USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 617 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 44 THR OG1 : rot 111:sc= 0.833 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.735 USER MOD Set 1.3: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 THR OG1 : rot 128:sc= 0.746 USER MOD Set 2.2: A 52 ASN : amide:sc= 0.331 K(o=2.5,f=-0.32) USER MOD Set 2.3: A 54 TYR OH : rot 59:sc= 1.43 USER MOD Set 3.1: A 33 LYS NZ :NH3+ -127:sc= 0.84 (180deg=0.351) USER MOD Set 3.2: A 35 TYR OH : rot 180:sc= 0.0258 USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.176 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HE2:sc= -0.466! C(o=-0.47!,f=-4.7!) USER MOD Single : A 3 MET CE :methyl -169:sc= 0 (180deg=-0.104) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.178 F(o=-1.1,f=-0.18) USER MOD Single : A 16 ASN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.756 K(o=0.76,f=-0.19) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 161:sc= -1.8! USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -55:sc= 0.267 USER MOD Single : A 39 CYS SG : rot -19:sc= -1.31 USER MOD Single : A 40 LYS NZ :NH3+ -123:sc= 0.00938 (180deg=0) USER MOD Single : A 43 ASN : amide:sc=-0.00635 K(o=-0.0063,f=-5.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.367 USER MOD Single : A 47 CYS SG : rot 49:sc= -2.93! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -50:sc= 1.05 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.455 -9.720 15.212 1.00 0.00 N ATOM 2 CA SER A 1 2.309 -9.483 14.024 1.00 0.00 C ATOM 3 C SER A 1 2.299 -7.992 13.663 1.00 0.00 C ATOM 4 O SER A 1 1.477 -7.274 14.226 1.00 0.00 O ATOM 5 CB SER A 1 1.822 -10.375 12.871 1.00 0.00 C ATOM 6 OG SER A 1 0.492 -10.039 12.539 1.00 0.00 O ATOM 0 H1 SER A 1 2.054 -9.965 16.027 1.00 0.00 H new ATOM 0 H2 SER A 1 0.913 -8.859 15.427 1.00 0.00 H new ATOM 0 H3 SER A 1 0.799 -10.503 15.017 1.00 0.00 H new ATOM 0 HA SER A 1 3.344 -9.750 14.236 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.467 -10.247 12.002 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.881 -11.424 13.160 1.00 0.00 H new ATOM 0 HG SER A 1 0.185 -10.608 11.803 1.00 0.00 H new ATOM 13 N HIS A 2 3.168 -7.472 12.756 1.00 0.00 N ATOM 14 CA HIS A 2 3.080 -6.114 12.140 1.00 0.00 C ATOM 15 C HIS A 2 4.140 -5.958 10.999 1.00 0.00 C ATOM 16 O HIS A 2 3.936 -6.566 9.945 1.00 0.00 O ATOM 17 CB HIS A 2 3.138 -4.964 13.200 1.00 0.00 C ATOM 18 CG HIS A 2 4.285 -4.937 14.157 1.00 0.00 C ATOM 19 ND1 HIS A 2 5.206 -3.920 14.285 1.00 0.00 N ATOM 20 CD2 HIS A 2 4.405 -5.738 15.258 1.00 0.00 C ATOM 21 CE1 HIS A 2 5.859 -4.122 15.434 1.00 0.00 C ATOM 22 NE2 HIS A 2 5.416 -5.220 16.059 1.00 0.00 N ATOM 0 H HIS A 2 3.974 -7.999 12.421 1.00 0.00 H new ATOM 0 HA HIS A 2 2.096 -6.019 11.681 1.00 0.00 H new ATOM 0 HB2 HIS A 2 3.132 -4.016 12.662 1.00 0.00 H new ATOM 0 HB3 HIS A 2 2.219 -5.005 13.784 1.00 0.00 H new ATOM 0 HD1 HIS A 2 5.361 -3.156 13.627 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.817 -6.619 15.469 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.643 -3.482 15.810 1.00 0.00 H new ATOM 30 N MET A 3 5.319 -5.389 11.303 1.00 0.00 N ATOM 31 CA MET A 3 6.588 -5.273 10.498 1.00 0.00 C ATOM 32 C MET A 3 7.157 -6.573 9.923 1.00 0.00 C ATOM 33 O MET A 3 8.275 -6.532 9.419 1.00 0.00 O ATOM 34 CB MET A 3 7.629 -4.596 11.422 1.00 0.00 C ATOM 35 CG MET A 3 8.047 -5.500 12.608 1.00 0.00 C ATOM 36 SD MET A 3 9.350 -4.790 13.639 1.00 0.00 S ATOM 37 CE MET A 3 10.770 -5.019 12.540 1.00 0.00 C ATOM 0 H MET A 3 5.439 -4.945 12.214 1.00 0.00 H new ATOM 0 HA MET A 3 6.349 -4.695 9.605 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.512 -4.336 10.839 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.216 -3.664 11.808 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.173 -5.698 13.228 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.386 -6.460 12.219 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.690 -4.817 13.088 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.784 -6.045 12.173 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.692 -4.333 11.697 1.00 0.00 H new ATOM 47 N THR A 4 6.413 -7.682 9.960 1.00 0.00 N ATOM 48 CA THR A 4 6.763 -8.938 9.342 1.00 0.00 C ATOM 49 C THR A 4 5.918 -9.167 8.139 1.00 0.00 C ATOM 50 O THR A 4 6.401 -9.234 7.025 1.00 0.00 O ATOM 51 CB THR A 4 6.712 -10.076 10.347 1.00 0.00 C ATOM 52 OG1 THR A 4 7.205 -11.231 9.752 1.00 0.00 O ATOM 53 CG2 THR A 4 5.392 -10.387 11.039 1.00 0.00 C ATOM 0 H THR A 4 5.516 -7.718 10.444 1.00 0.00 H new ATOM 0 HA THR A 4 7.796 -8.898 8.998 1.00 0.00 H new ATOM 0 HB THR A 4 7.329 -9.707 11.166 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.176 -11.969 10.396 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.528 -11.225 11.723 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.059 -9.512 11.598 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.642 -10.647 10.292 1.00 0.00 H new ATOM 61 N ALA A 5 4.626 -9.293 8.345 1.00 0.00 N ATOM 62 CA ALA A 5 3.667 -9.643 7.300 1.00 0.00 C ATOM 63 C ALA A 5 3.497 -8.475 6.306 1.00 0.00 C ATOM 64 O ALA A 5 3.432 -8.699 5.105 1.00 0.00 O ATOM 65 CB ALA A 5 2.382 -10.011 8.066 1.00 0.00 C ATOM 0 H ALA A 5 4.196 -9.154 9.259 1.00 0.00 H new ATOM 0 HA ALA A 5 3.984 -10.477 6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.603 -10.289 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.583 -10.850 8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.050 -9.154 8.653 1.00 0.00 H new ATOM 71 N VAL A 6 3.525 -7.238 6.823 1.00 0.00 N ATOM 72 CA VAL A 6 3.584 -5.999 6.052 1.00 0.00 C ATOM 73 C VAL A 6 4.866 -5.961 5.228 1.00 0.00 C ATOM 74 O VAL A 6 4.841 -5.475 4.109 1.00 0.00 O ATOM 75 CB VAL A 6 3.447 -4.777 7.002 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.784 -4.299 7.582 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.699 -3.622 6.333 1.00 0.00 C ATOM 0 H VAL A 6 3.506 -7.073 7.829 1.00 0.00 H new ATOM 0 HA VAL A 6 2.750 -5.956 5.351 1.00 0.00 H new ATOM 0 HB VAL A 6 2.854 -5.130 7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.612 -3.444 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.242 -5.106 8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.449 -4.007 6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.623 -2.786 7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.241 -3.305 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.699 -3.951 6.051 1.00 0.00 H new ATOM 87 N GLN A 7 5.984 -6.476 5.760 1.00 0.00 N ATOM 88 CA GLN A 7 7.300 -6.373 5.117 1.00 0.00 C ATOM 89 C GLN A 7 7.390 -7.346 3.952 1.00 0.00 C ATOM 90 O GLN A 7 7.650 -6.994 2.814 1.00 0.00 O ATOM 91 CB GLN A 7 8.353 -6.602 6.229 1.00 0.00 C ATOM 92 CG GLN A 7 9.817 -6.385 5.791 1.00 0.00 C ATOM 93 CD GLN A 7 10.058 -5.016 5.194 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.314 -4.030 5.632 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 10.813 -4.816 4.258 1.00 0.00 N flip ATOM 0 H GLN A 7 6.000 -6.976 6.649 1.00 0.00 H new ATOM 0 HA GLN A 7 7.479 -5.394 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.134 -5.932 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.248 -7.620 6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.472 -6.521 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.089 -7.147 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.399 -5.572 3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.859 -3.892 3.828 1.00 0.00 H new ATOM 104 N ASP A 8 7.058 -8.582 4.261 1.00 0.00 N ATOM 105 CA ASP A 8 6.779 -9.724 3.347 1.00 0.00 C ATOM 106 C ASP A 8 5.828 -9.355 2.195 1.00 0.00 C ATOM 107 O ASP A 8 6.183 -9.541 1.029 1.00 0.00 O ATOM 108 CB ASP A 8 6.196 -10.866 4.209 1.00 0.00 C ATOM 109 CG ASP A 8 5.730 -12.079 3.378 1.00 0.00 C ATOM 110 OD1 ASP A 8 4.513 -12.396 3.445 1.00 0.00 O ATOM 111 OD2 ASP A 8 6.624 -12.751 2.801 1.00 0.00 O1- ATOM 0 H ASP A 8 6.962 -8.861 5.237 1.00 0.00 H new ATOM 0 HA ASP A 8 7.706 -10.031 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.950 -11.193 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.353 -10.484 4.785 1.00 0.00 H new ATOM 116 N PHE A 9 4.664 -8.764 2.512 1.00 0.00 N ATOM 117 CA PHE A 9 3.759 -8.201 1.526 1.00 0.00 C ATOM 118 C PHE A 9 4.440 -7.101 0.689 1.00 0.00 C ATOM 119 O PHE A 9 4.333 -7.118 -0.532 1.00 0.00 O ATOM 120 CB PHE A 9 2.515 -7.633 2.217 1.00 0.00 C ATOM 121 CG PHE A 9 1.624 -6.960 1.204 1.00 0.00 C ATOM 122 CD1 PHE A 9 0.969 -7.726 0.227 1.00 0.00 C ATOM 123 CD2 PHE A 9 1.630 -5.560 1.083 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.349 -7.093 -0.863 1.00 0.00 C ATOM 125 CE2 PHE A 9 0.984 -4.939 -0.001 1.00 0.00 C ATOM 126 CZ PHE A 9 0.321 -5.698 -0.971 1.00 0.00 C ATOM 0 H PHE A 9 4.332 -8.668 3.472 1.00 0.00 H new ATOM 0 HA PHE A 9 3.467 -9.004 0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.970 -8.433 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.810 -6.919 2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.942 -8.802 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.133 -4.958 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.114 -7.694 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.000 -3.862 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.201 -5.218 -1.785 1.00 0.00 H new ATOM 136 N VAL A 10 5.117 -6.146 1.339 1.00 0.00 N ATOM 137 CA VAL A 10 5.842 -5.071 0.645 1.00 0.00 C ATOM 138 C VAL A 10 6.841 -5.612 -0.382 1.00 0.00 C ATOM 139 O VAL A 10 6.718 -5.218 -1.532 1.00 0.00 O ATOM 140 CB VAL A 10 6.494 -4.063 1.620 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.591 -3.181 0.993 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.432 -3.106 2.204 1.00 0.00 C ATOM 0 H VAL A 10 5.178 -6.095 2.356 1.00 0.00 H new ATOM 0 HA VAL A 10 5.091 -4.512 0.087 1.00 0.00 H new ATOM 0 HB VAL A 10 6.955 -4.689 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.991 -2.506 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.392 -3.814 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.167 -2.599 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.911 -2.405 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.954 -2.555 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.680 -3.682 2.743 1.00 0.00 H new ATOM 152 N VAL A 11 7.730 -6.550 -0.039 1.00 0.00 N ATOM 153 CA VAL A 11 8.710 -7.106 -1.016 1.00 0.00 C ATOM 154 C VAL A 11 8.113 -7.893 -2.171 1.00 0.00 C ATOM 155 O VAL A 11 8.772 -8.025 -3.208 1.00 0.00 O ATOM 156 CB VAL A 11 9.963 -7.803 -0.433 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.200 -6.907 -0.589 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.849 -8.054 1.065 1.00 0.00 C ATOM 0 H VAL A 11 7.802 -6.947 0.898 1.00 0.00 H new ATOM 0 HA VAL A 11 9.086 -6.175 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 11 10.048 -8.742 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.071 -7.414 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.370 -6.702 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.039 -5.969 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.755 -8.545 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.722 -7.104 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.988 -8.693 1.262 1.00 0.00 H new ATOM 168 N ASP A 12 6.881 -8.393 -2.039 1.00 0.00 N ATOM 169 CA ASP A 12 6.137 -8.972 -3.155 1.00 0.00 C ATOM 170 C ASP A 12 5.944 -7.970 -4.326 1.00 0.00 C ATOM 171 O ASP A 12 6.118 -8.338 -5.482 1.00 0.00 O ATOM 172 CB ASP A 12 4.788 -9.500 -2.637 1.00 0.00 C ATOM 173 CG ASP A 12 4.099 -10.551 -3.520 1.00 0.00 C ATOM 174 OD1 ASP A 12 2.877 -10.681 -3.395 1.00 0.00 O ATOM 175 OD2 ASP A 12 4.833 -11.278 -4.270 1.00 0.00 O1- ATOM 0 H ASP A 12 6.374 -8.407 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 12 6.719 -9.798 -3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.943 -9.929 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.111 -8.655 -2.515 1.00 0.00 H new ATOM 180 N ILE A 13 5.688 -6.697 -4.009 1.00 0.00 N ATOM 181 CA ILE A 13 5.729 -5.535 -4.925 1.00 0.00 C ATOM 182 C ILE A 13 7.197 -5.135 -5.104 1.00 0.00 C ATOM 183 O ILE A 13 7.616 -4.907 -6.230 1.00 0.00 O ATOM 184 CB ILE A 13 4.909 -4.377 -4.332 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.386 -4.626 -4.274 1.00 0.00 C ATOM 186 CG2 ILE A 13 5.151 -3.140 -5.218 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.908 -5.698 -3.297 1.00 0.00 C ATOM 0 H ILE A 13 5.433 -6.427 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 13 5.296 -5.785 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 13 5.240 -4.253 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.896 -3.687 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.047 -4.899 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.583 -2.296 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.213 -2.895 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.828 -3.353 -6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.822 -5.779 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.356 -6.656 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.204 -5.425 -2.284 1.00 0.00 H new ATOM 199 N LEU A 14 7.948 -4.981 -4.009 1.00 0.00 N ATOM 200 CA LEU A 14 9.129 -4.124 -3.996 1.00 0.00 C ATOM 201 C LEU A 14 10.254 -4.707 -4.842 1.00 0.00 C ATOM 202 O LEU A 14 10.830 -4.015 -5.680 1.00 0.00 O ATOM 203 CB LEU A 14 9.633 -3.904 -2.551 1.00 0.00 C ATOM 204 CG LEU A 14 10.082 -2.455 -2.274 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.933 -2.402 -0.998 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.884 -1.849 -3.431 1.00 0.00 C ATOM 0 H LEU A 14 7.755 -5.442 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 14 8.834 -3.166 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.840 -4.171 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.467 -4.578 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 14 9.173 -1.866 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.245 -1.374 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.345 -2.762 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.814 -3.032 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.172 -0.829 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.779 -2.446 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.272 -1.840 -4.333 1.00 0.00 H new ATOM 218 N LEU A 15 10.608 -5.983 -4.608 1.00 0.00 N ATOM 219 CA LEU A 15 11.640 -6.671 -5.363 1.00 0.00 C ATOM 220 C LEU A 15 10.988 -7.535 -6.457 1.00 0.00 C ATOM 221 O LEU A 15 11.388 -7.453 -7.614 1.00 0.00 O ATOM 222 CB LEU A 15 12.484 -7.560 -4.433 1.00 0.00 C ATOM 223 CG LEU A 15 13.733 -6.896 -3.784 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.932 -6.957 -4.755 1.00 0.00 C ATOM 225 CD2 LEU A 15 13.552 -5.430 -3.343 1.00 0.00 C ATOM 0 H LEU A 15 10.177 -6.558 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 15 12.293 -5.930 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.839 -7.928 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.816 -8.429 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 15 13.904 -7.475 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.800 -6.490 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.160 -7.997 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.683 -6.427 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.481 -5.065 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.294 -4.819 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.753 -5.368 -2.604 1.00 0.00 H new ATOM 237 N ASN A 16 10.006 -8.335 -6.067 1.00 0.00 N ATOM 238 CA ASN A 16 9.426 -9.353 -6.970 1.00 0.00 C ATOM 239 C ASN A 16 8.364 -8.823 -7.927 1.00 0.00 C ATOM 240 O ASN A 16 8.015 -9.516 -8.895 1.00 0.00 O ATOM 241 CB ASN A 16 8.898 -10.525 -6.127 1.00 0.00 C ATOM 242 CG ASN A 16 9.931 -11.068 -5.176 1.00 0.00 C ATOM 243 OD1 ASN A 16 10.877 -11.774 -5.532 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.854 -10.724 -3.882 1.00 0.00 N ATOM 0 H ASN A 16 9.587 -8.309 -5.138 1.00 0.00 H new ATOM 0 HA ASN A 16 10.227 -9.691 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.026 -10.197 -5.561 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.565 -11.323 -6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.565 -11.046 -3.226 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.084 -10.141 -3.554 1.00 0.00 H new ATOM 251 N GLY A 17 7.901 -7.557 -7.748 1.00 0.00 N ATOM 252 CA GLY A 17 6.942 -6.902 -8.596 1.00 0.00 C ATOM 253 C GLY A 17 5.472 -7.278 -8.354 1.00 0.00 C ATOM 254 O GLY A 17 5.088 -8.423 -8.164 1.00 0.00 O ATOM 0 H GLY A 17 8.213 -6.968 -6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.048 -5.825 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.189 -7.126 -9.634 1.00 0.00 H new ATOM 258 N ALA A 18 4.667 -6.227 -8.400 1.00 0.00 N ATOM 259 CA ALA A 18 3.206 -6.269 -8.261 1.00 0.00 C ATOM 260 C ALA A 18 2.502 -7.032 -9.389 1.00 0.00 C ATOM 261 O ALA A 18 3.104 -7.491 -10.358 1.00 0.00 O ATOM 262 CB ALA A 18 2.729 -4.802 -8.221 1.00 0.00 C ATOM 0 H ALA A 18 5.021 -5.281 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 18 2.950 -6.813 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.644 -4.775 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.187 -4.294 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.018 -4.300 -9.144 1.00 0.00 H new ATOM 268 N ARG A 19 1.169 -7.050 -9.309 1.00 0.00 N ATOM 269 CA ARG A 19 0.228 -7.032 -10.421 1.00 0.00 C ATOM 270 C ARG A 19 0.548 -5.896 -11.453 1.00 0.00 C ATOM 271 O ARG A 19 1.660 -5.394 -11.547 1.00 0.00 O ATOM 272 CB ARG A 19 -1.182 -6.943 -9.802 1.00 0.00 C ATOM 273 CG ARG A 19 -2.032 -8.133 -10.209 1.00 0.00 C ATOM 274 CD ARG A 19 -1.723 -9.417 -9.418 1.00 0.00 C ATOM 275 NE ARG A 19 -1.488 -10.563 -10.322 1.00 0.00 N ATOM 276 CZ ARG A 19 -2.370 -11.437 -10.806 1.00 0.00 C ATOM 277 NH1 ARG A 19 -3.649 -11.486 -10.449 1.00 0.00 N ATOM 278 NH2 ARG A 19 -1.909 -12.226 -11.751 1.00 0.00 N ATOM 0 H ARG A 19 0.693 -7.079 -8.407 1.00 0.00 H new ATOM 0 HA ARG A 19 0.304 -7.941 -11.018 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.104 -6.902 -8.716 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.666 -6.020 -10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.084 -7.879 -10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.884 -8.327 -11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.844 -9.259 -8.793 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.554 -9.643 -8.749 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.521 -10.704 -10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.012 -10.826 -9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.267 -12.184 -10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.941 -12.140 -12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.520 -12.924 -12.175 1.00 0.00 H new ATOM 292 N ASP A 20 -0.462 -5.483 -12.205 1.00 0.00 N ATOM 293 CA ASP A 20 -0.480 -4.333 -13.136 1.00 0.00 C ATOM 294 C ASP A 20 0.201 -3.018 -12.716 1.00 0.00 C ATOM 295 O ASP A 20 0.452 -2.151 -13.559 1.00 0.00 O ATOM 296 CB ASP A 20 -1.982 -4.047 -13.353 1.00 0.00 C ATOM 297 CG ASP A 20 -2.235 -3.181 -14.597 1.00 0.00 C ATOM 298 OD1 ASP A 20 -2.541 -1.972 -14.423 1.00 0.00 O ATOM 299 OD2 ASP A 20 -2.227 -3.814 -15.676 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.359 -5.968 -12.189 1.00 0.00 H new ATOM 0 HA ASP A 20 0.110 -4.632 -14.003 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.519 -4.990 -13.454 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.385 -3.544 -12.474 1.00 0.00 H new ATOM 304 N TRP A 21 0.506 -2.838 -11.414 1.00 0.00 N ATOM 305 CA TRP A 21 0.997 -1.604 -10.850 1.00 0.00 C ATOM 306 C TRP A 21 2.462 -1.273 -11.247 1.00 0.00 C ATOM 307 O TRP A 21 3.251 -2.158 -11.566 1.00 0.00 O ATOM 308 CB TRP A 21 0.811 -1.584 -9.316 1.00 0.00 C ATOM 309 CG TRP A 21 -0.597 -1.784 -8.842 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.526 -2.695 -9.250 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.339 -0.917 -7.928 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.760 -2.438 -8.710 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.702 -1.317 -7.892 1.00 0.00 C ATOM 314 CE3 TRP A 21 -0.982 0.210 -7.168 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.662 -0.637 -7.125 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.938 0.930 -6.443 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.259 0.470 -6.379 1.00 0.00 C ATOM 0 H TRP A 21 0.408 -3.581 -10.722 1.00 0.00 H new ATOM 0 HA TRP A 21 0.389 -0.811 -11.286 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.438 -2.361 -8.880 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.174 -0.630 -8.934 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.316 -3.518 -9.917 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.600 -2.991 -8.884 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.050 0.526 -7.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.691 -0.965 -7.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.657 1.840 -5.933 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.972 0.977 -5.746 1.00 0.00 H new ATOM 328 N ASP A 22 2.800 0.006 -11.157 1.00 0.00 N ATOM 329 CA ASP A 22 4.165 0.503 -11.317 1.00 0.00 C ATOM 330 C ASP A 22 4.812 0.608 -9.946 1.00 0.00 C ATOM 331 O ASP A 22 4.125 0.883 -8.966 1.00 0.00 O ATOM 332 CB ASP A 22 4.183 1.836 -12.079 1.00 0.00 C ATOM 333 CG ASP A 22 5.493 2.022 -12.833 1.00 0.00 C ATOM 334 OD1 ASP A 22 5.408 2.452 -13.998 1.00 0.00 O ATOM 335 OD2 ASP A 22 6.565 1.666 -12.292 1.00 0.00 O1- ATOM 0 H ASP A 22 2.122 0.744 -10.967 1.00 0.00 H new ATOM 0 HA ASP A 22 4.746 -0.195 -11.920 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.349 1.868 -12.780 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.043 2.660 -11.379 1.00 0.00 H new ATOM 340 N VAL A 23 6.105 0.330 -9.845 1.00 0.00 N ATOM 341 CA VAL A 23 6.762 -0.079 -8.644 1.00 0.00 C ATOM 342 C VAL A 23 7.484 1.196 -8.267 1.00 0.00 C ATOM 343 O VAL A 23 8.375 1.662 -8.978 1.00 0.00 O ATOM 344 CB VAL A 23 7.716 -1.268 -8.938 1.00 0.00 C ATOM 345 CG1 VAL A 23 9.239 -1.086 -8.991 1.00 0.00 C ATOM 346 CG2 VAL A 23 7.191 -2.426 -8.147 1.00 0.00 C ATOM 0 H VAL A 23 6.739 0.391 -10.642 1.00 0.00 H new ATOM 0 HA VAL A 23 6.117 -0.450 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 23 7.673 -1.443 -10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.712 -2.043 -9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.493 -0.368 -9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.595 -0.717 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.824 -3.297 -8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.193 -2.173 -7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.173 -2.651 -8.464 1.00 0.00 H new ATOM 356 N LEU A 24 6.949 1.814 -7.242 1.00 0.00 N ATOM 357 CA LEU A 24 7.366 3.152 -6.904 1.00 0.00 C ATOM 358 C LEU A 24 7.897 3.240 -5.500 1.00 0.00 C ATOM 359 O LEU A 24 7.402 2.590 -4.580 1.00 0.00 O ATOM 360 CB LEU A 24 6.230 4.104 -7.154 1.00 0.00 C ATOM 361 CG LEU A 24 6.652 5.200 -8.147 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.406 5.942 -8.536 1.00 0.00 C ATOM 363 CD2 LEU A 24 7.697 6.183 -7.601 1.00 0.00 C ATOM 0 H LEU A 24 6.232 1.417 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 24 8.200 3.437 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.372 3.559 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.915 4.558 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 24 7.136 4.717 -8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.659 6.732 -9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.702 5.252 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.952 6.381 -7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.937 6.921 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.297 6.688 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.600 5.638 -7.327 1.00 0.00 H new ATOM 375 N GLN A 25 8.848 4.144 -5.300 1.00 0.00 N ATOM 376 CA GLN A 25 9.217 4.549 -3.973 1.00 0.00 C ATOM 377 C GLN A 25 8.872 6.026 -3.833 1.00 0.00 C ATOM 378 O GLN A 25 9.678 6.900 -4.130 1.00 0.00 O ATOM 379 CB GLN A 25 10.706 4.280 -3.701 1.00 0.00 C ATOM 380 CG GLN A 25 11.128 2.821 -3.911 1.00 0.00 C ATOM 381 CD GLN A 25 10.635 1.864 -2.832 1.00 0.00 C ATOM 382 OE1 GLN A 25 11.375 1.476 -1.945 1.00 0.00 O ATOM 383 NE2 GLN A 25 9.402 1.425 -2.901 1.00 0.00 N ATOM 0 H GLN A 25 9.370 4.603 -6.046 1.00 0.00 H new ATOM 0 HA GLN A 25 8.668 3.969 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.304 4.917 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.935 4.569 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.755 2.483 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.216 2.772 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.785 1.752 -3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.059 0.757 -2.211 1.00 0.00 H new ATOM 392 N THR A 26 7.633 6.275 -3.426 1.00 0.00 N ATOM 393 CA THR A 26 7.178 7.605 -3.002 1.00 0.00 C ATOM 394 C THR A 26 6.401 7.494 -1.685 1.00 0.00 C ATOM 395 O THR A 26 6.246 6.397 -1.135 1.00 0.00 O ATOM 396 CB THR A 26 6.492 8.317 -4.177 1.00 0.00 C ATOM 397 OG1 THR A 26 6.160 9.630 -3.809 1.00 0.00 O ATOM 398 CG2 THR A 26 5.218 7.649 -4.691 1.00 0.00 C ATOM 0 H THR A 26 6.907 5.560 -3.379 1.00 0.00 H new ATOM 0 HA THR A 26 8.006 8.267 -2.751 1.00 0.00 H new ATOM 0 HB THR A 26 7.222 8.276 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.724 10.081 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.812 8.229 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.449 6.640 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.483 7.600 -3.888 1.00 0.00 H new ATOM 406 N THR A 27 5.913 8.604 -1.135 1.00 0.00 N ATOM 407 CA THR A 27 5.237 8.716 0.154 1.00 0.00 C ATOM 408 C THR A 27 4.107 9.676 -0.076 1.00 0.00 C ATOM 409 O THR A 27 4.203 10.624 -0.854 1.00 0.00 O ATOM 410 CB THR A 27 6.161 9.239 1.266 1.00 0.00 C ATOM 411 OG1 THR A 27 6.833 10.376 0.777 1.00 0.00 O ATOM 412 CG2 THR A 27 7.204 8.218 1.749 1.00 0.00 C ATOM 0 H THR A 27 5.984 9.505 -1.608 1.00 0.00 H new ATOM 0 HA THR A 27 4.900 7.737 0.493 1.00 0.00 H new ATOM 0 HB THR A 27 5.530 9.463 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.428 10.728 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.815 8.665 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.696 7.338 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.841 7.926 0.914 1.00 0.00 H new ATOM 420 N CYS A 28 3.002 9.432 0.608 1.00 0.00 N ATOM 421 CA CYS A 28 1.758 10.183 0.479 1.00 0.00 C ATOM 422 C CYS A 28 1.170 10.571 1.800 1.00 0.00 C ATOM 423 O CYS A 28 1.277 9.827 2.778 1.00 0.00 O ATOM 424 CB CYS A 28 0.827 9.256 -0.224 1.00 0.00 C ATOM 425 SG CYS A 28 -0.741 10.088 -0.667 1.00 0.00 S ATOM 0 H CYS A 28 2.941 8.679 1.294 1.00 0.00 H new ATOM 0 HA CYS A 28 1.934 11.118 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.305 8.874 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.617 8.397 0.414 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.342 9.412 -1.601 1.00 0.00 H new ATOM 431 N THR A 29 0.502 11.720 1.809 1.00 0.00 N ATOM 432 CA THR A 29 0.235 12.439 3.042 1.00 0.00 C ATOM 433 C THR A 29 -1.264 12.662 3.214 1.00 0.00 C ATOM 434 O THR A 29 -1.839 13.482 2.518 1.00 0.00 O ATOM 435 CB THR A 29 0.982 13.779 2.999 1.00 0.00 C ATOM 436 OG1 THR A 29 2.353 13.544 2.694 1.00 0.00 O ATOM 437 CG2 THR A 29 0.871 14.549 4.311 1.00 0.00 C ATOM 0 H THR A 29 0.136 12.172 0.971 1.00 0.00 H new ATOM 0 HA THR A 29 0.583 11.855 3.894 1.00 0.00 H new ATOM 0 HB THR A 29 0.519 14.391 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.833 14.398 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.416 15.489 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.178 14.755 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.295 13.953 5.119 1.00 0.00 H new ATOM 445 N VAL A 30 -1.854 11.939 4.153 1.00 0.00 N ATOM 446 CA VAL A 30 -3.331 11.877 4.361 1.00 0.00 C ATOM 447 C VAL A 30 -3.684 11.609 5.825 1.00 0.00 C ATOM 448 O VAL A 30 -2.882 11.019 6.552 1.00 0.00 O ATOM 449 CB VAL A 30 -4.005 10.848 3.407 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.538 10.901 3.519 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.699 11.081 1.916 1.00 0.00 C ATOM 0 H VAL A 30 -1.331 11.363 4.813 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.733 12.858 4.108 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.592 9.891 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.978 10.170 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.836 10.671 4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.888 11.899 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.205 10.323 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.052 12.070 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.624 11.015 1.751 1.00 0.00 H new ATOM 461 N ASP A 31 -4.838 12.103 6.331 1.00 0.00 N ATOM 462 CA ASP A 31 -5.234 12.170 7.748 1.00 0.00 C ATOM 463 C ASP A 31 -4.243 13.010 8.610 1.00 0.00 C ATOM 464 O ASP A 31 -4.202 12.862 9.824 1.00 0.00 O ATOM 465 CB ASP A 31 -5.509 10.760 8.344 1.00 0.00 C ATOM 466 CG ASP A 31 -7.001 10.367 8.272 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.722 10.912 7.409 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.466 9.576 9.132 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.558 12.488 5.719 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.181 12.708 7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.916 10.020 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.181 10.738 9.383 1.00 0.00 H new ATOM 473 N ARG A 32 -3.486 13.869 7.941 1.00 0.00 N ATOM 474 CA ARG A 32 -2.346 14.659 8.498 1.00 0.00 C ATOM 475 C ARG A 32 -1.135 13.773 8.789 1.00 0.00 C ATOM 476 O ARG A 32 -0.167 14.183 9.453 1.00 0.00 O ATOM 477 CB ARG A 32 -2.765 15.486 9.738 1.00 0.00 C ATOM 478 CG ARG A 32 -3.855 16.519 9.403 1.00 0.00 C ATOM 479 CD ARG A 32 -4.633 16.974 10.658 1.00 0.00 C ATOM 480 NE ARG A 32 -5.854 16.177 10.875 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.935 16.214 10.103 1.00 0.00 C ATOM 482 NH1 ARG A 32 -7.033 17.015 9.064 1.00 0.00 N ATOM 483 NH2 ARG A 32 -7.921 15.371 10.288 1.00 0.00 N ATOM 0 H ARG A 32 -3.639 14.058 6.950 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.047 15.372 7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.129 14.814 10.515 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.893 15.999 10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.397 17.386 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.551 16.090 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.988 16.893 11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.901 18.026 10.556 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.870 15.549 11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.261 17.638 8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.881 17.013 8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.864 14.675 11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.745 15.410 9.688 1.00 0.00 H new ATOM 497 N LYS A 33 -1.206 12.499 8.344 1.00 0.00 N ATOM 498 CA LYS A 33 -0.278 11.404 8.525 1.00 0.00 C ATOM 499 C LYS A 33 0.435 11.217 7.194 1.00 0.00 C ATOM 500 O LYS A 33 -0.023 11.706 6.168 1.00 0.00 O ATOM 501 CB LYS A 33 -1.000 10.084 8.909 1.00 0.00 C ATOM 502 CG LYS A 33 -0.544 9.469 10.234 1.00 0.00 C ATOM 503 CD LYS A 33 0.621 8.466 10.191 1.00 0.00 C ATOM 504 CE LYS A 33 0.272 7.187 9.413 1.00 0.00 C ATOM 505 NZ LYS A 33 -0.875 6.428 9.968 1.00 0.00 N ATOM 0 H LYS A 33 -2.009 12.200 7.791 1.00 0.00 H new ATOM 0 HA LYS A 33 0.410 11.637 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.072 10.274 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.844 9.356 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.262 10.283 10.902 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.401 8.969 10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.488 8.941 9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.905 8.201 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.050 7.454 8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.147 6.537 9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.594 5.439 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.167 6.851 10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.670 6.461 9.298 1.00 0.00 H new ATOM 519 N VAL A 34 1.501 10.456 7.227 1.00 0.00 N ATOM 520 CA VAL A 34 2.243 10.124 6.014 1.00 0.00 C ATOM 521 C VAL A 34 2.382 8.611 5.986 1.00 0.00 C ATOM 522 O VAL A 34 2.619 7.964 7.014 1.00 0.00 O ATOM 523 CB VAL A 34 3.588 10.850 5.998 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.573 10.324 4.939 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.442 12.361 5.856 1.00 0.00 C ATOM 0 H VAL A 34 1.884 10.048 8.080 1.00 0.00 H new ATOM 0 HA VAL A 34 1.723 10.453 5.114 1.00 0.00 H new ATOM 0 HB VAL A 34 4.014 10.629 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.502 10.891 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.780 9.270 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.136 10.438 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.429 12.823 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.929 12.591 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.863 12.751 6.693 1.00 0.00 H new ATOM 535 N TYR A 35 2.199 8.069 4.790 1.00 0.00 N ATOM 536 CA TYR A 35 2.297 6.663 4.459 1.00 0.00 C ATOM 537 C TYR A 35 3.340 6.497 3.362 1.00 0.00 C ATOM 538 O TYR A 35 3.457 7.354 2.487 1.00 0.00 O ATOM 539 CB TYR A 35 0.960 6.167 3.911 1.00 0.00 C ATOM 540 CG TYR A 35 -0.182 6.453 4.848 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.384 5.566 5.921 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.941 7.632 4.687 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.398 5.840 6.850 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.947 7.915 5.631 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.159 7.029 6.720 1.00 0.00 C ATOM 546 OH TYR A 35 -3.071 7.339 7.683 1.00 0.00 O ATOM 0 H TYR A 35 1.964 8.639 3.978 1.00 0.00 H new ATOM 0 HA TYR A 35 2.568 6.099 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.766 6.641 2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.019 5.094 3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.233 4.686 6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.755 8.301 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.597 5.151 7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.554 8.802 5.527 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.513 8.184 7.455 1.00 0.00 H new ATOM 556 N LYS A 36 4.027 5.373 3.373 1.00 0.00 N ATOM 557 CA LYS A 36 5.016 5.095 2.360 1.00 0.00 C ATOM 558 C LYS A 36 4.430 4.159 1.322 1.00 0.00 C ATOM 559 O LYS A 36 3.792 3.163 1.670 1.00 0.00 O ATOM 560 CB LYS A 36 6.293 4.567 2.986 1.00 0.00 C ATOM 561 CG LYS A 36 6.691 4.989 4.413 1.00 0.00 C ATOM 562 CD LYS A 36 7.908 4.253 5.019 1.00 0.00 C ATOM 563 CE LYS A 36 9.066 4.035 4.028 1.00 0.00 C ATOM 564 NZ LYS A 36 10.339 3.613 4.684 1.00 0.00 N ATOM 0 H LYS A 36 3.916 4.640 4.073 1.00 0.00 H new ATOM 0 HA LYS A 36 5.291 6.017 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.231 3.479 2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.115 4.845 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.902 6.058 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.834 4.835 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.276 4.823 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.582 3.285 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.773 3.278 3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.240 4.958 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.076 3.484 3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.641 4.344 5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.189 2.716 5.189 1.00 0.00 H new ATOM 578 N THR A 37 4.577 4.513 0.043 1.00 0.00 N ATOM 579 CA THR A 37 3.909 3.902 -1.091 1.00 0.00 C ATOM 580 C THR A 37 4.838 2.886 -1.734 1.00 0.00 C ATOM 581 O THR A 37 6.042 3.129 -1.788 1.00 0.00 O ATOM 582 CB THR A 37 3.382 4.911 -2.125 1.00 0.00 C ATOM 583 OG1 THR A 37 4.408 5.212 -3.031 1.00 0.00 O ATOM 584 CG2 THR A 37 2.900 6.249 -1.545 1.00 0.00 C ATOM 0 H THR A 37 5.198 5.273 -0.235 1.00 0.00 H new ATOM 0 HA THR A 37 3.019 3.403 -0.708 1.00 0.00 H new ATOM 0 HB THR A 37 2.520 4.424 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.198 5.520 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.548 6.890 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.085 6.069 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.724 6.738 -1.026 1.00 0.00 H new ATOM 592 N ILE A 38 4.282 1.764 -2.179 1.00 0.00 N ATOM 593 CA ILE A 38 5.071 0.689 -2.815 1.00 0.00 C ATOM 594 C ILE A 38 4.930 0.691 -4.319 1.00 0.00 C ATOM 595 O ILE A 38 5.813 0.305 -5.083 1.00 0.00 O ATOM 596 CB ILE A 38 4.574 -0.705 -2.376 1.00 0.00 C ATOM 597 CG1 ILE A 38 3.866 -0.706 -0.999 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.878 -1.540 -2.309 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.362 -2.096 -0.611 1.00 0.00 C ATOM 0 H ILE A 38 3.284 1.565 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 38 6.100 0.878 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 38 3.823 -1.092 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.557 -0.346 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.027 -0.011 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.642 -2.559 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.351 -1.556 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.560 -1.093 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.873 -2.047 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.650 -2.447 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.204 -2.787 -0.560 1.00 0.00 H new ATOM 611 N CYS A 39 3.723 1.037 -4.727 1.00 0.00 N ATOM 612 CA CYS A 39 3.280 0.840 -6.066 1.00 0.00 C ATOM 613 C CYS A 39 2.122 1.705 -6.348 1.00 0.00 C ATOM 614 O CYS A 39 1.246 1.936 -5.510 1.00 0.00 O ATOM 615 CB CYS A 39 2.922 -0.613 -6.298 1.00 0.00 C ATOM 616 SG CYS A 39 1.878 -1.380 -5.033 1.00 0.00 S ATOM 0 H CYS A 39 3.026 1.467 -4.119 1.00 0.00 H new ATOM 0 HA CYS A 39 4.091 1.106 -6.744 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.414 -0.693 -7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.845 -1.187 -6.377 1.00 0.00 H new ATOM 0 HG CYS A 39 1.936 -0.680 -3.939 1.00 0.00 H new ATOM 622 N LYS A 40 2.122 2.120 -7.588 1.00 0.00 N ATOM 623 CA LYS A 40 1.186 3.037 -8.107 1.00 0.00 C ATOM 624 C LYS A 40 0.416 2.437 -9.259 1.00 0.00 C ATOM 625 O LYS A 40 1.005 1.842 -10.155 1.00 0.00 O ATOM 626 CB LYS A 40 2.026 4.239 -8.521 1.00 0.00 C ATOM 627 CG LYS A 40 1.239 5.455 -8.933 1.00 0.00 C ATOM 628 CD LYS A 40 1.251 5.663 -10.434 1.00 0.00 C ATOM 629 CE LYS A 40 0.610 7.029 -10.629 1.00 0.00 C ATOM 630 NZ LYS A 40 0.713 7.546 -12.010 1.00 0.00 N ATOM 0 H LYS A 40 2.807 1.807 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 40 0.420 3.318 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.678 4.511 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.671 3.945 -9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.209 5.353 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.652 6.336 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.266 5.640 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.690 4.883 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.442 6.969 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.079 7.740 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.189 8.471 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.263 6.880 -12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.240 7.651 -12.413 1.00 0.00 H new ATOM 644 N ARG A 41 -0.889 2.642 -9.298 1.00 0.00 N ATOM 645 CA ARG A 41 -1.668 2.406 -10.500 1.00 0.00 C ATOM 646 C ARG A 41 -2.700 3.498 -10.625 1.00 0.00 C ATOM 647 O ARG A 41 -3.605 3.668 -9.824 1.00 0.00 O ATOM 648 CB ARG A 41 -2.314 1.028 -10.488 1.00 0.00 C ATOM 649 CG ARG A 41 -2.842 0.667 -11.880 1.00 0.00 C ATOM 650 CD ARG A 41 -4.026 -0.271 -11.674 1.00 0.00 C ATOM 651 NE ARG A 41 -4.562 -0.822 -12.920 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.165 -1.995 -13.068 1.00 0.00 C ATOM 653 NH1 ARG A 41 -5.134 -2.920 -12.128 1.00 0.00 N ATOM 654 NH2 ARG A 41 -5.689 -2.310 -14.231 1.00 0.00 N ATOM 0 H ARG A 41 -1.435 2.974 -8.503 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.009 2.427 -11.368 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.587 0.283 -10.164 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.132 1.010 -9.767 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.148 1.562 -12.421 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.066 0.185 -12.474 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.720 -1.092 -11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.819 0.267 -11.154 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.462 -0.248 -13.757 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.636 -2.744 -11.255 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.608 -3.811 -12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.630 -1.655 -15.011 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.154 -3.209 -14.354 1.00 0.00 H new ATOM 668 N GLY A 42 -2.578 4.224 -11.706 1.00 0.00 N ATOM 669 CA GLY A 42 -3.549 5.247 -12.050 1.00 0.00 C ATOM 670 C GLY A 42 -3.318 6.504 -11.246 1.00 0.00 C ATOM 671 O GLY A 42 -2.239 7.085 -11.320 1.00 0.00 O ATOM 0 H GLY A 42 -1.811 4.129 -12.372 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.482 5.474 -13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.557 4.874 -11.867 1.00 0.00 H new ATOM 675 N ASN A 43 -4.306 6.884 -10.447 1.00 0.00 N ATOM 676 CA ASN A 43 -4.142 7.858 -9.369 1.00 0.00 C ATOM 677 C ASN A 43 -3.951 7.198 -7.984 1.00 0.00 C ATOM 678 O ASN A 43 -3.874 7.910 -6.982 1.00 0.00 O ATOM 679 CB ASN A 43 -5.335 8.825 -9.403 1.00 0.00 C ATOM 680 CG ASN A 43 -6.604 8.188 -8.851 1.00 0.00 C ATOM 681 OD1 ASN A 43 -6.827 8.145 -7.648 1.00 0.00 O ATOM 682 ND2 ASN A 43 -7.482 7.669 -9.697 1.00 0.00 N ATOM 0 H ASN A 43 -5.256 6.522 -10.528 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.220 8.416 -9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.095 9.716 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.509 9.149 -10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.336 7.238 -9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.303 7.701 -10.701 1.00 0.00 H new ATOM 689 N THR A 44 -3.891 5.862 -7.945 1.00 0.00 N ATOM 690 CA THR A 44 -3.842 5.097 -6.676 1.00 0.00 C ATOM 691 C THR A 44 -2.454 4.556 -6.398 1.00 0.00 C ATOM 692 O THR A 44 -1.636 4.398 -7.300 1.00 0.00 O ATOM 693 CB THR A 44 -4.995 4.083 -6.522 1.00 0.00 C ATOM 694 OG1 THR A 44 -5.078 3.617 -5.213 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.048 2.887 -7.467 1.00 0.00 C ATOM 0 H THR A 44 -3.875 5.277 -8.780 1.00 0.00 H new ATOM 0 HA THR A 44 -4.034 5.801 -5.866 1.00 0.00 H new ATOM 0 HB THR A 44 -5.853 4.690 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.894 3.962 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.916 2.272 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.125 3.239 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.141 2.293 -7.354 1.00 0.00 H new ATOM 703 N TYR A 45 -2.150 4.411 -5.112 1.00 0.00 N ATOM 704 CA TYR A 45 -0.873 4.333 -4.461 1.00 0.00 C ATOM 705 C TYR A 45 -1.197 3.490 -3.249 1.00 0.00 C ATOM 706 O TYR A 45 -1.970 3.863 -2.357 1.00 0.00 O ATOM 707 CB TYR A 45 -0.342 5.689 -4.001 1.00 0.00 C ATOM 708 CG TYR A 45 0.154 6.568 -5.120 1.00 0.00 C ATOM 709 CD1 TYR A 45 1.533 6.720 -5.361 1.00 0.00 C ATOM 710 CD2 TYR A 45 -0.788 7.225 -5.924 1.00 0.00 C ATOM 711 CE1 TYR A 45 1.976 7.597 -6.364 1.00 0.00 C ATOM 712 CE2 TYR A 45 -0.356 8.106 -6.931 1.00 0.00 C ATOM 713 CZ TYR A 45 1.028 8.321 -7.122 1.00 0.00 C ATOM 714 OH TYR A 45 1.450 9.168 -8.097 1.00 0.00 O ATOM 0 H TYR A 45 -2.901 4.337 -4.425 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.102 3.941 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.133 6.214 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.471 5.528 -3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.249 6.163 -4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.843 7.055 -5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.032 7.717 -6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.076 8.615 -7.554 1.00 0.00 H new ATOM 0 HH TYR A 45 0.674 9.587 -8.525 1.00 0.00 H new ATOM 724 N LEU A 46 -0.674 2.287 -3.290 1.00 0.00 N ATOM 725 CA LEU A 46 -0.797 1.360 -2.206 1.00 0.00 C ATOM 726 C LEU A 46 0.310 1.732 -1.231 1.00 0.00 C ATOM 727 O LEU A 46 1.470 1.803 -1.644 1.00 0.00 O ATOM 728 CB LEU A 46 -0.601 -0.013 -2.824 1.00 0.00 C ATOM 729 CG LEU A 46 -1.615 -1.113 -2.465 1.00 0.00 C ATOM 730 CD1 LEU A 46 -1.937 -1.420 -1.005 1.00 0.00 C ATOM 731 CD2 LEU A 46 -2.968 -0.762 -3.067 1.00 0.00 C ATOM 0 H LEU A 46 -0.148 1.928 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.750 1.372 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.604 0.104 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.391 -0.368 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.096 -1.990 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.672 -2.224 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.028 -1.728 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.342 -0.528 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.691 -1.538 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.308 0.193 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.876 -0.689 -4.151 1.00 0.00 H new ATOM 743 N CYS A 47 -0.045 2.000 0.018 1.00 0.00 N ATOM 744 CA CYS A 47 0.886 2.499 1.018 1.00 0.00 C ATOM 745 C CYS A 47 0.763 1.714 2.320 1.00 0.00 C ATOM 746 O CYS A 47 -0.170 0.935 2.505 1.00 0.00 O ATOM 747 CB CYS A 47 0.632 3.995 1.290 1.00 0.00 C ATOM 748 SG CYS A 47 0.147 4.928 -0.181 1.00 0.00 S ATOM 0 H CYS A 47 -0.995 1.876 0.368 1.00 0.00 H new ATOM 0 HA CYS A 47 1.895 2.370 0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.149 4.091 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.536 4.438 1.709 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.809 4.299 -0.798 1.00 0.00 H new ATOM 754 N PHE A 48 1.672 1.956 3.264 1.00 0.00 N ATOM 755 CA PHE A 48 1.692 1.238 4.541 1.00 0.00 C ATOM 756 C PHE A 48 2.018 2.092 5.757 1.00 0.00 C ATOM 757 O PHE A 48 2.665 3.133 5.631 1.00 0.00 O ATOM 758 CB PHE A 48 2.635 0.027 4.395 1.00 0.00 C ATOM 759 CG PHE A 48 4.103 0.366 4.251 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.709 0.382 2.983 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.868 0.617 5.399 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.103 0.548 2.892 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.251 0.794 5.308 1.00 0.00 C ATOM 764 CZ PHE A 48 6.878 0.714 4.053 1.00 0.00 C ATOM 0 H PHE A 48 2.412 2.651 3.168 1.00 0.00 H new ATOM 0 HA PHE A 48 0.675 0.905 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.511 -0.617 5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.325 -0.551 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.112 0.268 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.384 0.674 6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.581 0.548 1.924 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.834 0.991 6.196 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.954 0.780 3.981 1.00 0.00 H new ATOM 774 N ASP A 49 1.605 1.576 6.918 1.00 0.00 N ATOM 775 CA ASP A 49 2.220 1.844 8.210 1.00 0.00 C ATOM 776 C ASP A 49 2.871 0.536 8.671 1.00 0.00 C ATOM 777 O ASP A 49 3.014 -0.440 7.954 1.00 0.00 O ATOM 778 CB ASP A 49 1.180 2.175 9.281 1.00 0.00 C ATOM 779 CG ASP A 49 0.472 3.499 9.198 1.00 0.00 C ATOM 780 OD1 ASP A 49 1.114 4.468 8.759 1.00 0.00 O ATOM 781 OD2 ASP A 49 -0.617 3.660 9.726 1.00 0.00 O1- ATOM 0 H ASP A 49 0.809 0.942 6.981 1.00 0.00 H new ATOM 0 HA ASP A 49 2.910 2.680 8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.423 1.391 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.673 2.121 10.252 1.00 0.00 H new ATOM 786 N ASP A 50 3.173 0.481 9.945 1.00 0.00 N ATOM 787 CA ASP A 50 3.731 -0.750 10.561 1.00 0.00 C ATOM 788 C ASP A 50 2.780 -1.929 10.542 1.00 0.00 C ATOM 789 O ASP A 50 3.203 -3.098 10.520 1.00 0.00 O ATOM 790 CB ASP A 50 4.125 -0.490 12.031 1.00 0.00 C ATOM 791 CG ASP A 50 5.647 -0.530 12.304 1.00 0.00 C ATOM 792 OD1 ASP A 50 6.047 -1.572 12.897 1.00 0.00 O ATOM 793 OD2 ASP A 50 6.377 0.457 12.000 1.00 0.00 O1- ATOM 0 H ASP A 50 3.051 1.259 10.593 1.00 0.00 H new ATOM 0 HA ASP A 50 4.599 -1.004 9.952 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.741 0.485 12.330 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.636 -1.232 12.662 1.00 0.00 H new ATOM 798 N THR A 51 1.457 -1.643 10.590 1.00 0.00 N ATOM 799 CA THR A 51 0.441 -2.512 11.110 1.00 0.00 C ATOM 800 C THR A 51 -0.354 -3.241 9.993 1.00 0.00 C ATOM 801 O THR A 51 -0.991 -4.252 10.244 1.00 0.00 O ATOM 802 CB THR A 51 -0.548 -1.660 11.905 1.00 0.00 C ATOM 803 OG1 THR A 51 -0.963 -0.562 11.144 1.00 0.00 O ATOM 804 CG2 THR A 51 0.045 -1.031 13.150 1.00 0.00 C ATOM 0 H THR A 51 1.081 -0.759 10.247 1.00 0.00 H new ATOM 0 HA THR A 51 0.932 -3.268 11.722 1.00 0.00 H new ATOM 0 HB THR A 51 -1.348 -2.353 12.167 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.942 -0.526 11.128 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.718 -0.443 13.659 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.405 -1.814 13.817 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.876 -0.383 12.870 1.00 0.00 H new ATOM 812 N ASN A 52 -0.387 -2.585 8.851 1.00 0.00 N ATOM 813 CA ASN A 52 -1.435 -2.599 7.838 1.00 0.00 C ATOM 814 C ASN A 52 -1.167 -1.534 6.801 1.00 0.00 C ATOM 815 O ASN A 52 -0.258 -0.690 6.922 1.00 0.00 O ATOM 816 CB ASN A 52 -2.871 -2.548 8.397 1.00 0.00 C ATOM 817 CG ASN A 52 -3.242 -1.386 9.282 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.389 -1.479 10.498 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.434 -0.199 8.721 1.00 0.00 N ATOM 0 H ASN A 52 0.383 -1.974 8.580 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.389 -3.575 7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.559 -2.558 7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.044 -3.465 8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.695 0.601 9.297 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.320 -0.087 7.714 1.00 0.00 H new ATOM 826 N LEU A 53 -1.981 -1.573 5.742 1.00 0.00 N ATOM 827 CA LEU A 53 -1.839 -0.804 4.550 1.00 0.00 C ATOM 828 C LEU A 53 -3.053 0.078 4.301 1.00 0.00 C ATOM 829 O LEU A 53 -4.064 -0.016 4.994 1.00 0.00 O ATOM 830 CB LEU A 53 -1.596 -1.789 3.418 1.00 0.00 C ATOM 831 CG LEU A 53 -0.135 -2.242 3.466 1.00 0.00 C ATOM 832 CD1 LEU A 53 -0.068 -3.624 4.062 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.527 -2.400 2.115 1.00 0.00 C ATOM 0 H LEU A 53 -2.797 -2.185 5.715 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.000 -0.113 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.261 -2.647 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.815 -1.322 2.458 1.00 0.00 H new ATOM 0 HG LEU A 53 0.373 -1.462 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.970 -3.954 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.480 -3.605 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.646 -4.314 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.559 -2.723 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.013 -3.145 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.512 -1.446 1.589 1.00 0.00 H new ATOM 845 N TYR A 54 -2.915 0.950 3.311 1.00 0.00 N ATOM 846 CA TYR A 54 -3.932 1.919 2.983 1.00 0.00 C ATOM 847 C TYR A 54 -3.827 2.182 1.485 1.00 0.00 C ATOM 848 O TYR A 54 -2.722 2.404 0.982 1.00 0.00 O ATOM 849 CB TYR A 54 -3.799 3.228 3.778 1.00 0.00 C ATOM 850 CG TYR A 54 -3.553 3.122 5.279 1.00 0.00 C ATOM 851 CD1 TYR A 54 -2.371 2.562 5.820 1.00 0.00 C ATOM 852 CD2 TYR A 54 -4.547 3.580 6.161 1.00 0.00 C ATOM 853 CE1 TYR A 54 -2.249 2.355 7.210 1.00 0.00 C ATOM 854 CE2 TYR A 54 -4.393 3.467 7.552 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.245 2.852 8.088 1.00 0.00 C ATOM 856 OH TYR A 54 -3.111 2.744 9.437 1.00 0.00 O ATOM 0 H TYR A 54 -2.088 0.999 2.715 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.909 1.519 3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.981 3.803 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.711 3.806 3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.557 2.291 5.164 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.445 4.027 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.399 1.819 7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.156 3.852 8.212 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.289 3.196 9.721 1.00 0.00 H new ATOM 866 N ALA A 55 -4.931 2.113 0.748 1.00 0.00 N ATOM 867 CA ALA A 55 -4.904 2.526 -0.653 1.00 0.00 C ATOM 868 C ALA A 55 -5.306 3.983 -0.687 1.00 0.00 C ATOM 869 O ALA A 55 -6.487 4.274 -0.515 1.00 0.00 O ATOM 870 CB ALA A 55 -5.817 1.624 -1.484 1.00 0.00 C ATOM 0 H ALA A 55 -5.835 1.784 1.085 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.913 2.424 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.790 1.940 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.475 0.592 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.838 1.696 -1.110 1.00 0.00 H new ATOM 876 N ILE A 56 -4.331 4.880 -0.879 1.00 0.00 N ATOM 877 CA ILE A 56 -4.639 6.283 -1.105 1.00 0.00 C ATOM 878 C ILE A 56 -4.918 6.470 -2.604 1.00 0.00 C ATOM 879 O ILE A 56 -4.032 6.295 -3.443 1.00 0.00 O ATOM 880 CB ILE A 56 -3.572 7.221 -0.506 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.596 7.219 1.048 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.914 8.657 -0.960 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.561 6.344 1.750 1.00 0.00 C ATOM 0 H ILE A 56 -3.336 4.656 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.540 6.576 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.591 6.883 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.463 8.245 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.587 6.900 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.179 9.352 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.899 8.708 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.906 8.927 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.683 6.431 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.700 5.305 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.559 6.670 1.471 1.00 0.00 H new ATOM 895 N THR A 57 -6.172 6.809 -2.924 1.00 0.00 N ATOM 896 CA THR A 57 -6.682 6.999 -4.290 1.00 0.00 C ATOM 897 C THR A 57 -6.995 8.484 -4.414 1.00 0.00 C ATOM 898 O THR A 57 -8.017 8.943 -3.892 1.00 0.00 O ATOM 899 CB THR A 57 -7.904 6.104 -4.515 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.526 4.761 -4.249 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.439 6.155 -5.933 1.00 0.00 C ATOM 0 H THR A 57 -6.887 6.965 -2.214 1.00 0.00 H new ATOM 0 HA THR A 57 -5.963 6.713 -5.057 1.00 0.00 H new ATOM 0 HB THR A 57 -8.690 6.466 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.296 4.171 -4.386 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.304 5.497 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.734 7.176 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.664 5.828 -6.626 1.00 0.00 H new ATOM 909 N GLY A 58 -6.076 9.255 -5.011 1.00 0.00 N ATOM 910 CA GLY A 58 -6.085 10.722 -5.021 1.00 0.00 C ATOM 911 C GLY A 58 -5.758 11.327 -3.648 1.00 0.00 C ATOM 912 O GLY A 58 -4.710 11.927 -3.436 1.00 0.00 O ATOM 0 H GLY A 58 -5.282 8.862 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.361 11.081 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.065 11.073 -5.344 1.00 0.00 H new ATOM 916 N ASP A 59 -6.709 11.119 -2.737 1.00 0.00 N ATOM 917 CA ASP A 59 -6.797 11.628 -1.350 1.00 0.00 C ATOM 918 C ASP A 59 -7.643 10.708 -0.426 1.00 0.00 C ATOM 919 O ASP A 59 -7.823 11.003 0.762 1.00 0.00 O ATOM 920 CB ASP A 59 -7.436 13.031 -1.392 1.00 0.00 C ATOM 921 CG ASP A 59 -6.609 14.157 -2.035 1.00 0.00 C ATOM 922 OD1 ASP A 59 -7.181 14.794 -2.956 1.00 0.00 O ATOM 923 OD2 ASP A 59 -5.496 14.503 -1.562 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.516 10.537 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.789 11.657 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.382 12.956 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.672 13.326 -0.370 1.00 0.00 H new ATOM 928 N VAL A 60 -8.211 9.605 -0.963 1.00 0.00 N ATOM 929 CA VAL A 60 -9.109 8.658 -0.297 1.00 0.00 C ATOM 930 C VAL A 60 -8.267 7.636 0.441 1.00 0.00 C ATOM 931 O VAL A 60 -7.756 6.730 -0.192 1.00 0.00 O ATOM 932 CB VAL A 60 -10.027 7.914 -1.306 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.802 6.737 -0.663 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.002 8.898 -1.961 1.00 0.00 C ATOM 0 H VAL A 60 -8.039 9.344 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.748 9.218 0.386 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.376 7.483 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.426 6.257 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.094 6.011 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.432 7.113 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.639 8.364 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.620 9.363 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.441 9.668 -2.491 1.00 0.00 H new ATOM 944 N VAL A 61 -8.141 7.773 1.754 1.00 0.00 N ATOM 945 CA VAL A 61 -7.377 6.823 2.583 1.00 0.00 C ATOM 946 C VAL A 61 -8.248 5.641 2.994 1.00 0.00 C ATOM 947 O VAL A 61 -9.000 5.663 3.974 1.00 0.00 O ATOM 948 CB VAL A 61 -6.676 7.525 3.748 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.619 8.165 4.778 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.693 6.597 4.469 1.00 0.00 C ATOM 0 H VAL A 61 -8.560 8.539 2.282 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.569 6.403 1.983 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.134 8.341 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.031 8.638 5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.238 8.916 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.257 7.396 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.218 7.136 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.230 5.735 4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.931 6.259 3.767 1.00 0.00 H new ATOM 960 N LEU A 62 -8.157 4.560 2.212 1.00 0.00 N ATOM 961 CA LEU A 62 -8.835 3.315 2.519 1.00 0.00 C ATOM 962 C LEU A 62 -7.892 2.409 3.339 1.00 0.00 C ATOM 963 O LEU A 62 -7.151 1.619 2.756 1.00 0.00 O ATOM 964 CB LEU A 62 -9.365 2.727 1.200 1.00 0.00 C ATOM 965 CG LEU A 62 -10.297 1.487 1.252 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.164 0.556 2.471 1.00 0.00 C ATOM 967 CD2 LEU A 62 -11.767 1.931 1.168 1.00 0.00 C ATOM 0 H LEU A 62 -7.610 4.533 1.352 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.708 3.447 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.900 3.520 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.503 2.466 0.586 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.969 0.899 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.872 -0.267 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.150 0.159 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.376 1.116 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.414 1.055 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.997 2.588 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.933 2.465 0.232 1.00 0.00 H new ATOM 979 N LYS A 63 -7.908 2.563 4.667 1.00 0.00 N ATOM 980 CA LYS A 63 -7.276 1.640 5.622 1.00 0.00 C ATOM 981 C LYS A 63 -7.743 0.179 5.497 1.00 0.00 C ATOM 982 O LYS A 63 -8.931 -0.141 5.567 1.00 0.00 O ATOM 983 CB LYS A 63 -7.405 2.142 7.075 1.00 0.00 C ATOM 984 CG LYS A 63 -8.798 2.071 7.726 1.00 0.00 C ATOM 985 CD LYS A 63 -8.738 2.556 9.191 1.00 0.00 C ATOM 986 CE LYS A 63 -8.101 1.569 10.183 1.00 0.00 C ATOM 987 NZ LYS A 63 -9.074 0.539 10.626 1.00 0.00 N ATOM 0 H LYS A 63 -8.371 3.351 5.121 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.221 1.635 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.714 1.568 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.072 3.179 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.501 2.685 7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.170 1.047 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.179 3.491 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.752 2.778 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.244 1.084 9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.726 2.114 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.612 -0.110 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.880 1.001 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.413 0.004 9.801 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.779 -0.732 5.362 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.998 -2.153 5.276 1.00 0.00 C ATOM 1003 C PHE A 64 -6.936 -2.724 6.688 1.00 0.00 C ATOM 1004 O PHE A 64 -6.022 -2.406 7.434 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.949 -2.726 4.348 1.00 0.00 C ATOM 1006 CG PHE A 64 -6.137 -2.408 2.868 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -7.387 -2.529 2.231 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -5.074 -1.838 2.164 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -7.542 -2.172 0.879 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -5.194 -1.454 0.828 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.414 -1.684 0.180 1.00 0.00 C ATOM 0 H PHE A 64 -5.792 -0.478 5.309 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.974 -2.410 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.972 -2.356 4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.934 -3.809 4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.236 -2.900 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.131 -1.690 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.499 -2.268 0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.368 -0.992 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.495 -1.484 -0.878 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.859 -3.612 7.047 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.782 -4.335 8.330 1.00 0.00 C ATOM 1023 C ALA A 65 -6.663 -5.372 8.409 1.00 0.00 C ATOM 1024 O ALA A 65 -6.664 -6.217 9.304 1.00 0.00 O ATOM 1025 CB ALA A 65 -9.132 -5.008 8.574 1.00 0.00 C ATOM 0 H ALA A 65 -8.669 -3.853 6.476 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.545 -3.600 9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.102 -5.551 9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.914 -4.250 8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.344 -5.704 7.762 1.00 0.00 H new ATOM 1031 N THR A 66 -5.732 -5.448 7.448 1.00 0.00 N ATOM 1032 CA THR A 66 -4.828 -6.560 7.286 1.00 0.00 C ATOM 1033 C THR A 66 -3.733 -6.011 6.435 1.00 0.00 C ATOM 1034 O THR A 66 -3.884 -4.994 5.756 1.00 0.00 O ATOM 1035 CB THR A 66 -5.479 -7.737 6.539 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.868 -7.766 6.740 1.00 0.00 O ATOM 1037 CG2 THR A 66 -5.073 -9.117 7.013 1.00 0.00 C ATOM 0 H THR A 66 -5.596 -4.714 6.753 1.00 0.00 H new ATOM 0 HA THR A 66 -4.504 -6.944 8.254 1.00 0.00 H new ATOM 0 HB THR A 66 -5.154 -7.556 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.253 -8.523 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.589 -9.872 6.420 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.996 -9.239 6.898 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.341 -9.235 8.063 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.718 -6.826 6.342 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.918 -6.778 5.158 1.00 0.00 C ATOM 1047 C VAL A 67 -2.634 -7.453 3.978 1.00 0.00 C ATOM 1048 O VAL A 67 -2.667 -6.886 2.894 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.600 -7.484 5.402 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.306 -6.739 4.472 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.169 -7.345 6.701 1.00 0.00 C ATOM 0 H VAL A 67 -2.435 -7.507 7.046 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.744 -5.731 4.911 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.844 -8.544 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.314 -7.147 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.058 -6.842 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.322 -5.684 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.081 -7.939 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.426 -6.298 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.447 -7.698 7.528 1.00 0.00 H new ATOM 1061 N SER A 68 -3.233 -8.646 4.165 1.00 0.00 N ATOM 1062 CA SER A 68 -3.760 -9.492 3.086 1.00 0.00 C ATOM 1063 C SER A 68 -4.739 -8.760 2.163 1.00 0.00 C ATOM 1064 O SER A 68 -4.748 -8.977 0.951 1.00 0.00 O ATOM 1065 CB SER A 68 -4.424 -10.745 3.679 1.00 0.00 C ATOM 1066 OG SER A 68 -3.677 -11.269 4.765 1.00 0.00 O ATOM 0 H SER A 68 -3.365 -9.053 5.091 1.00 0.00 H new ATOM 0 HA SER A 68 -2.909 -9.777 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.431 -10.499 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.523 -11.506 2.905 1.00 0.00 H new ATOM 0 HG SER A 68 -4.128 -12.064 5.119 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.529 -7.820 2.703 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.395 -6.928 1.944 1.00 0.00 C ATOM 1074 C LYS A 69 -5.661 -6.164 0.826 1.00 0.00 C ATOM 1075 O LYS A 69 -6.109 -6.175 -0.312 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.883 -5.857 2.914 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.623 -6.290 4.188 1.00 0.00 C ATOM 1078 CD LYS A 69 -9.084 -5.847 4.172 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.799 -6.939 3.362 1.00 0.00 C ATOM 1080 NZ LYS A 69 -11.116 -6.550 2.782 1.00 0.00 N ATOM 0 H LYS A 69 -5.579 -7.661 3.709 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.178 -7.539 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.017 -5.270 3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.543 -5.188 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.573 -7.374 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.124 -5.867 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.488 -5.771 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.198 -4.867 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.143 -7.253 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.947 -7.806 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.515 -7.354 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.766 -6.280 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.987 -5.744 2.137 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.544 -5.540 1.172 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.716 -4.784 0.240 1.00 0.00 C ATOM 1096 C ALA A 70 -3.237 -5.577 -0.985 1.00 0.00 C ATOM 1097 O ALA A 70 -3.040 -4.985 -2.049 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.563 -4.269 1.074 1.00 0.00 C ATOM 0 H ALA A 70 -4.180 -5.544 2.125 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.300 -3.983 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.890 -3.687 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.947 -3.638 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.020 -5.111 1.504 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.122 -6.918 -0.867 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.820 -7.778 -2.004 1.00 0.00 C ATOM 1106 C ARG A 71 -4.038 -7.901 -2.938 1.00 0.00 C ATOM 1107 O ARG A 71 -3.925 -7.621 -4.128 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.308 -9.155 -1.560 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.544 -9.834 -2.718 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.304 -10.623 -2.268 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.608 -12.044 -2.007 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.314 -13.020 -2.008 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.582 -12.826 -2.295 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.000 -14.277 -1.811 1.00 0.00 N ATOM 0 H ARG A 71 -3.237 -7.419 0.014 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.013 -7.308 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.653 -9.047 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.145 -9.780 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.222 -10.509 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.237 -9.072 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.466 -10.554 -3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.105 -10.169 -1.365 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.576 -12.300 -1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.914 -11.892 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.234 -13.610 -2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.972 -14.541 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.728 -14.992 -1.819 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.192 -8.238 -2.372 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.435 -8.319 -3.144 1.00 0.00 C ATOM 1130 C ALA A 72 -6.854 -6.965 -3.735 1.00 0.00 C ATOM 1131 O ALA A 72 -7.539 -6.934 -4.757 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.449 -8.947 -2.187 1.00 0.00 C ATOM 0 H ALA A 72 -5.296 -8.460 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.333 -8.933 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.412 -9.044 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.099 -9.933 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.561 -8.313 -1.308 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.358 -5.819 -3.194 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.598 -4.498 -3.734 1.00 0.00 C ATOM 1140 C TYR A 73 -5.924 -4.334 -5.104 1.00 0.00 C ATOM 1141 O TYR A 73 -6.487 -3.814 -6.058 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.158 -3.394 -2.792 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.681 -2.072 -3.312 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -7.961 -1.567 -2.924 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -5.936 -1.384 -4.300 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -8.447 -0.342 -3.447 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -6.446 -0.177 -4.828 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.662 0.372 -4.380 1.00 0.00 C ATOM 1149 OH TYR A 73 -8.063 1.598 -4.849 1.00 0.00 O ATOM 0 H TYR A 73 -5.774 -5.812 -2.358 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.677 -4.404 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.538 -3.581 -1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.071 -3.369 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.565 -2.125 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.991 -1.776 -4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.407 0.041 -3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.888 0.338 -5.596 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.397 1.940 -5.482 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.696 -4.777 -5.131 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.886 -4.714 -6.386 1.00 0.00 C ATOM 1161 C LEU A 74 -4.564 -5.320 -7.639 1.00 0.00 C ATOM 1162 O LEU A 74 -4.466 -4.765 -8.746 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.513 -5.342 -6.137 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.318 -4.398 -6.048 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.588 -3.206 -5.123 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.098 -5.131 -5.463 1.00 0.00 C ATOM 0 H LEU A 74 -4.213 -5.184 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.783 -3.656 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.565 -5.909 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.319 -6.057 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.135 -4.049 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.709 -2.563 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.439 -2.639 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.808 -3.567 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.746 -4.444 -5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.337 -5.496 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.162 -5.973 -6.104 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.252 -6.458 -7.435 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.024 -7.276 -8.340 1.00 0.00 C ATOM 1180 C GLU A 75 -7.605 -7.149 -8.088 1.00 0.00 C ATOM 1181 O GLU A 75 -8.341 -8.076 -8.404 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.498 -8.738 -8.320 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.437 -9.390 -6.897 1.00 0.00 C ATOM 1184 CD GLU A 75 -4.501 -10.608 -6.800 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -4.717 -11.450 -7.747 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -3.529 -10.719 -6.081 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.270 -6.864 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.883 -6.900 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.137 -9.349 -8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.500 -8.757 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.111 -8.638 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.442 -9.694 -6.606 1.00 0.00 H new ATOM 1193 N THR A 76 -8.032 -5.993 -7.543 1.00 0.00 N ATOM 1194 CA THR A 76 -9.462 -5.645 -7.210 1.00 0.00 C ATOM 1195 C THR A 76 -10.462 -5.498 -8.269 1.00 0.00 C ATOM 1196 O THR A 76 -11.448 -4.772 -8.067 1.00 0.00 O ATOM 1197 CB THR A 76 -9.502 -4.503 -6.189 1.00 0.00 C ATOM 1198 OG1 THR A 76 -10.804 -4.413 -5.584 1.00 0.00 O ATOM 1199 CG2 THR A 76 -9.229 -3.198 -6.938 1.00 0.00 C ATOM 0 H THR A 76 -7.385 -5.240 -7.308 1.00 0.00 H new ATOM 0 HA THR A 76 -9.825 -6.582 -6.787 1.00 0.00 H new ATOM 0 HB THR A 76 -8.761 -4.684 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.490 -4.398 -6.284 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.251 -2.364 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.248 -3.248 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.993 -3.050 -7.701 1.00 0.00 H new ATOM 1207 N LYS A 77 -10.326 -6.221 -9.413 1.00 0.00 N ATOM 1208 CA LYS A 77 -11.104 -6.105 -10.617 1.00 0.00 C ATOM 1209 C LYS A 77 -11.306 -7.504 -11.123 1.00 0.00 C ATOM 1210 O LYS A 77 -10.298 -8.266 -11.317 1.00 0.00 O ATOM 1211 CB LYS A 77 -10.502 -5.201 -11.721 1.00 0.00 C ATOM 1212 CG LYS A 77 -10.969 -3.748 -11.587 1.00 0.00 C ATOM 1213 CD LYS A 77 -10.045 -3.048 -10.586 1.00 0.00 C ATOM 1214 CE LYS A 77 -10.537 -1.686 -10.058 1.00 0.00 C ATOM 1215 NZ LYS A 77 -11.105 -0.745 -11.054 1.00 0.00 N ATOM 1216 OXT LYS A 77 -12.491 -7.773 -11.276 1.00 0.00 O1- ATOM 0 H LYS A 77 -9.611 -6.944 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.038 -5.601 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.414 -5.239 -11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.787 -5.585 -12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.935 -3.246 -12.554 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.003 -3.709 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.892 -3.712 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.073 -2.904 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.294 -1.871 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.701 -1.192 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.398 0.131 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.386 -0.524 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.930 -1.182 -11.513 1.00 0.00 H new TER 1230 LYS A 77