.196 1.00 0.00 H new ATOM 614 N LEU A 42 -0.705 -1.568 -0.061 1.00 0.00 N ATOM 615 CA LEU A 42 -0.779 -0.508 0.930 1.00 0.00 C ATOM 616 C LEU A 42 -1.298 -1.085 2.248 1.00 0.00 C ATOM 617 O LEU A 42 -1.561 -2.282 2.347 1.00 0.00 O ATOM 618 CB LEU A 42 -1.608 0.664 0.400 1.00 0.00 C ATOM 619 CG LEU A 42 -1.556 0.893 -1.112 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.794 0.309 -1.798 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.368 2.377 -1.435 1.00 0.00 C ATOM 0 H LEU A 42 -1.359 -1.473 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 42 0.212 -0.101 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.648 0.508 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.273 1.574 0.897 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.689 0.365 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.732 0.485 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.843 -0.763 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.689 0.789 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.334 2.513 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.201 2.947 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.435 2.730 -0.996 1.00 0.00 H new ATOM 633 N GLY A 43 -1.434 -0.204 3.230 1.00 0.00 N ATOM 634 CA GLY A 43 -1.917 -0.610 4.538 1.00 0.00 C ATOM 635 C GLY A 43 -1.518 0.405 5.611 1.00 0.00 C ATOM 636 O GLY A 43 -1.430 1.600 5.335 1.00 0.00 O ATOM 0 H GLY A 43 -1.218 0.789 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.002 -0.711 4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.512 -1.590 4.791 1.00 0.00 H new ATOM 640 N CYS A 44 -1.287 -0.107 6.810 1.00 0.00 N ATOM 641 CA CYS A 44 -0.900 0.740 7.925 1.00 0.00 C ATOM 642 C CYS A 44 0.553 0.424 8.285 1.00 0.00 C ATOM 643 O CYS A 44 1.038 -0.672 8.019 1.00 0.00 O ATOM 644 CB CYS A 44 -1.836 0.563 9.122 1.00 0.00 C ATOM 645 SG CYS A 44 -3.574 0.481 8.552 1.00 0.00 S ATOM 0 H CYS A 44 -1.360 -1.099 7.034 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.983 1.788 7.635 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.579 -0.347 9.663 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.712 1.393 9.817 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.971 1.667 8.198 1.00 0.00 H new ATOM 651 N ALA A 45 1.207 1.408 8.886 1.00 0.00 N ATOM 652 CA ALA A 45 2.594 1.250 9.286 1.00 0.00 C ATOM 653 C ALA A 45 2.989 2.403 10.211 1.00 0.00 C ATOM 654 O ALA A 45 2.535 3.531 10.032 1.00 0.00 O ATOM 655 CB ALA A 45 3.479 1.174 8.039 1.00 0.00 C ATOM 0 H ALA A 45 0.801 2.318 9.105 1.00 0.00 H new ATOM 0 HA ALA A 45 2.730 0.321 9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.520 1.055 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.177 0.322 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.370 2.091 7.459 1.00 0.00 H new ATOM 661 N ALA A 46 3.832 2.078 11.182 1.00 0.00 N ATOM 662 CA ALA A 46 4.291 3.072 12.136 1.00 0.00 C ATOM 663 C ALA A 46 4.838 4.285 11.380 1.00 0.00 C ATOM 664 O ALA A 46 4.492 5.423 11.692 1.00 0.00 O ATOM 665 CB ALA A 46 5.334 2.445 13.065 1.00 0.00 C ATOM 0 H ALA A 46 4.208 1.141 11.327 1.00 0.00 H new ATOM 0 HA ALA A 46 3.465 3.417 12.758 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.679 3.191 13.781 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.888 1.607 13.600 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.179 2.090 12.476 1.00 0.00 H new ATOM 671 N THR A 47 5.682 3.999 10.400 1.00 0.00 N ATOM 672 CA THR A 47 6.281 5.051 9.597 1.00 0.00 C ATOM 673 C THR A 47 6.790 4.486 8.270 1.00 0.00 C ATOM 674 O THR A 47 6.965 3.277 8.133 1.00 0.00 O ATOM 675 CB THR A 47 7.376 5.718 10.432 1.00 0.00 C ATOM 676 OG1 THR A 47 8.167 4.630 10.901 1.00 0.00 O ATOM 677 CG2 THR A 47 6.829 6.359 11.711 1.00 0.00 C ATOM 0 H THR A 47 5.965 3.053 10.144 1.00 0.00 H new ATOM 0 HA THR A 47 5.546 5.811 9.330 1.00 0.00 H new ATOM 0 HB THR A 47 7.878 6.476 9.832 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.902 4.973 11.451 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.647 6.818 12.266 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.095 7.121 11.451 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.356 5.595 12.327 1.00 0.00 H new ATOM 685 N CYS A 48 7.011 5.388 7.325 1.00 0.00 N ATOM 686 CA CYS A 48 7.496 4.994 6.013 1.00 0.00 C ATOM 687 C CYS A 48 8.432 3.795 6.186 1.00 0.00 C ATOM 688 O CYS A 48 9.610 3.962 6.499 1.00 0.00 O ATOM 689 CB CYS A 48 8.184 6.155 5.292 1.00 0.00 C ATOM 690 SG CYS A 48 7.751 7.738 6.101 1.00 0.00 S ATOM 0 H CYS A 48 6.863 6.390 7.442 1.00 0.00 H new ATOM 0 HA CYS A 48 6.654 4.708 5.382 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.265 6.014 5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.879 6.176 4.246 1.00 0.00 H new ATOM 0 HG CYS A 48 6.480 7.753 6.372 1.00 0.00 H new ATOM 696 N PRO A 49 7.857 2.581 5.968 1.00 0.00 N ATOM 697 CA PRO A 49 8.627 1.356 6.097 1.00 0.00 C ATOM 698 C PRO A 49 9.561 1.167 4.900 1.00 0.00 C ATOM 699 O PRO A 49 10.352 0.225 4.868 1.00 0.00 O ATOM 700 CB PRO A 49 7.589 0.251 6.220 1.00 0.00 C ATOM 701 CG PRO A 49 6.291 0.839 5.693 1.00 0.00 C ATOM 702 CD PRO A 49 6.466 2.345 5.595 1.00 0.00 C ATOM 0 HA PRO A 49 9.288 1.363 6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.883 -0.627 5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.480 -0.069 7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.051 0.419 4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.463 0.594 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.260 2.703 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.782 2.868 6.264 1.00 0.00 H new ATOM 710 N SER A 50 9.439 2.077 3.945 1.00 0.00 N ATOM 711 CA SER A 50 10.263 2.022 2.751 1.00 0.00 C ATOM 712 C SER A 50 11.567 1.278 3.047 1.00 0.00 C ATOM 713 O SER A 50 12.161 1.459 4.108 1.00 0.00 O ATOM 714 CB SER A 50 10.562 3.427 2.222 1.00 0.00 C ATOM 715 OG SER A 50 10.138 3.591 0.871 1.00 0.00 O ATOM 0 H SER A 50 8.782 2.856 3.974 1.00 0.00 H new ATOM 0 HA SER A 50 9.712 1.483 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.063 4.165 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.632 3.620 2.292 1.00 0.00 H new ATOM 0 HG SER A 50 9.219 3.930 0.856 1.00 0.00 H new ATOM 721 N LYS A 51 11.973 0.456 2.089 1.00 0.00 N ATOM 722 CA LYS A 51 13.195 -0.316 2.234 1.00 0.00 C ATOM 723 C LYS A 51 14.356 0.450 1.596 1.00 0.00 C ATOM 724 O LYS A 51 14.733 1.521 2.068 1.00 0.00 O ATOM 725 CB LYS A 51 13.006 -1.726 1.673 1.00 0.00 C ATOM 726 CG LYS A 51 12.434 -2.666 2.736 1.00 0.00 C ATOM 727 CD LYS A 51 13.550 -3.294 3.572 1.00 0.00 C ATOM 728 CE LYS A 51 14.195 -2.258 4.495 1.00 0.00 C ATOM 729 NZ LYS A 51 13.175 -1.645 5.376 1.00 0.00 N ATOM 0 H LYS A 51 11.477 0.308 1.210 1.00 0.00 H new ATOM 0 HA LYS A 51 13.441 -0.447 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.337 -1.693 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.962 -2.111 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.754 -2.115 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.849 -3.451 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.146 -4.114 4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.307 -3.720 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.969 -2.732 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.683 -1.486 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.645 -1.060 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.538 -1.050 4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.625 -2.394 5.843 1.00 0.00 H new ATOM 743 N LYS A 52 14.890 -0.130 0.530 1.00 0.00 N ATOM 744 CA LYS A 52 16.001 0.485 -0.178 1.00 0.00 C ATOM 745 C LYS A 52 16.036 -0.042 -1.614 1.00 0.00 C ATOM 746 O LYS A 52 16.069 0.740 -2.563 1.00 0.00 O ATOM 747 CB LYS A 52 17.308 0.271 0.589 1.00 0.00 C ATOM 748 CG LYS A 52 17.194 0.793 2.022 1.00 0.00 C ATOM 749 CD LYS A 52 16.878 -0.344 2.995 1.00 0.00 C ATOM 750 CE LYS A 52 16.761 0.179 4.430 1.00 0.00 C ATOM 751 NZ LYS A 52 18.065 0.081 5.122 1.00 0.00 N ATOM 0 H LYS A 52 14.574 -1.018 0.140 1.00 0.00 H new ATOM 0 HA LYS A 52 15.867 1.565 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.556 -0.790 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.123 0.782 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.127 1.276 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.412 1.551 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.946 -0.829 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.661 -1.101 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.424 1.216 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.010 -0.395 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.970 0.439 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.371 -0.913 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.772 0.648 4.612 1.00 0.00 H new ATOM 765 N PRO A 53 16.029 -1.396 -1.732 1.00 0.00 N ATOM 766 CA PRO A 53 16.060 -2.034 -3.036 1.00 0.00 C ATOM 767 C PRO A 53 14.701 -1.932 -3.729 1.00 0.00 C ATOM 768 O PRO A 53 14.317 -0.861 -4.197 1.00 0.00 O ATOM 769 CB PRO A 53 16.482 -3.469 -2.761 1.00 0.00 C ATOM 770 CG PRO A 53 16.220 -3.705 -1.283 1.00 0.00 C ATOM 771 CD PRO A 53 15.990 -2.351 -0.629 1.00 0.00 C ATOM 0 HA PRO A 53 16.756 -1.553 -3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.913 -4.168 -3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.535 -3.619 -3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.350 -4.347 -1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.067 -4.213 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.031 -2.319 -0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.760 -2.133 0.111 1.00 0.00 H new ATOM 779 N TYR A 54 14.008 -3.061 -3.774 1.00 0.00 N ATOM 780 CA TYR A 54 12.700 -3.113 -4.402 1.00 0.00 C ATOM 781 C TYR A 54 11.609 -2.642 -3.439 1.00 0.00 C ATOM 782 O TYR A 54 10.823 -1.755 -3.770 1.00 0.00 O ATOM 783 CB TYR A 54 12.456 -4.583 -4.750 1.00 0.00 C ATOM 784 CG TYR A 54 12.997 -5.565 -3.709 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.348 -5.841 -3.658 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.134 -6.177 -2.823 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.858 -6.766 -2.680 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.644 -7.102 -1.844 1.00 0.00 C ATOM 789 CZ TYR A 54 13.980 -7.351 -1.821 1.00 0.00 C ATOM 790 OH TYR A 54 14.461 -8.224 -0.896 1.00 0.00 O ATOM 0 H TYR A 54 14.329 -3.947 -3.385 1.00 0.00 H new ATOM 0 HA TYR A 54 12.670 -2.465 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.384 -4.746 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.917 -4.799 -5.714 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.023 -5.363 -4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.076 -5.962 -2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.913 -6.990 -2.629 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.980 -7.587 -1.144 1.00 0.00 H new ATOM 0 HH TYR A 54 13.721 -8.563 -0.350 1.00 0.00 H new ATOM 800 N GLU A 55 11.597 -3.254 -2.264 1.00 0.00 N ATOM 801 CA GLU A 55 10.616 -2.909 -1.250 1.00 0.00 C ATOM 802 C GLU A 55 10.344 -1.404 -1.266 1.00 0.00 C ATOM 803 O GLU A 55 10.781 -0.680 -0.372 1.00 0.00 O ATOM 804 CB GLU A 55 11.076 -3.368 0.137 1.00 0.00 C ATOM 805 CG GLU A 55 10.640 -4.809 0.408 1.00 0.00 C ATOM 806 CD GLU A 55 10.871 -5.183 1.874 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.842 -5.885 2.189 1.00 0.00 O ATOM 808 OE2 GLU A 55 9.996 -4.717 2.700 1.00 0.00 O ATOM 0 H GLU A 55 12.252 -3.987 -1.992 1.00 0.00 H new ATOM 0 HA GLU A 55 9.686 -3.430 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.161 -3.293 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.660 -2.709 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.585 -4.927 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.197 -5.489 -0.237 1.00 0.00 H new ATOM 816 N GLU A 56 9.623 -0.976 -2.292 1.00 0.00 N ATOM 817 CA GLU A 56 9.286 0.430 -2.436 1.00 0.00 C ATOM 818 C GLU A 56 7.998 0.749 -1.676 1.00 0.00 C ATOM 819 O GLU A 56 6.904 0.650 -2.231 1.00 0.00 O ATOM 820 CB GLU A 56 9.162 0.815 -3.912 1.00 0.00 C ATOM 821 CG GLU A 56 10.095 1.979 -4.255 1.00 0.00 C ATOM 822 CD GLU A 56 9.496 2.854 -5.358 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.843 3.865 -5.060 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.732 2.453 -6.561 1.00 0.00 O ATOM 0 H GLU A 56 9.263 -1.579 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 56 10.093 1.023 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.402 -0.045 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.132 1.093 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.273 2.582 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.062 1.592 -4.577 1.00 0.00 H new ATOM 832 N VAL A 57 8.169 1.125 -0.417 1.00 0.00 N ATOM 833 CA VAL A 57 7.033 1.459 0.425 1.00 0.00 C ATOM 834 C VAL A 57 6.850 2.977 0.451 1.00 0.00 C ATOM 835 O VAL A 57 7.789 3.723 0.176 1.00 0.00 O ATOM 836 CB VAL A 57 7.219 0.856 1.818 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.881 0.735 2.548 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.925 -0.499 1.740 1.00 0.00 C ATOM 0 H VAL A 57 9.077 1.206 0.040 1.00 0.00 H new ATOM 0 HA VAL A 57 6.118 1.029 0.018 1.00 0.00 H new ATOM 0 HB VAL A 57 7.853 1.532 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.043 0.303 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.433 1.723 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.212 0.092 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.044 -0.905 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.329 -1.186 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.905 -0.373 1.281 1.00 0.00 H new ATOM 848 N THR A 58 5.635 3.390 0.782 1.00 0.00 N ATOM 849 CA THR A 58 5.318 4.807 0.845 1.00 0.00 C ATOM 850 C THR A 58 4.686 5.152 2.195 1.00 0.00 C ATOM 851 O THR A 58 5.049 4.575 3.220 1.00 0.00 O ATOM 852 CB THR A 58 4.422 5.145 -0.348 1.00 0.00 C ATOM 853 OG1 THR A 58 4.903 4.303 -1.392 1.00 0.00 O ATOM 854 CG2 THR A 58 4.659 6.562 -0.874 1.00 0.00 C ATOM 0 H THR A 58 4.859 2.769 1.009 1.00 0.00 H new ATOM 0 HA THR A 58 6.219 5.417 0.777 1.00 0.00 H new ATOM 0 HB THR A 58 3.377 5.034 -0.060 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.587 3.387 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.998 6.751 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.452 7.283 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.696 6.663 -1.194 1.00 0.00 H new ATOM 862 N CYS A 59 3.752 6.090 2.153 1.00 0.00 N ATOM 863 CA CYS A 59 3.067 6.518 3.361 1.00 0.00 C ATOM 864 C CYS A 59 1.689 7.053 2.966 1.00 0.00 C ATOM 865 O CYS A 59 1.393 7.205 1.782 1.00 0.00 O ATOM 866 CB CYS A 59 3.881 7.556 4.137 1.00 0.00 C ATOM 867 SG CYS A 59 5.123 6.718 5.188 1.00 0.00 S ATOM 0 H CYS A 59 3.453 6.566 1.302 1.00 0.00 H new ATOM 0 HA CYS A 59 2.948 5.670 4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.378 8.234 3.443 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.219 8.162 4.755 1.00 0.00 H new ATOM 0 HG CYS A 59 6.287 7.267 5.006 1.00 0.00 H new ATOM 873 N CYS A 60 0.882 7.327 3.983 1.00 0.00 N ATOM 874 CA CYS A 60 -0.457 7.841 3.757 1.00 0.00 C ATOM 875 C CYS A 60 -1.128 8.048 5.116 1.00 0.00 C ATOM 876 O CYS A 60 -1.373 7.086 5.844 1.00 0.00 O ATOM 877 CB CYS A 60 -1.274 6.917 2.852 1.00 0.00 C ATOM 878 SG CYS A 60 -2.940 6.656 3.563 1.00 0.00 S ATOM 0 H CYS A 60 1.131 7.202 4.964 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.398 8.795 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.359 7.352 1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.764 5.960 2.740 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.847 6.536 4.854 1.00 0.00 H new ATOM 884 N SER A 61 -1.405 9.307 5.419 1.00 0.00 N ATOM 885 CA SER A 61 -2.043 9.652 6.678 1.00 0.00 C ATOM 886 C SER A 61 -3.474 10.130 6.427 1.00 0.00 C ATOM 887 O SER A 61 -4.365 9.890 7.241 1.00 0.00 O ATOM 888 CB SER A 61 -1.246 10.726 7.422 1.00 0.00 C ATOM 889 OG SER A 61 -1.531 12.035 6.935 1.00 0.00 O ATOM 0 H SER A 61 -1.199 10.102 4.814 1.00 0.00 H new ATOM 0 HA SER A 61 -2.071 8.760 7.303 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.477 10.677 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.180 10.524 7.317 1.00 0.00 H new ATOM 0 HG SER A 61 -1.004 12.692 7.436 1.00 0.00 H new ATOM 895 N THR A 62 -3.650 10.800 5.296 1.00 0.00 N ATOM 896 CA THR A 62 -4.959 11.313 4.928 1.00 0.00 C ATOM 897 C THR A 62 -6.018 10.217 5.054 1.00 0.00 C ATOM 898 O THR A 62 -5.686 9.036 5.156 1.00 0.00 O ATOM 899 CB THR A 62 -4.855 11.902 3.520 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.496 11.688 3.153 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.011 13.423 3.508 1.00 0.00 C ATOM 0 H THR A 62 -2.909 10.999 4.624 1.00 0.00 H new ATOM 0 HA THR A 62 -5.279 12.105 5.605 1.00 0.00 H new ATOM 0 HB THR A 62 -5.618 11.455 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.277 10.738 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.929 13.789 2.485 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.987 13.692 3.912 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.229 13.874 4.118 1.00 0.00 H new ATOM 909 N ASP A 63 -7.272 10.645 5.041 1.00 0.00 N ATOM 910 CA ASP A 63 -8.382 9.714 5.151 1.00 0.00 C ATOM 911 C ASP A 63 -8.490 8.900 3.860 1.00 0.00 C ATOM 912 O ASP A 63 -8.975 9.399 2.847 1.00 0.00 O ATOM 913 CB ASP A 63 -9.704 10.455 5.355 1.00 0.00 C ATOM 914 CG ASP A 63 -10.123 10.641 6.814 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.306 9.664 7.556 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.266 11.867 7.189 1.00 0.00 O ATOM 0 H ASP A 63 -7.544 11.624 4.956 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.195 9.067 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.629 11.436 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.492 9.912 4.833 1.00 0.00 H new ATOM 922 N LYS A 64 -8.031 7.659 3.940 1.00 0.00 N ATOM 923 CA LYS A 64 -8.069 6.772 2.791 1.00 0.00 C ATOM 924 C LYS A 64 -7.146 7.317 1.700 1.00 0.00 C ATOM 925 O LYS A 64 -7.559 7.466 0.550 1.00 0.00 O ATOM 926 CB LYS A 64 -9.511 6.558 2.327 1.00 0.00 C ATOM 927 CG LYS A 64 -10.358 5.937 3.440 1.00 0.00 C ATOM 928 CD LYS A 64 -11.839 5.914 3.054 1.00 0.00 C ATOM 929 CE LYS A 64 -12.642 5.035 4.015 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.258 3.903 3.288 1.00 0.00 N ATOM 0 H LYS A 64 -7.631 7.248 4.783 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.695 5.784 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.945 7.511 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.523 5.909 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.015 4.922 3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.227 6.505 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.237 6.929 3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.948 5.540 2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.990 4.658 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.417 5.629 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.595 3.194 3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.060 4.248 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.553 3.470 2.658 1.00 0.00 H new ATOM 944 N CYS A 65 -5.915 7.603 2.097 1.00 0.00 N ATOM 945 CA CYS A 65 -4.931 8.129 1.166 1.00 0.00 C ATOM 946 C CYS A 65 -4.025 6.979 0.724 1.00 0.00 C ATOM 947 O CYS A 65 -2.868 7.197 0.367 1.00 0.00 O ATOM 948 CB CYS A 65 -4.132 9.281 1.780 1.00 0.00 C ATOM 949 SG CYS A 65 -3.785 8.933 3.543 1.00 0.00 S ATOM 0 H CYS A 65 -5.576 7.480 3.051 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.437 8.547 0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.197 9.416 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.691 10.212 1.688 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.966 7.667 3.779 1.00 0.00 H new ATOM 955 N ASN A 66 -4.585 5.779 0.760 1.00 0.00 N ATOM 956 CA ASN A 66 -3.842 4.594 0.367 1.00 0.00 C ATOM 957 C ASN A 66 -4.387 4.072 -0.964 1.00 0.00 C ATOM 958 O ASN A 66 -4.035 2.976 -1.396 1.00 0.00 O ATOM 959 CB ASN A 66 -3.989 3.482 1.407 1.00 0.00 C ATOM 960 CG ASN A 66 -2.634 3.124 2.023 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.404 2.015 2.479 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.755 4.122 2.012 1.00 0.00 N ATOM 0 H ASN A 66 -5.545 5.602 1.055 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.791 4.869 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.676 3.801 2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.425 2.599 0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.822 3.984 2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.014 5.025 1.614 1.00 0.00 H new ATOM 969 N PRO A 67 -5.262 4.903 -1.592 1.00 0.00 N ATOM 970 CA PRO A 67 -5.861 4.538 -2.864 1.00 0.00 C ATOM 971 C PRO A 67 -4.851 4.680 -4.006 1.00 0.00 C ATOM 972 O PRO A 67 -4.985 5.565 -4.849 1.00 0.00 O ATOM 973 CB PRO A 67 -7.060 5.458 -3.014 1.00 0.00 C ATOM 974 CG PRO A 67 -6.823 6.613 -2.052 1.00 0.00 C ATOM 975 CD PRO A 67 -5.702 6.210 -1.108 1.00 0.00 C ATOM 0 HA PRO A 67 -6.172 3.494 -2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.151 5.816 -4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.986 4.935 -2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.555 7.517 -2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.731 6.837 -1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.888 6.934 -1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.053 6.153 -0.078 1.00 0.00 H new ATOM 983 N HIS A 68 -3.864 3.797 -3.994 1.00 0.00 N ATOM 984 CA HIS A 68 -2.832 3.813 -5.017 1.00 0.00 C ATOM 985 C HIS A 68 -3.461 4.142 -6.373 1.00 0.00 C ATOM 986 O HIS A 68 -4.660 3.955 -6.568 1.00 0.00 O ATOM 987 CB HIS A 68 -2.057 2.494 -5.028 1.00 0.00 C ATOM 988 CG HIS A 68 -2.932 1.266 -5.126 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.787 0.323 -6.128 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.959 0.839 -4.339 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.695 -0.626 -5.942 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.421 -0.303 -4.833 1.00 0.00 N ATOM 0 H HIS A 68 -3.757 3.065 -3.292 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.104 4.593 -4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.362 2.500 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.458 2.429 -4.119 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.100 0.352 -6.881 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.334 1.344 -3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.835 -1.501 -6.560 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.599 4.636 -7.301 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.056 4.993 -8.634 1.00 0.00 C ATOM 1003 C PRO A 69 -3.304 3.743 -9.480 1.00 0.00 C ATOM 1004 O PRO A 69 -2.359 3.108 -9.948 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.964 5.886 -9.198 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.729 5.622 -8.351 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.171 4.869 -7.107 1.00 0.00 C ATOM 0 HA PRO A 69 -4.013 5.515 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.775 5.656 -10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.254 6.936 -9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.001 5.038 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.245 6.560 -8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.628 3.930 -6.999 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.984 5.451 -6.205 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.579 3.428 -9.653 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.962 2.265 -10.436 1.00 0.00 C ATOM 1017 C LYS A 70 -6.412 2.422 -10.897 1.00 0.00 C ATOM 1018 O LYS A 70 -6.748 2.081 -12.032 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.704 0.979 -9.647 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.853 1.258 -8.407 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.594 2.170 -7.428 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.090 1.851 -7.405 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.845 2.947 -6.757 1.00 0.00 N ATOM 0 H LYS A 70 -5.360 3.957 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.347 2.190 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.653 0.535 -9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.198 0.253 -10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.602 0.318 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.913 1.724 -8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.178 2.050 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.445 3.212 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.452 1.704 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.260 0.918 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.693 2.559 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.244 3.409 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.129 3.644 -7.474 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.235 2.940 -9.996 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.641 3.146 -10.295 1.00 0.00 C ATOM 1039 C GLN A 71 -8.798 4.139 -11.449 1.00 0.00 C ATOM 1040 O GLN A 71 -9.393 5.201 -11.279 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.403 3.619 -9.056 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.736 2.444 -8.135 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.431 2.926 -6.860 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.668 2.860 -5.771 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -11.581 3.332 -6.864 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.953 3.223 -9.057 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.070 2.192 -10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.805 4.352 -8.515 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.322 4.120 -9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.380 1.738 -8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.822 1.910 -7.875 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.110 3.356 -7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.013 3.648 -5.996 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.253 3.757 -12.595 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.325 4.602 -13.774 1.00 0.00 C ATOM 1056 C ARG A 72 -9.497 4.178 -14.661 1.00 0.00 C ATOM 1057 O ARG A 72 -10.358 4.992 -14.989 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.028 4.528 -14.585 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.322 4.460 -16.085 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.059 4.735 -16.904 1.00 0.00 C ATOM 1061 NE ARG A 72 -6.039 3.875 -18.107 1.00 0.00 N ATOM 1062 CZ ARG A 72 -5.810 2.544 -18.083 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -5.578 1.910 -16.914 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -5.817 1.873 -19.219 1.00 0.00 N ATOM 0 H ARG A 72 -7.760 2.874 -12.732 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.472 5.628 -13.437 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.411 5.401 -14.371 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.456 3.651 -14.283 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.717 3.476 -16.338 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.092 5.188 -16.342 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.027 5.784 -17.197 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.174 4.546 -16.297 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.209 4.315 -19.012 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.575 2.436 -16.040 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.406 0.905 -16.904 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.994 2.360 -20.098 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.646 0.867 -19.218 1.00 0.00 H new ATOM 1078 N PRO A 73 -9.491 2.870 -15.034 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.544 2.326 -15.876 1.00 0.00 C ATOM 1080 C PRO A 73 -11.836 2.130 -15.079 1.00 0.00 C ATOM 1081 O PRO A 73 -12.929 2.201 -15.639 1.00 0.00 O ATOM 1082 CB PRO A 73 -9.978 1.025 -16.421 1.00 0.00 C ATOM 1083 CG PRO A 73 -8.824 0.655 -15.506 1.00 0.00 C ATOM 1084 CD PRO A 73 -8.487 1.876 -14.664 1.00 0.00 C ATOM 0 HA PRO A 73 -10.821 2.996 -16.690 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.737 0.242 -16.428 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.637 1.148 -17.449 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.097 -0.185 -14.868 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.958 0.343 -16.090 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.530 1.647 -13.599 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.479 2.235 -14.872 1.00 0.00 H new ATOM 1092 N GLY A 74 -11.667 1.890 -13.789 1.00 0.00 N ATOM 1093 CA GLY A 74 -12.808 1.683 -12.911 1.00 0.00 C ATOM 1094 C GLY A 74 -12.625 0.422 -12.064 1.00 0.00 C ATOM 1095 O GLY A 74 -13.297 0.249 -11.049 1.00 0.00 O ATOM 0 H GLY A 74 -10.758 1.834 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.932 2.548 -12.260 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.718 1.598 -13.505 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.029 -10.210 -11.163 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.315 -10.032 -9.750 1.00 0.00 C ATOM 1102 C HIS B 1 -6.048 -9.574 -9.023 1.00 0.00 C ATOM 1103 O HIS B 1 -5.223 -10.396 -8.629 1.00 0.00 O ATOM 1104 CB HIS B 1 -7.913 -11.308 -9.152 1.00 0.00 C ATOM 1105 CG HIS B 1 -7.827 -11.380 -7.647 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -7.573 -12.557 -6.965 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -7.962 -10.408 -6.699 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -7.558 -12.295 -5.667 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -7.801 -10.962 -5.504 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.917 -10.371 -11.679 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.563 -9.357 -11.533 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.401 -11.029 -11.290 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.067 -9.253 -9.623 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -8.959 -11.381 -9.450 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.400 -12.171 -9.577 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -8.165 -9.364 -6.889 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -7.384 -13.010 -4.877 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -7.851 -10.472 -4.611 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.935 -8.263 -8.868 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.784 -7.686 -8.197 1.00 0.00 C ATOM 1120 C ARG B 2 -4.945 -6.169 -8.077 1.00 0.00 C ATOM 1121 O ARG B 2 -5.815 -5.580 -8.717 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.492 -7.996 -8.955 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.701 -9.105 -8.257 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.445 -8.544 -7.586 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.019 -9.436 -6.486 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.776 -9.720 -5.405 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.007 -9.184 -5.270 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.295 -10.531 -4.481 1.00 0.00 N ATOM 0 H ARG B 2 -6.622 -7.584 -9.196 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.724 -8.128 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.728 -8.299 -9.975 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.881 -7.096 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.330 -9.591 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.420 -9.868 -8.983 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.643 -8.448 -8.318 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.645 -7.545 -7.199 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.095 -9.864 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.373 -8.559 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.572 -9.404 -4.450 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.364 -10.933 -4.590 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.854 -10.756 -3.658 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.092 -5.579 -7.252 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.129 -4.142 -7.040 1.00 0.00 C ATOM 1144 C TYR B 3 -2.838 -3.482 -7.526 1.00 0.00 C ATOM 1145 O TYR B 3 -2.233 -2.688 -6.807 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.252 -3.942 -5.528 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.514 -5.233 -4.749 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.461 -6.052 -4.396 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.804 -5.578 -4.399 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.708 -7.266 -3.663 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.050 -6.793 -3.666 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.990 -7.577 -3.335 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.223 -8.724 -2.642 1.00 0.00 O ATOM 0 H TYR B 3 -3.371 -6.070 -6.723 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.957 -3.695 -7.590 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.335 -3.485 -5.156 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.061 -3.239 -5.329 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.452 -5.782 -4.670 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.628 -4.937 -4.675 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.893 -7.915 -3.380 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.054 -7.075 -3.386 1.00 0.00 H new ATOM 0 HH TYR B 3 -4.715 -8.709 -1.804 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.452 -3.836 -8.744 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.242 -3.289 -9.333 1.00 0.00 C ATOM 1165 C TYR B 4 -1.306 -1.761 -9.399 1.00 0.00 C ATOM 1166 O TYR B 4 -2.162 -1.144 -8.765 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.179 -3.846 -10.757 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.211 -5.019 -10.925 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.642 -6.307 -10.684 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.092 -4.788 -11.314 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.268 -7.412 -10.840 1.00 0.00 C ATOM 1172 CE2 TYR B 4 2.003 -5.894 -11.471 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.546 -7.150 -11.227 1.00 0.00 C ATOM 1174 OH TYR B 4 2.406 -8.193 -11.375 1.00 0.00 O ATOM 0 H TYR B 4 -2.956 -4.494 -9.338 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.369 -3.559 -8.738 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.177 -4.167 -11.055 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.885 -3.046 -11.436 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.662 -6.487 -10.378 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.429 -3.779 -11.501 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.056 -8.425 -10.654 1.00 0.00 H new ATOM 0 HE2 TYR B 4 3.026 -5.728 -11.776 1.00 0.00 H new ATOM 0 HH TYR B 4 3.124 -8.121 -10.712 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.390 -1.194 -10.170 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.331 0.249 -10.325 1.00 0.00 C ATOM 1186 C GLU B 5 -0.861 0.657 -11.700 1.00 0.00 C ATOM 1187 O GLU B 5 -0.325 1.566 -12.333 1.00 0.00 O ATOM 1188 CB GLU B 5 1.093 0.766 -10.112 1.00 0.00 C ATOM 1189 CG GLU B 5 1.942 0.567 -11.369 1.00 0.00 C ATOM 1190 CD GLU B 5 2.603 1.880 -11.797 1.00 0.00 C ATOM 1191 OE1 GLU B 5 3.283 2.526 -10.985 1.00 0.00 O ATOM 1192 OE2 GLU B 5 2.392 2.222 -13.022 1.00 0.00 O ATOM 0 H GLU B 5 0.318 -1.708 -10.694 1.00 0.00 H new ATOM 0 HA GLU B 5 -0.965 0.702 -9.563 1.00 0.00 H new ATOM 0 HB2 GLU B 5 1.064 1.824 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.552 0.244 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.708 -0.185 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.317 0.189 -12.178 1.00 0.00 H new ATOM 1200 N SER B 6 -1.910 -0.035 -12.123 1.00 0.00 N ATOM 1201 CA SER B 6 -2.519 0.243 -13.413 1.00 0.00 C ATOM 1202 C SER B 6 -3.990 -0.179 -13.399 1.00 0.00 C ATOM 1203 O SER B 6 -4.639 -0.211 -14.442 1.00 0.00 O ATOM 1204 CB SER B 6 -1.772 -0.471 -14.541 1.00 0.00 C ATOM 1205 OG SER B 6 -2.490 -0.422 -15.770 1.00 0.00 O ATOM 0 H SER B 6 -2.353 -0.787 -11.595 1.00 0.00 H new ATOM 0 HA SER B 6 -2.457 1.316 -13.596 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.792 -0.012 -14.675 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.601 -1.511 -14.262 1.00 0.00 H new ATOM 0 HG SER B 6 -3.366 -0.010 -15.621 1.00 0.00 H new ATOM 1211 N SER B 7 -4.472 -0.493 -12.205 1.00 0.00 N ATOM 1212 CA SER B 7 -5.852 -0.911 -12.041 1.00 0.00 C ATOM 1213 C SER B 7 -6.109 -1.316 -10.587 1.00 0.00 C ATOM 1214 O SER B 7 -5.170 -1.591 -9.842 1.00 0.00 O ATOM 1215 CB SER B 7 -6.190 -2.071 -12.981 1.00 0.00 C ATOM 1216 OG SER B 7 -7.231 -2.894 -12.460 1.00 0.00 O ATOM 0 H SER B 7 -3.930 -0.466 -11.342 1.00 0.00 H new ATOM 0 HA SER B 7 -6.496 -0.070 -12.296 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.491 -1.676 -13.951 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.298 -2.675 -13.146 1.00 0.00 H new ATOM 0 HG SER B 7 -8.040 -2.356 -12.332 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.383 -1.336 -10.229 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.774 -1.701 -8.877 1.00 0.00 C ATOM 1224 C LEU B 8 -8.781 -2.852 -8.936 1.00 0.00 C ATOM 1225 O LEU B 8 -8.913 -3.614 -7.980 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.285 -0.475 -8.118 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.269 -0.576 -6.592 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.453 -1.400 -6.084 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.931 -1.128 -6.094 1.00 0.00 C ATOM 0 H LEU B 8 -8.158 -1.106 -10.850 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.912 -2.059 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.684 0.386 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.307 -0.274 -8.438 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.377 0.428 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.417 -1.456 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.385 -0.926 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.402 -2.406 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.945 -1.190 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.769 -2.122 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.124 -0.466 -6.409 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.465 -2.941 -10.067 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.457 -3.985 -10.261 1.00 0.00 C ATOM 1243 C GLU B 9 -9.776 -5.292 -10.679 1.00 0.00 C ATOM 1244 O GLU B 9 -8.802 -5.275 -11.431 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.506 -3.561 -11.290 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.010 -2.143 -11.007 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.365 -1.975 -9.529 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -11.465 -1.840 -8.686 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.628 -1.986 -9.266 1.00 0.00 O ATOM 0 H GLU B 9 -9.352 -2.307 -10.858 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.971 -4.151 -9.314 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.077 -3.605 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.343 -4.259 -11.270 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.245 -1.418 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.886 -1.935 -11.622 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.330 -6.419 -10.160 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.787 -7.731 -10.471 1.00 0.00 C ATOM 1259 C PRO B 10 -10.165 -8.158 -11.891 1.00 0.00 C ATOM 1260 O PRO B 10 -10.357 -9.343 -12.157 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.353 -8.654 -9.404 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.552 -7.926 -8.816 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.483 -6.476 -9.267 1.00 0.00 C ATOM 0 HA PRO B 10 -8.697 -7.749 -10.458 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.649 -9.611 -9.833 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.609 -8.865 -8.636 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.481 -8.387 -9.152 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.541 -7.988 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.397 -6.177 -9.781 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.360 -5.803 -8.418 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.258 -7.168 -12.767 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.609 -7.426 -14.153 1.00 0.00 C ATOM 1273 C TRP B 11 -9.620 -6.666 -15.040 1.00 0.00 C ATOM 1274 O TRP B 11 -9.236 -7.150 -16.104 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.067 -7.052 -14.428 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.854 -8.129 -15.178 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.483 -9.198 -14.667 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.073 -8.199 -16.603 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -14.087 -9.948 -15.656 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -13.829 -9.322 -16.870 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -12.643 -7.343 -17.632 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -14.224 -9.691 -18.161 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -13.045 -7.726 -18.917 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -13.809 -8.852 -19.203 1.00 0.00 C ATOM 0 H TRP B 11 -10.096 -6.186 -12.544 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.534 -8.490 -14.378 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.564 -6.847 -13.480 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.092 -6.129 -15.007 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -13.513 -9.441 -13.615 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.624 -10.805 -15.521 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -12.050 -6.460 -17.446 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -14.817 -10.575 -18.344 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -12.740 -7.103 -19.745 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -14.081 -9.079 -20.223 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.235 -5.488 -14.570 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.299 -4.658 -15.307 1.00 0.00 C ATOM 1297 C TYR B 12 -6.874 -4.837 -14.780 1.00 0.00 C ATOM 1298 O TYR B 12 -5.911 -4.741 -15.538 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.741 -3.212 -15.070 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.197 -2.936 -15.447 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -10.806 -3.679 -16.438 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.903 -1.943 -14.796 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.177 -3.419 -16.793 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -12.274 -1.685 -15.151 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.843 -2.434 -16.132 1.00 0.00 C ATOM 1306 OH TYR B 12 -14.138 -2.190 -16.468 1.00 0.00 O ATOM 0 H TYR B 12 -9.555 -5.089 -13.687 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.297 -4.927 -16.363 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.596 -2.967 -14.018 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.096 -2.547 -15.644 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.254 -4.455 -16.947 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -10.427 -1.361 -14.021 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.666 -3.993 -17.567 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -12.838 -0.913 -14.649 1.00 0.00 H new ATOM 0 HH TYR B 12 -14.488 -1.461 -15.914 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.783 -5.099 -13.449 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.492 -5.292 -12.810 1.00 0.00 C ATOM 1318 C PRO B 13 -4.909 -6.664 -13.156 1.00 0.00 C ATOM 1319 O PRO B 13 -3.717 -6.782 -13.440 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.757 -5.117 -11.325 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.256 -5.294 -11.146 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.902 -5.218 -12.519 1.00 0.00 C ATOM 0 HA PRO B 13 -4.742 -4.579 -13.153 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.204 -5.852 -10.740 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.436 -4.132 -10.984 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.473 -6.252 -10.674 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.656 -4.519 -10.492 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.497 -6.108 -12.727 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.572 -4.362 -12.594 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.775 -7.665 -13.122 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.361 -9.023 -13.428 1.00 0.00 C ATOM 1332 C ASP B 14 -6.599 -9.880 -13.703 1.00 0.00 C ATOM 1333 O ASP B 14 -7.351 -9.608 -14.639 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.607 -9.648 -12.252 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.715 -11.171 -12.150 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -4.709 -11.881 -13.167 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.807 -11.631 -10.949 1.00 0.00 O ATOM 0 H ASP B 14 -6.762 -7.563 -12.887 1.00 0.00 H new ATOM 0 HA ASP B 14 -4.706 -8.987 -14.299 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.554 -9.378 -12.331 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -4.980 -9.210 -11.326 1.00 0.00 H new TER 1343 ASP B 14