USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 567 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 27 MET CE :methyl 143:sc= -2.72 (180deg=-3.77!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 140:sc= -1.75 (180deg=-2.57!) USER MOD Set 2.1: A 5 THR OG1 : rot -32:sc= 1.64 USER MOD Set 2.2: A 8 THR OG1 : rot 41:sc= 0.395 USER MOD Set 2.3: A 9 SER OG : rot 41:sc= 0.372 USER MOD Single : A 1 ILE N :NH3+ -121:sc= -1.83! (180deg=-2.24) USER MOD Single : A 4 HIS : no HD1:sc= -18.5! C(o=-18!,f=-17!) USER MOD Single : A 6 THR OG1 : rot 62:sc= -5.08! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 21 ASN : amide:sc= -2.37! K(o=-2.4!,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.189) 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 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -86:sc= 1.21 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 85:sc= 0.591 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -7.59! C(o=-7.6!,f=-9.7!) USER MOD Single : A 68 HIS : no HD1:sc= -9.37! C(o=-9.4!,f=-7.4!) USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= -2.18! (180deg=-4.27!) USER MOD Single : A 71 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.61) USER MOD Single : B 3 TYR OH : rot 30:sc= -2.09! USER MOD Single : B 4 TYR OH : rot 180:sc= -3.91! USER MOD Single : B 6 SER OG : rot -42:sc= 0.24 USER MOD Single : B 7 SER OG : rot 180:sc= -0.588 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 9.360 14.168 -1.487 1.00 0.00 N ATOM 2 CA ILE A 1 8.005 14.319 -2.092 1.00 0.00 C ATOM 3 C ILE A 1 6.947 13.688 -1.184 1.00 0.00 C ATOM 4 O ILE A 1 7.174 13.464 -0.012 1.00 0.00 O ATOM 5 CB ILE A 1 8.080 13.573 -3.425 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.499 12.123 -3.174 1.00 0.00 C ATOM 7 CG2 ILE A 1 9.108 14.251 -4.332 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.336 11.314 -4.463 1.00 0.00 C ATOM 0 H1 ILE A 1 9.782 15.107 -1.343 1.00 0.00 H new ATOM 0 H2 ILE A 1 9.279 13.680 -0.572 1.00 0.00 H new ATOM 0 H3 ILE A 1 9.964 13.611 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 1 7.727 15.365 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 1 7.103 13.591 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.535 12.086 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.890 11.690 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 1 9.162 13.719 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.810 15.284 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 1 10.086 14.233 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.634 10.281 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.293 11.341 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.964 11.743 -5.244 1.00 0.00 H new ATOM 22 N VAL A 2 5.791 13.401 -1.717 1.00 0.00 N ATOM 23 CA VAL A 2 4.717 12.784 -0.886 1.00 0.00 C ATOM 24 C VAL A 2 4.287 11.450 -1.485 1.00 0.00 C ATOM 25 O VAL A 2 4.451 11.204 -2.663 1.00 0.00 O ATOM 26 CB VAL A 2 3.556 13.768 -0.941 1.00 0.00 C ATOM 27 CG1 VAL A 2 2.539 13.423 0.143 1.00 0.00 C ATOM 28 CG2 VAL A 2 4.077 15.187 -0.723 1.00 0.00 C ATOM 0 H VAL A 2 5.543 13.567 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 2 5.052 12.593 0.133 1.00 0.00 H new ATOM 0 HB VAL A 2 3.076 13.706 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.709 14.129 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.164 12.412 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.016 13.481 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.245 15.890 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.560 15.251 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.798 15.434 -1.502 1.00 0.00 H new ATOM 38 N CYS A 3 3.740 10.587 -0.682 1.00 0.00 N ATOM 39 CA CYS A 3 3.303 9.265 -1.203 1.00 0.00 C ATOM 40 C CYS A 3 1.974 8.848 -0.570 1.00 0.00 C ATOM 41 O CYS A 3 1.601 9.332 0.477 1.00 0.00 O ATOM 42 CB CYS A 3 4.406 8.304 -0.792 1.00 0.00 C ATOM 43 SG CYS A 3 6.025 9.061 -1.089 1.00 0.00 S ATOM 0 H CYS A 3 3.576 10.739 0.313 1.00 0.00 H new ATOM 0 HA CYS A 3 3.145 9.281 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.303 8.047 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.320 7.375 -1.356 1.00 0.00 H new ATOM 48 N HIS A 4 1.267 7.936 -1.186 1.00 0.00 N ATOM 49 CA HIS A 4 -0.032 7.486 -0.602 1.00 0.00 C ATOM 50 C HIS A 4 0.184 6.275 0.286 1.00 0.00 C ATOM 51 O HIS A 4 1.093 5.499 0.074 1.00 0.00 O ATOM 52 CB HIS A 4 -0.908 7.094 -1.772 1.00 0.00 C ATOM 53 CG HIS A 4 -0.799 8.117 -2.862 1.00 0.00 C ATOM 54 ND1 HIS A 4 -0.864 9.470 -2.597 1.00 0.00 N ATOM 55 CD2 HIS A 4 -0.638 8.005 -4.219 1.00 0.00 C ATOM 56 CE1 HIS A 4 -0.740 10.120 -3.767 1.00 0.00 C ATOM 57 NE2 HIS A 4 -0.600 9.274 -4.791 1.00 0.00 N ATOM 0 H HIS A 4 1.531 7.486 -2.063 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.483 8.274 0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.609 6.116 -2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.945 7.007 -1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.554 7.075 -4.761 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -0.752 11.195 -3.867 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.489 9.507 -5.778 1.00 0.00 H new ATOM 65 N THR A 5 -0.646 6.081 1.267 1.00 0.00 N ATOM 66 CA THR A 5 -0.457 4.894 2.126 1.00 0.00 C ATOM 67 C THR A 5 -1.693 4.016 2.093 1.00 0.00 C ATOM 68 O THR A 5 -2.739 4.341 2.620 1.00 0.00 O ATOM 69 CB THR A 5 -0.214 5.389 3.543 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.421 5.310 4.283 1.00 0.00 O ATOM 71 CG2 THR A 5 0.312 6.829 3.548 1.00 0.00 C ATOM 0 H THR A 5 -1.433 6.684 1.506 1.00 0.00 H new ATOM 0 HA THR A 5 0.387 4.302 1.772 1.00 0.00 H new ATOM 0 HB THR A 5 0.544 4.756 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.182 5.463 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.475 7.153 4.576 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.253 6.875 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.418 7.485 3.073 1.00 0.00 H new ATOM 79 N THR A 6 -1.550 2.894 1.499 1.00 0.00 N ATOM 80 CA THR A 6 -2.667 1.921 1.436 1.00 0.00 C ATOM 81 C THR A 6 -2.542 0.970 2.626 1.00 0.00 C ATOM 82 O THR A 6 -3.448 0.228 2.949 1.00 0.00 O ATOM 83 CB THR A 6 -2.449 1.155 0.129 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.113 1.338 -0.300 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.400 1.672 -0.946 1.00 0.00 C ATOM 0 H THR A 6 -0.691 2.591 1.040 1.00 0.00 H new ATOM 0 HA THR A 6 -3.650 2.390 1.469 1.00 0.00 H new ATOM 0 HB THR A 6 -2.644 0.096 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.501 0.972 0.372 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.237 1.121 -1.872 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.430 1.533 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.213 2.732 -1.117 1.00 0.00 H new ATOM 93 N ALA A 7 -1.390 0.961 3.249 1.00 0.00 N ATOM 94 CA ALA A 7 -1.153 0.032 4.387 1.00 0.00 C ATOM 95 C ALA A 7 -1.480 0.653 5.751 1.00 0.00 C ATOM 96 O ALA A 7 -1.998 -0.012 6.626 1.00 0.00 O ATOM 97 CB ALA A 7 0.331 -0.313 4.282 1.00 0.00 C ATOM 0 H ALA A 7 -0.601 1.563 3.014 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.804 -0.840 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.603 -0.998 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.528 -0.785 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.923 0.598 4.367 1.00 0.00 H new ATOM 103 N THR A 8 -1.176 1.902 5.959 1.00 0.00 N ATOM 104 CA THR A 8 -1.472 2.513 7.289 1.00 0.00 C ATOM 105 C THR A 8 -2.787 3.291 7.221 1.00 0.00 C ATOM 106 O THR A 8 -3.854 2.710 7.201 1.00 0.00 O ATOM 107 CB THR A 8 -0.291 3.443 7.569 1.00 0.00 C ATOM 108 OG1 THR A 8 0.104 4.081 6.362 1.00 0.00 O ATOM 109 CG2 THR A 8 0.879 2.631 8.126 1.00 0.00 C ATOM 0 H THR A 8 -0.740 2.523 5.277 1.00 0.00 H new ATOM 0 HA THR A 8 -1.588 1.770 8.078 1.00 0.00 H new ATOM 0 HB THR A 8 -0.587 4.197 8.299 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.692 4.347 5.857 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.720 3.295 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.575 2.143 9.052 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.177 1.876 7.398 1.00 0.00 H new ATOM 117 N SER A 9 -2.736 4.592 7.163 1.00 0.00 N ATOM 118 CA SER A 9 -4.004 5.361 7.071 1.00 0.00 C ATOM 119 C SER A 9 -4.624 5.085 5.705 1.00 0.00 C ATOM 120 O SER A 9 -4.000 4.462 4.869 1.00 0.00 O ATOM 121 CB SER A 9 -3.596 6.830 7.200 1.00 0.00 C ATOM 122 OG SER A 9 -2.313 7.017 6.617 1.00 0.00 O ATOM 0 H SER A 9 -1.882 5.149 7.175 1.00 0.00 H new ATOM 0 HA SER A 9 -4.733 5.094 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.329 7.467 6.705 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.577 7.123 8.250 1.00 0.00 H new ATOM 0 HG SER A 9 -2.252 6.499 5.787 1.00 0.00 H new ATOM 128 N PRO A 10 -5.825 5.542 5.505 1.00 0.00 N ATOM 129 CA PRO A 10 -6.487 5.310 4.207 1.00 0.00 C ATOM 130 C PRO A 10 -5.735 6.017 3.095 1.00 0.00 C ATOM 131 O PRO A 10 -5.143 7.058 3.295 1.00 0.00 O ATOM 132 CB PRO A 10 -7.883 5.879 4.397 1.00 0.00 C ATOM 133 CG PRO A 10 -7.743 6.860 5.518 1.00 0.00 C ATOM 134 CD PRO A 10 -6.669 6.312 6.424 1.00 0.00 C ATOM 0 HA PRO A 10 -6.514 4.259 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.240 6.364 3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.600 5.096 4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.469 7.845 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.685 6.975 6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.110 7.108 6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.086 5.684 7.211 1.00 0.00 H new ATOM 142 N ILE A 11 -5.740 5.433 1.933 1.00 0.00 N ATOM 143 CA ILE A 11 -5.015 6.026 0.783 1.00 0.00 C ATOM 144 C ILE A 11 -5.063 7.545 0.839 1.00 0.00 C ATOM 145 O ILE A 11 -6.086 8.174 0.656 1.00 0.00 O ATOM 146 CB ILE A 11 -5.680 5.454 -0.477 1.00 0.00 C ATOM 147 CG1 ILE A 11 -4.598 4.727 -1.273 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.298 6.561 -1.340 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.083 4.460 -2.697 1.00 0.00 C ATOM 0 H ILE A 11 -6.223 4.558 1.730 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.955 5.774 0.792 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.486 4.779 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.688 5.327 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.346 3.786 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.760 6.119 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.054 7.093 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.520 7.259 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.304 3.941 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.980 3.841 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.312 5.406 -3.187 1.00 0.00 H new ATOM 161 N SER A 12 -3.936 8.113 1.094 1.00 0.00 N ATOM 162 CA SER A 12 -3.817 9.585 1.182 1.00 0.00 C ATOM 163 C SER A 12 -2.353 9.937 1.009 1.00 0.00 C ATOM 164 O SER A 12 -1.484 9.206 1.455 1.00 0.00 O ATOM 165 CB SER A 12 -4.303 9.951 2.573 1.00 0.00 C ATOM 166 OG SER A 12 -5.438 10.800 2.468 1.00 0.00 O ATOM 0 H SER A 12 -3.064 7.608 1.250 1.00 0.00 H new ATOM 0 HA SER A 12 -4.393 10.117 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.560 9.050 3.129 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.510 10.453 3.127 1.00 0.00 H new ATOM 0 HG SER A 12 -5.754 11.036 3.365 1.00 0.00 H new ATOM 172 N ALA A 13 -2.059 11.016 0.348 1.00 0.00 N ATOM 173 CA ALA A 13 -0.634 11.364 0.138 1.00 0.00 C ATOM 174 C ALA A 13 -0.119 12.304 1.208 1.00 0.00 C ATOM 175 O ALA A 13 -0.695 13.337 1.486 1.00 0.00 O ATOM 176 CB ALA A 13 -0.566 12.064 -1.204 1.00 0.00 C ATOM 0 H ALA A 13 -2.736 11.666 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.021 10.463 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.465 12.346 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.925 11.392 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.189 12.958 -1.180 1.00 0.00 H new ATOM 182 N VAL A 14 0.996 11.973 1.770 1.00 0.00 N ATOM 183 CA VAL A 14 1.605 12.857 2.781 1.00 0.00 C ATOM 184 C VAL A 14 3.105 12.636 2.772 1.00 0.00 C ATOM 185 O VAL A 14 3.593 11.542 2.543 1.00 0.00 O ATOM 186 CB VAL A 14 0.997 12.494 4.150 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.411 11.941 3.967 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.869 11.456 4.869 1.00 0.00 C ATOM 0 H VAL A 14 1.517 11.119 1.570 1.00 0.00 H new ATOM 0 HA VAL A 14 1.410 13.908 2.570 1.00 0.00 H new ATOM 0 HB VAL A 14 0.953 13.398 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.832 11.688 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.037 12.692 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.373 11.047 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.424 11.212 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.936 10.553 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.868 11.864 5.023 1.00 0.00 H new ATOM 198 N THR A 15 3.826 13.665 3.018 1.00 0.00 N ATOM 199 CA THR A 15 5.304 13.543 3.050 1.00 0.00 C ATOM 200 C THR A 15 5.703 12.596 4.185 1.00 0.00 C ATOM 201 O THR A 15 5.296 12.772 5.317 1.00 0.00 O ATOM 202 CB THR A 15 5.804 14.951 3.333 1.00 0.00 C ATOM 203 OG1 THR A 15 4.931 15.894 2.728 1.00 0.00 O ATOM 204 CG2 THR A 15 7.212 15.110 2.762 1.00 0.00 C ATOM 0 H THR A 15 3.463 14.600 3.202 1.00 0.00 H new ATOM 0 HA THR A 15 5.720 13.145 2.124 1.00 0.00 H new ATOM 0 HB THR A 15 5.828 15.123 4.409 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.252 16.802 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.574 16.118 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.878 14.385 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.189 14.940 1.686 1.00 0.00 H new ATOM 212 N CYS A 16 6.474 11.586 3.899 1.00 0.00 N ATOM 213 CA CYS A 16 6.865 10.629 4.977 1.00 0.00 C ATOM 214 C CYS A 16 7.923 11.230 5.908 1.00 0.00 C ATOM 215 O CYS A 16 8.803 11.949 5.478 1.00 0.00 O ATOM 216 CB CYS A 16 7.423 9.409 4.252 1.00 0.00 C ATOM 217 SG CYS A 16 6.438 7.959 4.698 1.00 0.00 S ATOM 0 H CYS A 16 6.850 11.380 2.973 1.00 0.00 H new ATOM 0 HA CYS A 16 6.013 10.379 5.609 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.395 9.566 3.174 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.467 9.254 4.525 1.00 0.00 H new ATOM 222 N PRO A 17 7.789 10.896 7.167 1.00 0.00 N ATOM 223 CA PRO A 17 8.731 11.384 8.203 1.00 0.00 C ATOM 224 C PRO A 17 10.095 10.652 8.188 1.00 0.00 C ATOM 225 O PRO A 17 11.079 11.228 8.606 1.00 0.00 O ATOM 226 CB PRO A 17 7.994 11.109 9.511 1.00 0.00 C ATOM 227 CG PRO A 17 7.050 9.989 9.209 1.00 0.00 C ATOM 228 CD PRO A 17 6.736 10.044 7.735 1.00 0.00 C ATOM 0 HA PRO A 17 8.984 12.432 8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.690 10.833 10.303 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.457 11.994 9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.497 9.030 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.139 10.087 9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.747 9.049 7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.746 10.463 7.555 1.00 0.00 H new ATOM 236 N PRO A 18 10.141 9.410 7.738 1.00 0.00 N ATOM 237 CA PRO A 18 11.436 8.679 7.738 1.00 0.00 C ATOM 238 C PRO A 18 12.398 9.258 6.697 1.00 0.00 C ATOM 239 O PRO A 18 12.260 10.386 6.268 1.00 0.00 O ATOM 240 CB PRO A 18 11.049 7.242 7.406 1.00 0.00 C ATOM 241 CG PRO A 18 9.753 7.349 6.677 1.00 0.00 C ATOM 242 CD PRO A 18 9.053 8.579 7.197 1.00 0.00 C ATOM 0 HA PRO A 18 11.962 8.756 8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.809 6.761 6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.945 6.643 8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.920 7.426 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.144 6.460 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.513 9.096 6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.323 8.327 7.967 1.00 0.00 H new ATOM 250 N GLY A 19 13.389 8.500 6.306 1.00 0.00 N ATOM 251 CA GLY A 19 14.376 9.017 5.317 1.00 0.00 C ATOM 252 C GLY A 19 14.053 8.518 3.907 1.00 0.00 C ATOM 253 O GLY A 19 14.942 8.219 3.134 1.00 0.00 O ATOM 0 H GLY A 19 13.556 7.547 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.373 10.107 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.379 8.698 5.599 1.00 0.00 H new ATOM 257 N GLU A 20 12.801 8.439 3.546 1.00 0.00 N ATOM 258 CA GLU A 20 12.463 7.980 2.180 1.00 0.00 C ATOM 259 C GLU A 20 12.899 9.047 1.168 1.00 0.00 C ATOM 260 O GLU A 20 12.898 10.228 1.457 1.00 0.00 O ATOM 261 CB GLU A 20 10.935 7.816 2.204 1.00 0.00 C ATOM 262 CG GLU A 20 10.328 8.286 0.880 1.00 0.00 C ATOM 263 CD GLU A 20 10.214 9.812 0.882 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.920 10.363 1.930 1.00 0.00 O ATOM 265 OE2 GLU A 20 10.422 10.403 -0.165 1.00 0.00 O ATOM 0 H GLU A 20 12.005 8.673 4.139 1.00 0.00 H new ATOM 0 HA GLU A 20 12.959 7.053 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.678 6.771 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.514 8.391 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.950 7.959 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.344 7.838 0.740 1.00 0.00 H new ATOM 272 N ASN A 21 13.248 8.642 -0.017 1.00 0.00 N ATOM 273 CA ASN A 21 13.656 9.626 -1.053 1.00 0.00 C ATOM 274 C ASN A 21 12.526 9.739 -2.070 1.00 0.00 C ATOM 275 O ASN A 21 12.387 10.724 -2.767 1.00 0.00 O ATOM 276 CB ASN A 21 14.913 9.037 -1.696 1.00 0.00 C ATOM 277 CG ASN A 21 16.142 9.418 -0.867 1.00 0.00 C ATOM 278 OD1 ASN A 21 17.242 9.475 -1.380 1.00 0.00 O ATOM 279 ND2 ASN A 21 16.001 9.685 0.403 1.00 0.00 N ATOM 0 H ASN A 21 13.268 7.667 -0.315 1.00 0.00 H new ATOM 0 HA ASN A 21 13.854 10.621 -0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.827 7.952 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.020 9.408 -2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.814 9.941 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.078 9.638 0.835 1.00 0.00 H new ATOM 286 N LEU A 22 11.711 8.724 -2.141 1.00 0.00 N ATOM 287 CA LEU A 22 10.569 8.737 -3.089 1.00 0.00 C ATOM 288 C LEU A 22 9.434 7.875 -2.547 1.00 0.00 C ATOM 289 O LEU A 22 9.409 7.513 -1.388 1.00 0.00 O ATOM 290 CB LEU A 22 11.113 8.130 -4.378 1.00 0.00 C ATOM 291 CG LEU A 22 11.590 6.700 -4.117 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.789 5.722 -4.984 1.00 0.00 C ATOM 293 CD2 LEU A 22 13.074 6.593 -4.471 1.00 0.00 C ATOM 0 H LEU A 22 11.791 7.879 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 22 10.175 9.741 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.339 8.131 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.937 8.735 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 22 11.442 6.454 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.131 4.704 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.730 5.800 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.935 5.965 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.420 5.576 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.216 6.840 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.646 7.287 -3.855 1.00 0.00 H new ATOM 305 N CYS A 23 8.500 7.536 -3.382 1.00 0.00 N ATOM 306 CA CYS A 23 7.370 6.692 -2.936 1.00 0.00 C ATOM 307 C CYS A 23 7.543 5.283 -3.483 1.00 0.00 C ATOM 308 O CYS A 23 8.502 4.991 -4.169 1.00 0.00 O ATOM 309 CB CYS A 23 6.148 7.351 -3.541 1.00 0.00 C ATOM 310 SG CYS A 23 6.150 9.101 -3.101 1.00 0.00 S ATOM 0 H CYS A 23 8.472 7.811 -4.364 1.00 0.00 H new ATOM 0 HA CYS A 23 7.298 6.611 -1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.155 7.235 -4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.241 6.871 -3.175 1.00 0.00 H new ATOM 315 N TYR A 24 6.630 4.405 -3.207 1.00 0.00 N ATOM 316 CA TYR A 24 6.782 3.032 -3.733 1.00 0.00 C ATOM 317 C TYR A 24 5.461 2.292 -3.749 1.00 0.00 C ATOM 318 O TYR A 24 4.649 2.439 -2.872 1.00 0.00 O ATOM 319 CB TYR A 24 7.756 2.337 -2.785 1.00 0.00 C ATOM 320 CG TYR A 24 7.042 1.950 -1.514 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.230 0.812 -1.497 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.188 2.724 -0.361 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.562 0.445 -0.323 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.520 2.360 0.815 1.00 0.00 C ATOM 325 CZ TYR A 24 5.707 1.220 0.834 1.00 0.00 C ATOM 326 OH TYR A 24 5.048 0.860 1.992 1.00 0.00 O ATOM 0 H TYR A 24 5.795 4.576 -2.647 1.00 0.00 H new ATOM 0 HA TYR A 24 7.141 3.048 -4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.173 1.451 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.591 2.999 -2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.118 0.216 -2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.816 3.603 -0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.936 -0.435 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.632 2.958 1.707 1.00 0.00 H new ATOM 0 HH TYR A 24 5.257 1.503 2.701 1.00 0.00 H new ATOM 336 N ARG A 25 5.264 1.469 -4.724 1.00 0.00 N ATOM 337 CA ARG A 25 4.006 0.680 -4.778 1.00 0.00 C ATOM 338 C ARG A 25 4.348 -0.796 -4.568 1.00 0.00 C ATOM 339 O ARG A 25 5.034 -1.392 -5.372 1.00 0.00 O ATOM 340 CB ARG A 25 3.452 0.906 -6.184 1.00 0.00 C ATOM 341 CG ARG A 25 3.380 2.407 -6.471 1.00 0.00 C ATOM 342 CD ARG A 25 2.370 2.665 -7.590 1.00 0.00 C ATOM 343 NE ARG A 25 3.157 3.317 -8.673 1.00 0.00 N ATOM 344 CZ ARG A 25 3.486 2.638 -9.738 1.00 0.00 C ATOM 345 NH1 ARG A 25 2.605 1.870 -10.319 1.00 0.00 N ATOM 346 NH2 ARG A 25 4.694 2.726 -10.223 1.00 0.00 N ATOM 0 H ARG A 25 5.917 1.304 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 25 3.284 0.972 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.088 0.415 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.461 0.461 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.087 2.946 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.362 2.780 -6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.917 1.736 -7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.558 3.308 -7.249 1.00 0.00 H new ATOM 0 HE ARG A 25 3.439 4.293 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.660 1.801 -9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.861 1.339 -11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.383 3.326 -9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.949 2.195 -11.055 1.00 0.00 H new ATOM 360 N LYS A 26 3.896 -1.403 -3.504 1.00 0.00 N ATOM 361 CA LYS A 26 4.242 -2.832 -3.300 1.00 0.00 C ATOM 362 C LYS A 26 3.022 -3.710 -3.475 1.00 0.00 C ATOM 363 O LYS A 26 1.914 -3.248 -3.667 1.00 0.00 O ATOM 364 CB LYS A 26 4.767 -2.952 -1.867 1.00 0.00 C ATOM 365 CG LYS A 26 6.243 -3.346 -1.905 1.00 0.00 C ATOM 366 CD LYS A 26 6.736 -3.628 -0.485 1.00 0.00 C ATOM 367 CE LYS A 26 6.401 -2.440 0.419 1.00 0.00 C ATOM 368 NZ LYS A 26 7.079 -2.736 1.712 1.00 0.00 N ATOM 0 H LYS A 26 3.314 -0.979 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 26 4.985 -3.156 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.644 -2.005 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.193 -3.698 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.378 -4.229 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.832 -2.546 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.269 -4.534 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.812 -3.802 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.760 -1.504 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.324 -2.337 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.568 -2.268 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.086 -3.763 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.057 -2.384 1.680 1.00 0.00 H new ATOM 382 N MET A 27 3.232 -4.980 -3.399 1.00 0.00 N ATOM 383 CA MET A 27 2.117 -5.936 -3.544 1.00 0.00 C ATOM 384 C MET A 27 2.556 -7.280 -3.013 1.00 0.00 C ATOM 385 O MET A 27 3.726 -7.608 -3.006 1.00 0.00 O ATOM 386 CB MET A 27 1.825 -5.999 -5.041 1.00 0.00 C ATOM 387 CG MET A 27 0.415 -5.474 -5.311 1.00 0.00 C ATOM 388 SD MET A 27 0.458 -4.338 -6.720 1.00 0.00 S ATOM 389 CE MET A 27 -0.205 -5.483 -7.954 1.00 0.00 C ATOM 0 H MET A 27 4.145 -5.406 -3.240 1.00 0.00 H new ATOM 0 HA MET A 27 1.226 -5.641 -2.991 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.556 -5.405 -5.590 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.916 -7.025 -5.397 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.261 -6.304 -5.519 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.030 -4.963 -4.429 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.854 -4.941 -8.641 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.617 -5.934 -8.510 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.777 -6.265 -7.455 1.00 0.00 H new ATOM 399 N TRP A 28 1.639 -8.045 -2.528 1.00 0.00 N ATOM 400 CA TRP A 28 2.027 -9.346 -1.953 1.00 0.00 C ATOM 401 C TRP A 28 0.807 -10.265 -1.813 1.00 0.00 C ATOM 402 O TRP A 28 0.419 -10.947 -2.738 1.00 0.00 O ATOM 403 CB TRP A 28 2.616 -8.976 -0.586 1.00 0.00 C ATOM 404 CG TRP A 28 1.981 -7.732 0.007 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.647 -7.485 0.123 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.649 -6.571 0.585 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.469 -6.272 0.765 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.670 -5.669 1.059 1.00 0.00 C ATOM 409 CE3 TRP A 28 3.997 -6.223 0.747 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.019 -4.468 1.677 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.354 -5.013 1.365 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.366 -4.139 1.832 1.00 0.00 C ATOM 0 H TRP A 28 0.642 -7.830 -2.504 1.00 0.00 H new ATOM 0 HA TRP A 28 2.734 -9.896 -2.574 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.481 -9.811 0.101 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.690 -8.818 -0.688 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.144 -8.131 -0.229 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.442 -5.874 0.993 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.768 -6.891 0.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.251 -3.797 2.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.397 -4.756 1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.645 -3.212 2.311 1.00 0.00 H new ATOM 423 N CYS A 29 0.202 -10.283 -0.667 1.00 0.00 N ATOM 424 CA CYS A 29 -0.999 -11.134 -0.455 1.00 0.00 C ATOM 425 C CYS A 29 -1.589 -10.825 0.923 1.00 0.00 C ATOM 426 O CYS A 29 -0.874 -10.706 1.897 1.00 0.00 O ATOM 427 CB CYS A 29 -0.489 -12.569 -0.520 1.00 0.00 C ATOM 428 SG CYS A 29 -1.787 -13.695 0.048 1.00 0.00 S ATOM 0 H CYS A 29 0.490 -9.738 0.146 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.781 -10.961 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.198 -12.817 -1.541 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.400 -12.679 0.101 1.00 0.00 H new ATOM 433 N ASP A 30 -2.881 -10.680 1.016 1.00 0.00 N ATOM 434 CA ASP A 30 -3.493 -10.363 2.340 1.00 0.00 C ATOM 435 C ASP A 30 -3.971 -11.643 3.029 1.00 0.00 C ATOM 436 O ASP A 30 -4.891 -12.293 2.576 1.00 0.00 O ATOM 437 CB ASP A 30 -4.677 -9.449 2.024 1.00 0.00 C ATOM 438 CG ASP A 30 -5.029 -8.621 3.260 1.00 0.00 C ATOM 439 OD1 ASP A 30 -4.305 -7.682 3.546 1.00 0.00 O ATOM 440 OD2 ASP A 30 -6.018 -8.939 3.901 1.00 0.00 O ATOM 0 H ASP A 30 -3.537 -10.766 0.240 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.782 -9.889 3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.429 -8.791 1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.537 -10.044 1.715 1.00 0.00 H new ATOM 445 N ALA A 31 -3.354 -12.007 4.122 1.00 0.00 N ATOM 446 CA ALA A 31 -3.774 -13.246 4.840 1.00 0.00 C ATOM 447 C ALA A 31 -3.888 -14.410 3.853 1.00 0.00 C ATOM 448 O ALA A 31 -2.937 -15.126 3.610 1.00 0.00 O ATOM 449 CB ALA A 31 -5.141 -12.913 5.440 1.00 0.00 C ATOM 0 H ALA A 31 -2.578 -11.500 4.548 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.058 -13.546 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.519 -13.777 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.043 -12.068 6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.836 -12.657 4.641 1.00 0.00 H new ATOM 455 N PHE A 32 -5.042 -14.598 3.275 1.00 0.00 N ATOM 456 CA PHE A 32 -5.213 -15.705 2.296 1.00 0.00 C ATOM 457 C PHE A 32 -5.281 -15.129 0.882 1.00 0.00 C ATOM 458 O PHE A 32 -6.271 -14.543 0.490 1.00 0.00 O ATOM 459 CB PHE A 32 -6.538 -16.368 2.674 1.00 0.00 C ATOM 460 CG PHE A 32 -6.266 -17.646 3.431 1.00 0.00 C ATOM 461 CD1 PHE A 32 -5.482 -17.620 4.591 1.00 0.00 C ATOM 462 CD2 PHE A 32 -6.798 -18.857 2.973 1.00 0.00 C ATOM 463 CE1 PHE A 32 -5.230 -18.806 5.292 1.00 0.00 C ATOM 464 CE2 PHE A 32 -6.547 -20.042 3.674 1.00 0.00 C ATOM 465 CZ PHE A 32 -5.763 -20.016 4.834 1.00 0.00 C ATOM 0 H PHE A 32 -5.874 -14.032 3.439 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.388 -16.417 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.134 -15.691 3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.119 -16.581 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.072 -16.686 4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.402 -18.877 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.624 -18.787 6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.958 -20.976 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.570 -20.930 5.375 1.00 0.00 H new ATOM 475 N CYS A 33 -4.233 -15.280 0.118 1.00 0.00 N ATOM 476 CA CYS A 33 -4.238 -14.729 -1.269 1.00 0.00 C ATOM 477 C CYS A 33 -5.594 -14.990 -1.929 1.00 0.00 C ATOM 478 O CYS A 33 -5.849 -16.060 -2.445 1.00 0.00 O ATOM 479 CB CYS A 33 -3.128 -15.475 -2.013 1.00 0.00 C ATOM 480 SG CYS A 33 -1.562 -15.333 -1.111 1.00 0.00 S ATOM 0 H CYS A 33 -3.376 -15.760 0.393 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.073 -13.652 -1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.398 -16.525 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.016 -15.066 -3.017 1.00 0.00 H new ATOM 485 N SER A 34 -6.467 -14.022 -1.909 1.00 0.00 N ATOM 486 CA SER A 34 -7.811 -14.217 -2.526 1.00 0.00 C ATOM 487 C SER A 34 -7.695 -14.309 -4.051 1.00 0.00 C ATOM 488 O SER A 34 -6.636 -14.119 -4.616 1.00 0.00 O ATOM 489 CB SER A 34 -8.614 -12.981 -2.124 1.00 0.00 C ATOM 490 OG SER A 34 -9.456 -13.305 -1.026 1.00 0.00 O ATOM 0 H SER A 34 -6.309 -13.104 -1.493 1.00 0.00 H new ATOM 0 HA SER A 34 -8.284 -15.140 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.941 -12.168 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.212 -12.632 -2.966 1.00 0.00 H new ATOM 0 HG SER A 34 -9.971 -12.514 -0.764 1.00 0.00 H new ATOM 496 N SER A 35 -8.778 -14.602 -4.719 1.00 0.00 N ATOM 497 CA SER A 35 -8.737 -14.711 -6.206 1.00 0.00 C ATOM 498 C SER A 35 -8.529 -13.331 -6.832 1.00 0.00 C ATOM 499 O SER A 35 -8.327 -13.202 -8.024 1.00 0.00 O ATOM 500 CB SER A 35 -10.100 -15.276 -6.600 1.00 0.00 C ATOM 501 OG SER A 35 -10.101 -16.683 -6.402 1.00 0.00 O ATOM 0 H SER A 35 -9.692 -14.771 -4.298 1.00 0.00 H new ATOM 0 HA SER A 35 -7.918 -15.343 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.885 -14.813 -6.002 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.315 -15.044 -7.643 1.00 0.00 H new ATOM 0 HG SER A 35 -10.975 -17.048 -6.653 1.00 0.00 H new ATOM 507 N ARG A 36 -8.574 -12.297 -6.038 1.00 0.00 N ATOM 508 CA ARG A 36 -8.376 -10.925 -6.588 1.00 0.00 C ATOM 509 C ARG A 36 -6.882 -10.610 -6.689 1.00 0.00 C ATOM 510 O ARG A 36 -6.487 -9.473 -6.856 1.00 0.00 O ATOM 511 CB ARG A 36 -9.051 -9.993 -5.581 1.00 0.00 C ATOM 512 CG ARG A 36 -10.475 -10.478 -5.307 1.00 0.00 C ATOM 513 CD ARG A 36 -11.323 -10.313 -6.571 1.00 0.00 C ATOM 514 NE ARG A 36 -12.283 -11.451 -6.543 1.00 0.00 N ATOM 515 CZ ARG A 36 -13.339 -11.433 -7.309 1.00 0.00 C ATOM 516 NH1 ARG A 36 -14.237 -10.498 -7.160 1.00 0.00 N ATOM 517 NH2 ARG A 36 -13.496 -12.349 -8.225 1.00 0.00 N ATOM 0 H ARG A 36 -8.739 -12.342 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.795 -10.816 -7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.480 -9.969 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.071 -8.975 -5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.461 -11.524 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.912 -9.910 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.845 -9.356 -6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.704 -10.341 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.115 -12.245 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.113 -9.781 -6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.063 -10.484 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.793 -13.079 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.322 -12.335 -8.824 1.00 0.00 H new ATOM 531 N GLY A 37 -6.047 -11.608 -6.581 1.00 0.00 N ATOM 532 CA GLY A 37 -4.581 -11.363 -6.662 1.00 0.00 C ATOM 533 C GLY A 37 -4.073 -10.916 -5.293 1.00 0.00 C ATOM 534 O GLY A 37 -4.586 -11.323 -4.269 1.00 0.00 O ATOM 0 H GLY A 37 -6.318 -12.581 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.065 -12.270 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.368 -10.599 -7.410 1.00 0.00 H new ATOM 538 N LYS A 38 -3.087 -10.065 -5.261 1.00 0.00 N ATOM 539 CA LYS A 38 -2.572 -9.578 -3.959 1.00 0.00 C ATOM 540 C LYS A 38 -3.305 -8.299 -3.602 1.00 0.00 C ATOM 541 O LYS A 38 -4.433 -8.079 -3.994 1.00 0.00 O ATOM 542 CB LYS A 38 -1.092 -9.263 -4.187 1.00 0.00 C ATOM 543 CG LYS A 38 -0.448 -10.329 -5.079 1.00 0.00 C ATOM 544 CD LYS A 38 -0.432 -9.843 -6.530 1.00 0.00 C ATOM 545 CE LYS A 38 1.013 -9.752 -7.024 1.00 0.00 C ATOM 546 NZ LYS A 38 1.172 -8.346 -7.487 1.00 0.00 N ATOM 0 H LYS A 38 -2.617 -9.687 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.710 -10.306 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.990 -8.282 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.572 -9.218 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.568 -10.534 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.003 -11.264 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.000 -10.528 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.914 -8.868 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.718 -9.988 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.199 -10.458 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.109 -7.992 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.084 -8.310 -8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.434 -7.753 -7.056 1.00 0.00 H new ATOM 560 N VAL A 39 -2.645 -7.432 -2.911 1.00 0.00 N ATOM 561 CA VAL A 39 -3.261 -6.132 -2.572 1.00 0.00 C ATOM 562 C VAL A 39 -2.508 -5.063 -3.352 1.00 0.00 C ATOM 563 O VAL A 39 -2.022 -5.300 -4.439 1.00 0.00 O ATOM 564 CB VAL A 39 -3.047 -5.939 -1.064 1.00 0.00 C ATOM 565 CG1 VAL A 39 -4.143 -5.028 -0.508 1.00 0.00 C ATOM 566 CG2 VAL A 39 -3.100 -7.290 -0.342 1.00 0.00 C ATOM 0 H VAL A 39 -1.696 -7.567 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.322 -6.080 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.069 -5.487 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.993 -4.890 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.100 -4.061 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.118 -5.484 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.947 -7.138 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.073 -7.753 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.318 -7.942 -0.732 1.00 0.00 H new ATOM 576 N VAL A 40 -2.367 -3.915 -2.784 1.00 0.00 N ATOM 577 CA VAL A 40 -1.602 -2.832 -3.445 1.00 0.00 C ATOM 578 C VAL A 40 -1.225 -1.849 -2.364 1.00 0.00 C ATOM 579 O VAL A 40 -1.968 -0.947 -2.029 1.00 0.00 O ATOM 580 CB VAL A 40 -2.527 -2.200 -4.471 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.894 -0.903 -4.956 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.692 -3.151 -5.655 1.00 0.00 C ATOM 0 H VAL A 40 -2.755 -3.671 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.699 -3.179 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.502 -2.001 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.545 -0.434 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.757 -0.227 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.926 -1.118 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.355 -2.701 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.719 -3.340 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.120 -4.092 -5.309 1.00 0.00 H new ATOM 592 N GLU A 41 -0.103 -2.065 -1.767 1.00 0.00 N ATOM 593 CA GLU A 41 0.304 -1.200 -0.643 1.00 0.00 C ATOM 594 C GLU A 41 1.516 -0.344 -0.997 1.00 0.00 C ATOM 595 O GLU A 41 2.649 -0.733 -0.790 1.00 0.00 O ATOM 596 CB GLU A 41 0.632 -2.184 0.474 1.00 0.00 C ATOM 597 CG GLU A 41 -0.457 -3.258 0.543 1.00 0.00 C ATOM 598 CD GLU A 41 -1.026 -3.325 1.962 1.00 0.00 C ATOM 599 OE1 GLU A 41 -1.707 -2.390 2.350 1.00 0.00 O ATOM 600 OE2 GLU A 41 -0.770 -4.309 2.636 1.00 0.00 O ATOM 0 H GLU A 41 0.555 -2.806 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.474 -0.489 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.603 -2.646 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.701 -1.659 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.252 -3.030 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.045 -4.226 0.260 1.00 0.00 H new ATOM 607 N LEU A 42 1.284 0.830 -1.509 1.00 0.00 N ATOM 608 CA LEU A 42 2.421 1.725 -1.852 1.00 0.00 C ATOM 609 C LEU A 42 2.778 2.564 -0.626 1.00 0.00 C ATOM 610 O LEU A 42 2.363 2.273 0.479 1.00 0.00 O ATOM 611 CB LEU A 42 1.948 2.658 -2.985 1.00 0.00 C ATOM 612 CG LEU A 42 0.712 2.105 -3.701 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.547 2.707 -3.077 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.770 2.497 -5.175 1.00 0.00 C ATOM 0 H LEU A 42 0.357 1.208 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 42 3.293 1.150 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.720 3.642 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.755 2.793 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 42 0.689 1.020 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.428 2.315 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.591 2.444 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.521 3.792 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.107 2.106 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.788 3.583 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.671 2.082 -5.627 1.00 0.00 H new ATOM 626 N GLY A 43 3.527 3.615 -0.809 1.00 0.00 N ATOM 627 CA GLY A 43 3.879 4.477 0.362 1.00 0.00 C ATOM 628 C GLY A 43 5.206 5.202 0.116 1.00 0.00 C ATOM 629 O GLY A 43 5.460 5.700 -0.960 1.00 0.00 O ATOM 0 H GLY A 43 3.909 3.915 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.087 5.205 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.953 3.866 1.262 1.00 0.00 H new ATOM 633 N CYS A 44 6.043 5.292 1.115 1.00 0.00 N ATOM 634 CA CYS A 44 7.338 6.011 0.939 1.00 0.00 C ATOM 635 C CYS A 44 8.509 5.081 1.260 1.00 0.00 C ATOM 636 O CYS A 44 8.365 4.107 1.972 1.00 0.00 O ATOM 637 CB CYS A 44 7.329 7.196 1.923 1.00 0.00 C ATOM 638 SG CYS A 44 5.810 7.245 2.921 1.00 0.00 S ATOM 0 H CYS A 44 5.886 4.900 2.043 1.00 0.00 H new ATOM 0 HA CYS A 44 7.453 6.352 -0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.194 7.125 2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.428 8.129 1.368 1.00 0.00 H new ATOM 643 N ALA A 45 9.673 5.375 0.745 1.00 0.00 N ATOM 644 CA ALA A 45 10.847 4.515 1.024 1.00 0.00 C ATOM 645 C ALA A 45 12.120 5.184 0.507 1.00 0.00 C ATOM 646 O ALA A 45 12.096 5.925 -0.457 1.00 0.00 O ATOM 647 CB ALA A 45 10.575 3.211 0.273 1.00 0.00 C ATOM 0 H ALA A 45 9.856 6.177 0.142 1.00 0.00 H new ATOM 0 HA ALA A 45 10.991 4.342 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.403 2.520 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.653 2.763 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.475 3.419 -0.792 1.00 0.00 H new ATOM 653 N ALA A 46 13.232 4.932 1.137 1.00 0.00 N ATOM 654 CA ALA A 46 14.500 5.557 0.674 1.00 0.00 C ATOM 655 C ALA A 46 14.909 4.967 -0.679 1.00 0.00 C ATOM 656 O ALA A 46 15.636 5.573 -1.440 1.00 0.00 O ATOM 657 CB ALA A 46 15.532 5.209 1.748 1.00 0.00 C ATOM 0 H ALA A 46 13.318 4.322 1.950 1.00 0.00 H new ATOM 0 HA ALA A 46 14.407 6.635 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.497 5.637 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.211 5.616 2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.624 4.126 1.827 1.00 0.00 H new ATOM 663 N THR A 47 14.443 3.785 -0.979 1.00 0.00 N ATOM 664 CA THR A 47 14.796 3.144 -2.278 1.00 0.00 C ATOM 665 C THR A 47 13.946 1.888 -2.485 1.00 0.00 C ATOM 666 O THR A 47 13.796 1.083 -1.589 1.00 0.00 O ATOM 667 CB THR A 47 16.275 2.777 -2.151 1.00 0.00 C ATOM 668 OG1 THR A 47 16.761 2.331 -3.409 1.00 0.00 O ATOM 669 CG2 THR A 47 16.439 1.663 -1.115 1.00 0.00 C ATOM 0 H THR A 47 13.831 3.234 -0.378 1.00 0.00 H new ATOM 0 HA THR A 47 14.614 3.800 -3.130 1.00 0.00 H new ATOM 0 HB THR A 47 16.840 3.653 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.709 2.097 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.493 1.402 -1.025 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.067 2.006 -0.150 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.874 0.786 -1.431 1.00 0.00 H new ATOM 677 N CYS A 48 13.391 1.717 -3.657 1.00 0.00 N ATOM 678 CA CYS A 48 12.544 0.514 -3.927 1.00 0.00 C ATOM 679 C CYS A 48 13.154 -0.731 -3.269 1.00 0.00 C ATOM 680 O CYS A 48 14.019 -1.371 -3.834 1.00 0.00 O ATOM 681 CB CYS A 48 12.551 0.373 -5.450 1.00 0.00 C ATOM 682 SG CYS A 48 10.987 0.988 -6.126 1.00 0.00 S ATOM 0 H CYS A 48 13.488 2.361 -4.442 1.00 0.00 H new ATOM 0 HA CYS A 48 11.536 0.617 -3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 48 13.386 0.932 -5.873 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.693 -0.671 -5.728 1.00 0.00 H new ATOM 687 N PRO A 49 12.686 -1.022 -2.082 1.00 0.00 N ATOM 688 CA PRO A 49 13.183 -2.180 -1.313 1.00 0.00 C ATOM 689 C PRO A 49 12.302 -3.417 -1.536 1.00 0.00 C ATOM 690 O PRO A 49 11.375 -3.402 -2.322 1.00 0.00 O ATOM 691 CB PRO A 49 13.050 -1.695 0.127 1.00 0.00 C ATOM 692 CG PRO A 49 11.964 -0.648 0.109 1.00 0.00 C ATOM 693 CD PRO A 49 11.660 -0.304 -1.334 1.00 0.00 C ATOM 0 HA PRO A 49 14.192 -2.480 -1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.790 -2.517 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.990 -1.277 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.069 -1.021 0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.285 0.241 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.658 -0.624 -1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.714 0.770 -1.510 1.00 0.00 H new ATOM 701 N SER A 50 12.581 -4.481 -0.830 1.00 0.00 N ATOM 702 CA SER A 50 11.762 -5.724 -0.968 1.00 0.00 C ATOM 703 C SER A 50 11.722 -6.202 -2.422 1.00 0.00 C ATOM 704 O SER A 50 10.911 -7.029 -2.788 1.00 0.00 O ATOM 705 CB SER A 50 10.366 -5.323 -0.504 1.00 0.00 C ATOM 706 OG SER A 50 10.218 -5.639 0.874 1.00 0.00 O ATOM 0 H SER A 50 13.346 -4.544 -0.159 1.00 0.00 H new ATOM 0 HA SER A 50 12.176 -6.547 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.211 -4.256 -0.663 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.611 -5.846 -1.092 1.00 0.00 H new ATOM 0 HG SER A 50 9.922 -6.569 0.966 1.00 0.00 H new ATOM 712 N LYS A 51 12.586 -5.696 -3.253 1.00 0.00 N ATOM 713 CA LYS A 51 12.586 -6.134 -4.678 1.00 0.00 C ATOM 714 C LYS A 51 13.683 -7.176 -4.910 1.00 0.00 C ATOM 715 O LYS A 51 14.795 -6.847 -5.276 1.00 0.00 O ATOM 716 CB LYS A 51 12.869 -4.864 -5.482 1.00 0.00 C ATOM 717 CG LYS A 51 12.821 -5.185 -6.977 1.00 0.00 C ATOM 718 CD LYS A 51 13.816 -4.294 -7.723 1.00 0.00 C ATOM 719 CE LYS A 51 15.244 -4.693 -7.344 1.00 0.00 C ATOM 720 NZ LYS A 51 16.032 -4.538 -8.598 1.00 0.00 N ATOM 0 H LYS A 51 13.291 -5.000 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 51 11.643 -6.597 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.134 -4.096 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.847 -4.463 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.062 -6.235 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.814 -5.025 -7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.673 -4.393 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.641 -3.247 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.635 -4.056 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.283 -5.719 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.024 -4.794 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.641 -5.162 -9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.982 -3.550 -8.920 1.00 0.00 H new ATOM 734 N LYS A 52 13.384 -8.431 -4.701 1.00 0.00 N ATOM 735 CA LYS A 52 14.422 -9.482 -4.913 1.00 0.00 C ATOM 736 C LYS A 52 13.807 -10.886 -4.849 1.00 0.00 C ATOM 737 O LYS A 52 13.865 -11.627 -5.810 1.00 0.00 O ATOM 738 CB LYS A 52 15.423 -9.284 -3.774 1.00 0.00 C ATOM 739 CG LYS A 52 16.763 -8.820 -4.348 1.00 0.00 C ATOM 740 CD LYS A 52 17.336 -7.706 -3.469 1.00 0.00 C ATOM 741 CE LYS A 52 18.845 -7.600 -3.699 1.00 0.00 C ATOM 742 NZ LYS A 52 19.092 -6.158 -3.980 1.00 0.00 N ATOM 0 H LYS A 52 12.473 -8.772 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 52 14.889 -9.396 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.044 -8.547 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.554 -10.216 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.460 -9.657 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.629 -8.460 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.854 -6.757 -3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.131 -7.915 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.402 -7.932 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.162 -8.225 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.107 -6.006 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.554 -5.872 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.787 -5.588 -3.165 1.00 0.00 H new ATOM 756 N PRO A 53 13.252 -11.215 -3.711 1.00 0.00 N ATOM 757 CA PRO A 53 12.643 -12.556 -3.525 1.00 0.00 C ATOM 758 C PRO A 53 11.324 -12.685 -4.296 1.00 0.00 C ATOM 759 O PRO A 53 11.295 -13.123 -5.428 1.00 0.00 O ATOM 760 CB PRO A 53 12.400 -12.635 -2.021 1.00 0.00 C ATOM 761 CG PRO A 53 12.293 -11.214 -1.569 1.00 0.00 C ATOM 762 CD PRO A 53 13.137 -10.386 -2.504 1.00 0.00 C ATOM 0 HA PRO A 53 13.280 -13.358 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.489 -13.190 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.218 -13.149 -1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.255 -10.881 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.641 -11.110 -0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.667 -9.427 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.115 -10.171 -2.073 1.00 0.00 H new ATOM 770 N TYR A 54 10.232 -12.330 -3.679 1.00 0.00 N ATOM 771 CA TYR A 54 8.907 -12.458 -4.364 1.00 0.00 C ATOM 772 C TYR A 54 8.025 -11.234 -4.089 1.00 0.00 C ATOM 773 O TYR A 54 6.935 -11.119 -4.614 1.00 0.00 O ATOM 774 CB TYR A 54 8.256 -13.723 -3.774 1.00 0.00 C ATOM 775 CG TYR A 54 8.800 -13.995 -2.387 1.00 0.00 C ATOM 776 CD1 TYR A 54 8.706 -13.013 -1.393 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.412 -15.221 -2.104 1.00 0.00 C ATOM 778 CE1 TYR A 54 9.223 -13.258 -0.116 1.00 0.00 C ATOM 779 CE2 TYR A 54 9.931 -15.466 -0.827 1.00 0.00 C ATOM 780 CZ TYR A 54 9.837 -14.484 0.167 1.00 0.00 C ATOM 781 OH TYR A 54 10.349 -14.726 1.426 1.00 0.00 O ATOM 0 H TYR A 54 10.195 -11.957 -2.731 1.00 0.00 H new ATOM 0 HA TYR A 54 9.027 -12.524 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.174 -13.597 -3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.451 -14.577 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.234 -12.066 -1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.484 -15.978 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.148 -12.501 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.404 -16.412 -0.609 1.00 0.00 H new ATOM 0 HH TYR A 54 10.739 -15.625 1.453 1.00 0.00 H new ATOM 791 N GLU A 55 8.479 -10.322 -3.275 1.00 0.00 N ATOM 792 CA GLU A 55 7.654 -9.114 -2.980 1.00 0.00 C ATOM 793 C GLU A 55 7.602 -8.203 -4.209 1.00 0.00 C ATOM 794 O GLU A 55 8.618 -7.845 -4.771 1.00 0.00 O ATOM 795 CB GLU A 55 8.374 -8.420 -1.824 1.00 0.00 C ATOM 796 CG GLU A 55 8.111 -9.186 -0.526 1.00 0.00 C ATOM 797 CD GLU A 55 9.366 -9.157 0.349 1.00 0.00 C ATOM 798 OE1 GLU A 55 10.189 -10.046 0.200 1.00 0.00 O ATOM 799 OE2 GLU A 55 9.484 -8.247 1.153 1.00 0.00 O ATOM 0 H GLU A 55 9.382 -10.359 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 55 6.624 -9.363 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.445 -8.376 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.025 -7.392 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.272 -8.740 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.835 -10.216 -0.749 1.00 0.00 H new ATOM 806 N GLU A 56 6.427 -7.825 -4.633 1.00 0.00 N ATOM 807 CA GLU A 56 6.317 -6.938 -5.827 1.00 0.00 C ATOM 808 C GLU A 56 6.390 -5.472 -5.400 1.00 0.00 C ATOM 809 O GLU A 56 5.384 -4.829 -5.174 1.00 0.00 O ATOM 810 CB GLU A 56 4.948 -7.254 -6.432 1.00 0.00 C ATOM 811 CG GLU A 56 5.109 -7.572 -7.920 1.00 0.00 C ATOM 812 CD GLU A 56 4.193 -8.738 -8.296 1.00 0.00 C ATOM 813 OE1 GLU A 56 4.317 -9.784 -7.681 1.00 0.00 O ATOM 814 OE2 GLU A 56 3.383 -8.564 -9.191 1.00 0.00 O ATOM 0 H GLU A 56 5.540 -8.091 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 56 7.124 -7.103 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.497 -8.101 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.276 -6.406 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.863 -6.695 -8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.146 -7.826 -8.138 1.00 0.00 H new ATOM 821 N VAL A 57 7.575 -4.938 -5.280 1.00 0.00 N ATOM 822 CA VAL A 57 7.709 -3.515 -4.859 1.00 0.00 C ATOM 823 C VAL A 57 7.940 -2.614 -6.073 1.00 0.00 C ATOM 824 O VAL A 57 8.503 -3.024 -7.069 1.00 0.00 O ATOM 825 CB VAL A 57 8.929 -3.486 -3.943 1.00 0.00 C ATOM 826 CG1 VAL A 57 8.977 -2.151 -3.197 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.828 -4.628 -2.935 1.00 0.00 C ATOM 0 H VAL A 57 8.454 -5.425 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 57 6.809 -3.152 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 57 9.835 -3.601 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.849 -2.131 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.044 -1.335 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.073 -2.035 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.698 -4.611 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.922 -4.510 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.792 -5.579 -3.466 1.00 0.00 H new ATOM 837 N THR A 58 7.520 -1.384 -5.988 1.00 0.00 N ATOM 838 CA THR A 58 7.723 -0.442 -7.126 1.00 0.00 C ATOM 839 C THR A 58 8.062 0.947 -6.588 1.00 0.00 C ATOM 840 O THR A 58 8.139 1.155 -5.393 1.00 0.00 O ATOM 841 CB THR A 58 6.393 -0.418 -7.880 1.00 0.00 C ATOM 842 OG1 THR A 58 5.668 -1.606 -7.598 1.00 0.00 O ATOM 843 CG2 THR A 58 6.660 -0.324 -9.383 1.00 0.00 C ATOM 0 H THR A 58 7.043 -0.988 -5.178 1.00 0.00 H new ATOM 0 HA THR A 58 8.542 -0.748 -7.776 1.00 0.00 H new ATOM 0 HB THR A 58 5.810 0.446 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.167 -1.493 -6.763 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.712 -0.307 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.215 0.589 -9.597 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.243 -1.187 -9.704 1.00 0.00 H new ATOM 851 N CYS A 59 8.264 1.904 -7.450 1.00 0.00 N ATOM 852 CA CYS A 59 8.593 3.272 -6.961 1.00 0.00 C ATOM 853 C CYS A 59 7.689 4.313 -7.594 1.00 0.00 C ATOM 854 O CYS A 59 6.916 4.039 -8.491 1.00 0.00 O ATOM 855 CB CYS A 59 10.014 3.555 -7.414 1.00 0.00 C ATOM 856 SG CYS A 59 11.193 2.999 -6.154 1.00 0.00 S ATOM 0 H CYS A 59 8.216 1.800 -8.464 1.00 0.00 H new ATOM 0 HA CYS A 59 8.469 3.319 -5.879 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.211 3.046 -8.357 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.140 4.622 -7.595 1.00 0.00 H new ATOM 861 N CYS A 60 7.829 5.521 -7.150 1.00 0.00 N ATOM 862 CA CYS A 60 7.036 6.631 -7.731 1.00 0.00 C ATOM 863 C CYS A 60 7.545 7.966 -7.169 1.00 0.00 C ATOM 864 O CYS A 60 7.408 8.247 -5.997 1.00 0.00 O ATOM 865 CB CYS A 60 5.564 6.320 -7.367 1.00 0.00 C ATOM 866 SG CYS A 60 4.759 7.691 -6.478 1.00 0.00 S ATOM 0 H CYS A 60 8.466 5.792 -6.401 1.00 0.00 H new ATOM 0 HA CYS A 60 7.128 6.718 -8.814 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.006 6.105 -8.278 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.528 5.421 -6.751 1.00 0.00 H new ATOM 871 N SER A 61 8.148 8.780 -7.995 1.00 0.00 N ATOM 872 CA SER A 61 8.684 10.081 -7.495 1.00 0.00 C ATOM 873 C SER A 61 7.855 11.269 -8.004 1.00 0.00 C ATOM 874 O SER A 61 8.082 12.396 -7.611 1.00 0.00 O ATOM 875 CB SER A 61 10.107 10.154 -8.048 1.00 0.00 C ATOM 876 OG SER A 61 10.115 9.685 -9.389 1.00 0.00 O ATOM 0 H SER A 61 8.292 8.602 -8.989 1.00 0.00 H new ATOM 0 HA SER A 61 8.650 10.134 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.473 11.180 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.778 9.552 -7.436 1.00 0.00 H new ATOM 0 HG SER A 61 11.026 9.732 -9.747 1.00 0.00 H new ATOM 882 N THR A 62 6.902 11.045 -8.871 1.00 0.00 N ATOM 883 CA THR A 62 6.090 12.192 -9.377 1.00 0.00 C ATOM 884 C THR A 62 5.033 12.589 -8.342 1.00 0.00 C ATOM 885 O THR A 62 4.926 11.992 -7.290 1.00 0.00 O ATOM 886 CB THR A 62 5.425 11.687 -10.659 1.00 0.00 C ATOM 887 OG1 THR A 62 6.129 10.554 -11.146 1.00 0.00 O ATOM 888 CG2 THR A 62 5.444 12.793 -11.714 1.00 0.00 C ATOM 0 H THR A 62 6.653 10.130 -9.247 1.00 0.00 H new ATOM 0 HA THR A 62 6.702 13.075 -9.563 1.00 0.00 H new ATOM 0 HB THR A 62 4.393 11.407 -10.445 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.701 10.231 -11.966 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.970 12.433 -12.627 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.900 13.661 -11.341 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.475 13.075 -11.927 1.00 0.00 H new ATOM 896 N ASP A 63 4.250 13.592 -8.630 1.00 0.00 N ATOM 897 CA ASP A 63 3.202 14.016 -7.661 1.00 0.00 C ATOM 898 C ASP A 63 2.058 13.000 -7.662 1.00 0.00 C ATOM 899 O ASP A 63 1.448 12.742 -8.681 1.00 0.00 O ATOM 900 CB ASP A 63 2.721 15.374 -8.171 1.00 0.00 C ATOM 901 CG ASP A 63 3.894 16.356 -8.192 1.00 0.00 C ATOM 902 OD1 ASP A 63 4.624 16.355 -9.170 1.00 0.00 O ATOM 903 OD2 ASP A 63 4.043 17.091 -7.230 1.00 0.00 O ATOM 0 H ASP A 63 4.291 14.135 -9.493 1.00 0.00 H new ATOM 0 HA ASP A 63 3.574 14.079 -6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.301 15.271 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.926 15.754 -7.530 1.00 0.00 H new ATOM 908 N LYS A 64 1.762 12.416 -6.533 1.00 0.00 N ATOM 909 CA LYS A 64 0.660 11.412 -6.489 1.00 0.00 C ATOM 910 C LYS A 64 0.908 10.317 -7.531 1.00 0.00 C ATOM 911 O LYS A 64 0.015 9.921 -8.252 1.00 0.00 O ATOM 912 CB LYS A 64 -0.604 12.198 -6.837 1.00 0.00 C ATOM 913 CG LYS A 64 -1.239 12.748 -5.559 1.00 0.00 C ATOM 914 CD LYS A 64 -2.072 13.984 -5.899 1.00 0.00 C ATOM 915 CE LYS A 64 -2.984 13.671 -7.088 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.367 13.880 -6.576 1.00 0.00 N ATOM 0 H LYS A 64 2.232 12.589 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 64 0.583 10.923 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.360 13.016 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.312 11.554 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.868 11.988 -5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.465 13.005 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.669 14.282 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.418 14.822 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.772 14.327 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.842 12.648 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.051 13.685 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.542 13.237 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.474 14.864 -6.258 1.00 0.00 H new ATOM 930 N CYS A 65 2.114 9.824 -7.612 1.00 0.00 N ATOM 931 CA CYS A 65 2.411 8.748 -8.611 1.00 0.00 C ATOM 932 C CYS A 65 2.217 7.366 -7.980 1.00 0.00 C ATOM 933 O CYS A 65 2.657 6.364 -8.508 1.00 0.00 O ATOM 934 CB CYS A 65 3.863 8.946 -9.076 1.00 0.00 C ATOM 935 SG CYS A 65 4.957 9.293 -7.680 1.00 0.00 S ATOM 0 H CYS A 65 2.904 10.115 -7.036 1.00 0.00 H new ATOM 0 HA CYS A 65 1.732 8.809 -9.462 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.206 8.052 -9.596 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.910 9.768 -9.791 1.00 0.00 H new ATOM 940 N ASN A 66 1.551 7.304 -6.856 1.00 0.00 N ATOM 941 CA ASN A 66 1.316 5.990 -6.196 1.00 0.00 C ATOM 942 C ASN A 66 -0.146 5.494 -6.346 1.00 0.00 C ATOM 943 O ASN A 66 -0.575 4.674 -5.560 1.00 0.00 O ATOM 944 CB ASN A 66 1.619 6.259 -4.718 1.00 0.00 C ATOM 945 CG ASN A 66 2.871 5.498 -4.275 1.00 0.00 C ATOM 946 OD1 ASN A 66 3.005 5.153 -3.119 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.801 5.227 -5.143 1.00 0.00 N ATOM 0 H ASN A 66 1.160 8.110 -6.368 1.00 0.00 H new ATOM 0 HA ASN A 66 1.935 5.212 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.762 7.328 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.769 5.957 -4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.640 4.726 -4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.691 5.516 -6.115 1.00 0.00 H new ATOM 954 N PRO A 67 -0.884 5.989 -7.324 1.00 0.00 N ATOM 955 CA PRO A 67 -2.287 5.540 -7.486 1.00 0.00 C ATOM 956 C PRO A 67 -2.345 4.223 -8.263 1.00 0.00 C ATOM 957 O PRO A 67 -2.483 4.216 -9.470 1.00 0.00 O ATOM 958 CB PRO A 67 -2.928 6.652 -8.306 1.00 0.00 C ATOM 959 CG PRO A 67 -1.805 7.282 -9.069 1.00 0.00 C ATOM 960 CD PRO A 67 -0.518 6.981 -8.340 1.00 0.00 C ATOM 0 HA PRO A 67 -2.784 5.364 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.687 6.255 -8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.422 7.380 -7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.768 6.890 -10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.955 8.359 -9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.239 6.590 -9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.103 7.880 -7.884 1.00 0.00 H new ATOM 968 N HIS A 68 -2.247 3.108 -7.594 1.00 0.00 N ATOM 969 CA HIS A 68 -2.307 1.815 -8.328 1.00 0.00 C ATOM 970 C HIS A 68 -3.472 1.844 -9.320 1.00 0.00 C ATOM 971 O HIS A 68 -4.426 2.574 -9.136 1.00 0.00 O ATOM 972 CB HIS A 68 -2.513 0.743 -7.259 1.00 0.00 C ATOM 973 CG HIS A 68 -3.763 1.023 -6.469 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.869 0.184 -6.510 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.089 2.033 -5.598 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.799 0.701 -5.689 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.377 1.828 -5.107 1.00 0.00 N ATOM 0 H HIS A 68 -2.129 3.036 -6.583 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.403 1.618 -8.904 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.584 -0.238 -7.728 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.652 0.716 -6.591 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.446 2.860 -5.334 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.770 0.259 -5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.888 2.412 -4.445 1.00 0.00 H new ATOM 985 N PRO A 69 -3.342 1.063 -10.354 1.00 0.00 N ATOM 986 CA PRO A 69 -4.379 1.010 -11.405 1.00 0.00 C ATOM 987 C PRO A 69 -5.508 0.056 -11.013 1.00 0.00 C ATOM 988 O PRO A 69 -5.465 -1.121 -11.309 1.00 0.00 O ATOM 989 CB PRO A 69 -3.621 0.478 -12.616 1.00 0.00 C ATOM 990 CG PRO A 69 -2.458 -0.293 -12.062 1.00 0.00 C ATOM 991 CD PRO A 69 -2.225 0.160 -10.639 1.00 0.00 C ATOM 0 HA PRO A 69 -4.854 1.975 -11.584 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.259 -0.161 -13.227 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.281 1.294 -13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.663 -1.363 -12.091 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.567 -0.122 -12.666 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.212 -0.685 -9.951 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.267 0.669 -10.536 1.00 0.00 H new ATOM 999 N LYS A 70 -6.527 0.549 -10.362 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.650 -0.350 -9.978 1.00 0.00 C ATOM 1001 C LYS A 70 -8.955 0.426 -9.810 1.00 0.00 C ATOM 1002 O LYS A 70 -9.883 -0.041 -9.182 1.00 0.00 O ATOM 1003 CB LYS A 70 -7.235 -0.993 -8.659 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.209 -2.512 -8.835 1.00 0.00 C ATOM 1005 CD LYS A 70 -8.562 -2.982 -9.382 1.00 0.00 C ATOM 1006 CE LYS A 70 -8.444 -3.285 -10.880 1.00 0.00 C ATOM 1007 NZ LYS A 70 -9.398 -2.347 -11.545 1.00 0.00 N ATOM 0 H LYS A 70 -6.629 1.525 -10.082 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.836 -1.095 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.252 -0.632 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.933 -0.717 -7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.409 -2.797 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.001 -2.997 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.890 -3.873 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.317 -2.214 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.425 -3.128 -11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.699 -4.323 -11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.082 -2.890 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.904 -1.797 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.872 -1.700 -12.167 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.041 1.598 -10.368 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.292 2.390 -10.247 1.00 0.00 C ATOM 1023 C GLN A 71 -11.385 1.790 -11.140 1.00 0.00 C ATOM 1024 O GLN A 71 -11.648 2.276 -12.221 1.00 0.00 O ATOM 1025 CB GLN A 71 -9.904 3.780 -10.738 1.00 0.00 C ATOM 1026 CG GLN A 71 -10.176 4.797 -9.637 1.00 0.00 C ATOM 1027 CD GLN A 71 -8.941 5.674 -9.443 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -8.330 6.104 -10.400 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -8.544 5.959 -8.235 1.00 0.00 N ATOM 0 H GLN A 71 -8.296 2.043 -10.904 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.688 2.403 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.850 3.799 -11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.473 4.034 -11.632 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.036 5.413 -9.900 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.423 4.286 -8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.057 5.598 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.720 6.543 -8.094 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.437 -2.745 1.164 1.00 0.00 N ATOM 1105 CA ARG B 2 -8.985 -2.743 0.820 1.00 0.00 C ATOM 1106 C ARG B 2 -8.732 -2.004 -0.487 1.00 0.00 C ATOM 1107 O ARG B 2 -9.597 -1.883 -1.332 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.587 -4.218 0.626 1.00 0.00 C ATOM 1109 CG ARG B 2 -9.360 -5.108 1.604 1.00 0.00 C ATOM 1110 CD ARG B 2 -8.967 -6.570 1.385 1.00 0.00 C ATOM 1111 NE ARG B 2 -9.711 -7.328 2.429 1.00 0.00 N ATOM 1112 CZ ARG B 2 -9.096 -8.233 3.140 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -8.307 -9.094 2.558 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -9.271 -8.278 4.433 1.00 0.00 N ATOM 0 HA ARG B 2 -8.413 -2.249 1.606 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -8.794 -4.526 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.515 -4.337 0.784 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -9.143 -4.812 2.630 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -10.433 -4.983 1.456 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -9.238 -6.906 0.384 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.891 -6.709 1.487 1.00 0.00 H new ATOM 0 HE ARG B 2 -10.701 -7.140 2.588 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -8.171 -9.059 1.548 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -7.826 -9.802 3.113 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.889 -7.606 4.888 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.790 -8.986 4.988 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.518 -1.592 -0.689 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.150 -0.953 -1.976 1.00 0.00 C ATOM 1130 C TYR B 3 -6.494 -2.064 -2.757 1.00 0.00 C ATOM 1131 O TYR B 3 -5.397 -1.942 -3.257 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.129 0.157 -1.686 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.318 0.709 -0.295 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -5.779 0.029 0.800 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.020 1.903 -0.105 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -5.944 0.540 2.091 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.185 2.418 1.184 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.648 1.736 2.284 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.812 2.240 3.557 1.00 0.00 O ATOM 0 H TYR B 3 -6.758 -1.671 -0.013 1.00 0.00 H new ATOM 0 HA TYR B 3 -7.993 -0.513 -2.509 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.118 -0.236 -1.792 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.238 0.958 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -5.235 -0.892 0.649 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -7.435 2.427 -0.953 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -5.529 0.014 2.938 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.726 3.341 1.332 1.00 0.00 H new ATOM 0 HH TYR B 3 -6.049 1.978 4.114 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.153 -3.180 -2.792 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.578 -4.362 -3.456 1.00 0.00 C ATOM 1151 C TYR B 4 -6.446 -4.144 -4.947 1.00 0.00 C ATOM 1152 O TYR B 4 -6.620 -3.060 -5.467 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.590 -5.479 -3.206 1.00 0.00 C ATOM 1154 CG TYR B 4 -6.947 -6.627 -2.468 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.477 -6.455 -1.161 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -6.835 -7.874 -3.094 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -5.892 -7.532 -0.482 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.253 -8.949 -2.416 1.00 0.00 C ATOM 1159 CZ TYR B 4 -5.781 -8.779 -1.112 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.207 -9.841 -0.447 1.00 0.00 O ATOM 0 H TYR B 4 -8.077 -3.321 -2.383 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.582 -4.584 -3.073 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.429 -5.093 -2.627 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.993 -5.831 -4.156 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.565 -5.494 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.199 -8.006 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.527 -7.401 0.526 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.168 -9.911 -2.900 1.00 0.00 H new ATOM 0 HH TYR B 4 -5.210 -10.631 -1.027 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.138 -5.193 -5.623 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.980 -5.121 -7.103 1.00 0.00 C ATOM 1172 C GLU B 5 -7.313 -5.436 -7.787 1.00 0.00 C ATOM 1173 O GLU B 5 -7.367 -5.724 -8.966 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.927 -6.177 -7.438 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.900 -6.417 -8.948 1.00 0.00 C ATOM 1176 CD GLU B 5 -3.454 -6.621 -9.407 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -2.596 -6.760 -8.551 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -3.230 -6.635 -10.606 1.00 0.00 O ATOM 0 H GLU B 5 -5.984 -6.117 -5.219 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.679 -4.131 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.946 -5.848 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -5.152 -7.107 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.499 -7.292 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.342 -5.568 -9.470 1.00 0.00 H new ATOM 1185 N SER B 6 -8.392 -5.375 -7.054 1.00 0.00 N ATOM 1186 CA SER B 6 -9.724 -5.663 -7.659 1.00 0.00 C ATOM 1187 C SER B 6 -10.725 -4.572 -7.265 1.00 0.00 C ATOM 1188 O SER B 6 -11.908 -4.820 -7.138 1.00 0.00 O ATOM 1189 CB SER B 6 -10.142 -7.015 -7.080 1.00 0.00 C ATOM 1190 OG SER B 6 -11.415 -7.376 -7.602 1.00 0.00 O ATOM 0 H SER B 6 -8.408 -5.138 -6.062 1.00 0.00 H new ATOM 0 HA SER B 6 -9.689 -5.685 -8.748 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.403 -7.776 -7.333 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.184 -6.960 -5.992 1.00 0.00 H new ATOM 0 HG SER B 6 -12.001 -6.591 -7.606 1.00 0.00 H new ATOM 1196 N SER B 7 -10.261 -3.364 -7.071 1.00 0.00 N ATOM 1197 CA SER B 7 -11.185 -2.257 -6.686 1.00 0.00 C ATOM 1198 C SER B 7 -10.381 -1.033 -6.237 1.00 0.00 C ATOM 1199 O SER B 7 -9.167 -1.060 -6.187 1.00 0.00 O ATOM 1200 CB SER B 7 -12.012 -2.809 -5.524 1.00 0.00 C ATOM 1201 OG SER B 7 -12.127 -1.814 -4.515 1.00 0.00 O ATOM 0 H SER B 7 -9.281 -3.097 -7.163 1.00 0.00 H new ATOM 0 HA SER B 7 -11.815 -1.940 -7.517 1.00 0.00 H new ATOM 0 HB2 SER B 7 -13.001 -3.104 -5.874 1.00 0.00 H new ATOM 0 HB3 SER B 7 -11.538 -3.703 -5.117 1.00 0.00 H new ATOM 0 HG SER B 7 -12.658 -2.164 -3.769 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.049 0.038 -5.912 1.00 0.00 N ATOM 1208 CA LEU B 8 -10.328 1.264 -5.467 1.00 0.00 C ATOM 1209 C LEU B 8 -11.064 1.904 -4.287 1.00 0.00 C ATOM 1210 O LEU B 8 -10.763 3.006 -3.875 1.00 0.00 O ATOM 1211 CB LEU B 8 -10.345 2.192 -6.683 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.008 2.929 -6.792 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -8.611 3.480 -5.423 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -7.929 1.964 -7.285 1.00 0.00 C ATOM 0 H LEU B 8 -12.066 0.118 -5.935 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.313 1.054 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -10.528 1.615 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -11.160 2.910 -6.593 1.00 0.00 H new ATOM 0 HG LEU B 8 -9.109 3.753 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -7.659 4.004 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -9.377 4.172 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -8.513 2.658 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.978 2.490 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.831 1.138 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.209 1.575 -8.264 1.00 0.00 H new