USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 706 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 58 LYS NZ :NH3+ 155:sc= 0.49! (180deg=-1.35!) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.811 K(o=1.3,f=-4.1) USER MOD Set 2.1: A 54 ASN :FLIP amide:sc= -1.56 F(o=-5.4!,f=-3.7) USER MOD Set 2.2: A 69 CYS SG : rot 180:sc= -2.13! USER MOD Set 3.1: A 52 SER OG : rot 85:sc= 0.358 USER MOD Set 3.2: A 70 THR OG1 : rot -54:sc= 0.919 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.013 (180deg=-0.179) USER MOD Single : A 2 HIS :FLIP no HD1:sc= 0.168 F(o=-1.3,f=0.17) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.01) USER MOD Single : A 7 THR OG1 : rot 63:sc= 0.246 USER MOD Single : A 8 SER OG : rot 180:sc= 0.141 USER MOD Single : A 15 SER OG : rot -125:sc= 0.98 USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= -4.86! (180deg=-8.48!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.00676 X(o=0.0068,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -140:sc= -1.56! USER MOD Single : A 26 ASN : amide:sc= 0.382 K(o=0.38,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= 1.13 (180deg=-0.169) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 132:sc= 1.26 (180deg=0.821) USER MOD Single : A 38 SER OG : rot 62:sc= 1.35 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 170:sc= -0.481 USER MOD Single : A 61 MET CE :methyl 137:sc= 0 (180deg=-3.45!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -34:sc= 0.256 USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -0.202 (180deg=-0.869) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.08 F(o=-6.7!,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 1.05 (180deg=0.996) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.34) USER MOD Single : A 81 HIS : no HD1:sc= -0.453 X(o=-0.45,f=-0.47) USER MOD Single : A 82 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=0) USER MOD Single : A 83 HIS :FLIP no HE2:sc= -0.0358 F(o=-0.59,f=-0.036) USER MOD Single : A 84 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=-0.069) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.428 -2.436 2.135 1.00 0.00 N ATOM 2 CA MET A 1 -23.993 -2.167 1.894 1.00 0.00 C ATOM 3 C MET A 1 -23.223 -2.211 3.208 1.00 0.00 C ATOM 4 O MET A 1 -23.537 -1.482 4.146 1.00 0.00 O ATOM 5 CB MET A 1 -23.802 -0.798 1.234 1.00 0.00 C ATOM 6 CG MET A 1 -24.476 -0.667 -0.121 1.00 0.00 C ATOM 7 SD MET A 1 -24.249 0.965 -0.855 1.00 0.00 S ATOM 8 CE MET A 1 -25.158 0.778 -2.385 1.00 0.00 C ATOM 0 H1 MET A 1 -25.910 -2.588 1.226 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.527 -3.286 2.726 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.857 -1.623 2.622 1.00 0.00 H new ATOM 0 HA MET A 1 -23.610 -2.937 1.224 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.193 -0.028 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.735 -0.608 1.118 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.076 -1.424 -0.796 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.542 -0.868 -0.013 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.110 1.707 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.719 -0.029 -2.972 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.199 0.541 -2.163 1.00 0.00 H new ATOM 20 N HIS A 2 -22.218 -3.068 3.273 1.00 0.00 N ATOM 21 CA HIS A 2 -21.436 -3.229 4.489 1.00 0.00 C ATOM 22 C HIS A 2 -20.079 -2.550 4.353 1.00 0.00 C ATOM 23 O HIS A 2 -19.252 -2.960 3.542 1.00 0.00 O ATOM 24 CB HIS A 2 -21.249 -4.716 4.811 1.00 0.00 C ATOM 25 CG HIS A 2 -20.439 -4.964 6.047 1.00 0.00 C ATOM 26 ND1 HIS A 2 -20.795 -4.996 7.354 1.00 0.00 N flip ATOM 27 CD2 HIS A 2 -19.084 -5.206 6.016 1.00 0.00 C flip ATOM 28 CE1 HIS A 2 -19.657 -5.250 8.079 1.00 0.00 C flip ATOM 29 NE2 HIS A 2 -18.642 -5.375 7.246 1.00 0.00 N flip ATOM 0 H HIS A 2 -21.924 -3.663 2.499 1.00 0.00 H new ATOM 0 HA HIS A 2 -21.979 -2.756 5.307 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -22.228 -5.180 4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -20.765 -5.204 3.965 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -18.478 -5.250 5.123 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -19.602 -5.334 9.154 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -17.676 -5.570 7.510 1.00 0.00 H new ATOM 38 N LYS A 3 -19.860 -1.514 5.149 1.00 0.00 N ATOM 39 CA LYS A 3 -18.575 -0.831 5.175 1.00 0.00 C ATOM 40 C LYS A 3 -17.595 -1.580 6.071 1.00 0.00 C ATOM 41 O LYS A 3 -17.900 -1.875 7.227 1.00 0.00 O ATOM 42 CB LYS A 3 -18.742 0.609 5.662 1.00 0.00 C ATOM 43 CG LYS A 3 -19.354 1.540 4.628 1.00 0.00 C ATOM 44 CD LYS A 3 -19.618 2.922 5.209 1.00 0.00 C ATOM 45 CE LYS A 3 -19.990 3.934 4.132 1.00 0.00 C ATOM 46 NZ LYS A 3 -18.840 4.256 3.245 1.00 0.00 N ATOM 0 H LYS A 3 -20.556 -1.127 5.786 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.176 -0.809 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.368 0.610 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.767 0.998 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.684 1.626 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.288 1.114 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -20.423 2.859 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.731 3.267 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.810 3.539 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.351 4.848 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.113 5.009 2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.036 4.577 3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.565 3.407 2.711 1.00 0.00 H new ATOM 60 N ASP A 4 -16.436 -1.905 5.520 1.00 0.00 N ATOM 61 CA ASP A 4 -15.388 -2.599 6.259 1.00 0.00 C ATOM 62 C ASP A 4 -14.039 -2.012 5.858 1.00 0.00 C ATOM 63 O ASP A 4 -13.980 -1.114 5.024 1.00 0.00 O ATOM 64 CB ASP A 4 -15.431 -4.101 5.964 1.00 0.00 C ATOM 65 CG ASP A 4 -14.849 -4.939 7.088 1.00 0.00 C ATOM 66 OD1 ASP A 4 -13.611 -5.035 7.193 1.00 0.00 O ATOM 67 OD2 ASP A 4 -15.633 -5.521 7.864 1.00 0.00 O ATOM 0 H ASP A 4 -16.194 -1.697 4.551 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.541 -2.466 7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.464 -4.403 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.881 -4.302 5.045 1.00 0.00 H new ATOM 72 N ILE A 5 -12.960 -2.509 6.430 1.00 0.00 N ATOM 73 CA ILE A 5 -11.644 -1.975 6.116 1.00 0.00 C ATOM 74 C ILE A 5 -11.037 -2.717 4.931 1.00 0.00 C ATOM 75 O ILE A 5 -10.560 -3.848 5.069 1.00 0.00 O ATOM 76 CB ILE A 5 -10.682 -2.050 7.322 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.227 -1.219 8.493 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.292 -1.565 6.927 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.420 0.249 8.165 1.00 0.00 C ATOM 0 H ILE A 5 -12.964 -3.272 7.107 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.779 -0.924 5.861 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.607 -3.090 7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.181 -1.639 8.811 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.543 -1.306 9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.627 -1.625 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.903 -2.191 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.351 -0.532 6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.807 0.770 9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.464 0.686 7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.128 0.348 7.342 1.00 0.00 H new ATOM 91 N PHE A 6 -11.092 -2.086 3.762 1.00 0.00 N ATOM 92 CA PHE A 6 -10.497 -2.668 2.562 1.00 0.00 C ATOM 93 C PHE A 6 -9.001 -2.892 2.762 1.00 0.00 C ATOM 94 O PHE A 6 -8.218 -1.944 2.808 1.00 0.00 O ATOM 95 CB PHE A 6 -10.739 -1.763 1.350 1.00 0.00 C ATOM 96 CG PHE A 6 -10.245 -2.334 0.048 1.00 0.00 C ATOM 97 CD1 PHE A 6 -11.011 -3.245 -0.660 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.016 -1.951 -0.470 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.561 -3.766 -1.858 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.563 -2.468 -1.667 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.335 -3.377 -2.362 1.00 0.00 C ATOM 0 H PHE A 6 -11.538 -1.180 3.620 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.972 -3.632 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.808 -1.565 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.250 -0.804 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.971 -3.552 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.407 -1.241 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.167 -4.477 -2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.605 -2.161 -2.060 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.981 -3.783 -3.298 1.00 0.00 H new ATOM 111 N THR A 7 -8.623 -4.150 2.909 1.00 0.00 N ATOM 112 CA THR A 7 -7.228 -4.512 3.069 1.00 0.00 C ATOM 113 C THR A 7 -6.796 -5.417 1.920 1.00 0.00 C ATOM 114 O THR A 7 -7.447 -6.427 1.639 1.00 0.00 O ATOM 115 CB THR A 7 -6.996 -5.229 4.414 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.617 -4.487 5.477 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.509 -5.379 4.701 1.00 0.00 C ATOM 0 H THR A 7 -9.267 -4.941 2.921 1.00 0.00 H new ATOM 0 HA THR A 7 -6.632 -3.599 3.059 1.00 0.00 H new ATOM 0 HB THR A 7 -7.440 -6.222 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.587 -4.465 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.372 -5.888 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.043 -5.963 3.908 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.046 -4.393 4.746 1.00 0.00 H new ATOM 125 N SER A 8 -5.712 -5.052 1.251 1.00 0.00 N ATOM 126 CA SER A 8 -5.249 -5.798 0.091 1.00 0.00 C ATOM 127 C SER A 8 -3.741 -5.629 -0.073 1.00 0.00 C ATOM 128 O SER A 8 -3.081 -5.072 0.797 1.00 0.00 O ATOM 129 CB SER A 8 -5.977 -5.305 -1.166 1.00 0.00 C ATOM 130 OG SER A 8 -5.774 -6.181 -2.265 1.00 0.00 O ATOM 0 H SER A 8 -5.137 -4.244 1.492 1.00 0.00 H new ATOM 0 HA SER A 8 -5.468 -6.856 0.236 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.044 -5.220 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.622 -4.307 -1.425 1.00 0.00 H new ATOM 0 HG SER A 8 -6.252 -5.839 -3.049 1.00 0.00 H new ATOM 136 N VAL A 9 -3.203 -6.115 -1.180 1.00 0.00 N ATOM 137 CA VAL A 9 -1.790 -5.948 -1.482 1.00 0.00 C ATOM 138 C VAL A 9 -1.622 -5.321 -2.861 1.00 0.00 C ATOM 139 O VAL A 9 -2.372 -5.632 -3.790 1.00 0.00 O ATOM 140 CB VAL A 9 -1.015 -7.288 -1.419 1.00 0.00 C ATOM 141 CG1 VAL A 9 -0.974 -7.819 0.006 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.629 -8.320 -2.358 1.00 0.00 C ATOM 0 H VAL A 9 -3.726 -6.631 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.372 -5.289 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 9 0.008 -7.100 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.425 -8.761 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.477 -7.094 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.991 -7.983 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.066 -9.251 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.665 -8.502 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.596 -7.946 -3.381 1.00 0.00 H new ATOM 152 N VAL A 10 -0.660 -4.422 -2.982 1.00 0.00 N ATOM 153 CA VAL A 10 -0.399 -3.753 -4.246 1.00 0.00 C ATOM 154 C VAL A 10 1.034 -4.028 -4.693 1.00 0.00 C ATOM 155 O VAL A 10 1.902 -4.323 -3.865 1.00 0.00 O ATOM 156 CB VAL A 10 -0.653 -2.227 -4.136 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.357 -1.566 -3.213 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.648 -1.566 -5.508 1.00 0.00 C ATOM 0 H VAL A 10 -0.046 -4.138 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.086 -4.149 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.643 -2.090 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.153 -0.497 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.281 -2.003 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.363 -1.723 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.829 -0.497 -5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.320 -1.723 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.432 -2.004 -6.126 1.00 0.00 H new ATOM 168 N ARG A 11 1.276 -3.963 -5.996 1.00 0.00 N ATOM 169 CA ARG A 11 2.608 -4.206 -6.524 1.00 0.00 C ATOM 170 C ARG A 11 3.462 -2.956 -6.421 1.00 0.00 C ATOM 171 O ARG A 11 3.071 -1.873 -6.861 1.00 0.00 O ATOM 172 CB ARG A 11 2.566 -4.686 -7.973 1.00 0.00 C ATOM 173 CG ARG A 11 1.835 -6.002 -8.164 1.00 0.00 C ATOM 174 CD ARG A 11 2.348 -6.736 -9.388 1.00 0.00 C ATOM 175 NE ARG A 11 3.677 -7.312 -9.162 1.00 0.00 N ATOM 176 CZ ARG A 11 4.791 -6.916 -9.780 1.00 0.00 C ATOM 177 NH1 ARG A 11 4.759 -5.917 -10.656 1.00 0.00 N ATOM 178 NH2 ARG A 11 5.938 -7.523 -9.511 1.00 0.00 N ATOM 0 H ARG A 11 0.571 -3.745 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 11 3.053 -4.996 -5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.085 -3.923 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.587 -4.792 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.965 -6.626 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.766 -5.817 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.649 -7.529 -9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.389 -6.049 -10.233 1.00 0.00 H new ATOM 0 HE ARG A 11 3.756 -8.070 -8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.878 -5.446 -10.861 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.616 -5.621 -11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.965 -8.287 -8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.794 -7.226 -9.979 1.00 0.00 H new ATOM 192 N VAL A 12 4.634 -3.127 -5.848 1.00 0.00 N ATOM 193 CA VAL A 12 5.549 -2.032 -5.604 1.00 0.00 C ATOM 194 C VAL A 12 6.592 -1.957 -6.712 1.00 0.00 C ATOM 195 O VAL A 12 7.065 -2.988 -7.197 1.00 0.00 O ATOM 196 CB VAL A 12 6.248 -2.207 -4.240 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.010 -0.958 -3.857 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.236 -2.559 -3.167 1.00 0.00 C ATOM 0 H VAL A 12 4.981 -4.034 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 12 4.977 -1.104 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 12 6.962 -3.026 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.493 -1.108 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.767 -0.747 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.320 -0.117 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.746 -2.679 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.498 -1.761 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.735 -3.491 -3.431 1.00 0.00 H new ATOM 208 N ARG A 13 6.958 -0.744 -7.106 1.00 0.00 N ATOM 209 CA ARG A 13 7.893 -0.559 -8.204 1.00 0.00 C ATOM 210 C ARG A 13 8.907 0.529 -7.870 1.00 0.00 C ATOM 211 O ARG A 13 8.622 1.724 -7.969 1.00 0.00 O ATOM 212 CB ARG A 13 7.139 -0.228 -9.497 1.00 0.00 C ATOM 213 CG ARG A 13 8.051 0.078 -10.675 1.00 0.00 C ATOM 214 CD ARG A 13 7.264 0.248 -11.965 1.00 0.00 C ATOM 215 NE ARG A 13 8.091 0.818 -13.025 1.00 0.00 N ATOM 216 CZ ARG A 13 8.426 0.182 -14.144 1.00 0.00 C ATOM 217 NH1 ARG A 13 8.003 -1.059 -14.373 1.00 0.00 N ATOM 218 NH2 ARG A 13 9.193 0.791 -15.038 1.00 0.00 N ATOM 0 H ARG A 13 6.623 0.121 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 13 8.438 -1.491 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.494 -1.068 -9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.490 0.629 -9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.617 0.987 -10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.775 -0.728 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.875 -0.719 -12.285 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.404 0.894 -11.786 1.00 0.00 H new ATOM 0 HE ARG A 13 8.436 1.770 -12.898 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.415 -1.532 -13.687 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.266 -1.537 -15.235 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.522 1.741 -14.865 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.454 0.310 -15.898 1.00 0.00 H new ATOM 232 N GLY A 14 10.092 0.099 -7.473 1.00 0.00 N ATOM 233 CA GLY A 14 11.138 1.017 -7.092 1.00 0.00 C ATOM 234 C GLY A 14 12.346 0.275 -6.579 1.00 0.00 C ATOM 235 O GLY A 14 12.368 -0.957 -6.596 1.00 0.00 O ATOM 0 H GLY A 14 10.349 -0.886 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.419 1.629 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.769 1.695 -6.323 1.00 0.00 H new ATOM 239 N SER A 15 13.342 1.006 -6.110 1.00 0.00 N ATOM 240 CA SER A 15 14.573 0.394 -5.642 1.00 0.00 C ATOM 241 C SER A 15 14.441 -0.007 -4.173 1.00 0.00 C ATOM 242 O SER A 15 14.885 0.704 -3.270 1.00 0.00 O ATOM 243 CB SER A 15 15.754 1.350 -5.852 1.00 0.00 C ATOM 244 OG SER A 15 16.993 0.671 -5.747 1.00 0.00 O ATOM 0 H SER A 15 13.322 2.024 -6.043 1.00 0.00 H new ATOM 0 HA SER A 15 14.762 -0.509 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.676 1.818 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.712 2.150 -5.113 1.00 0.00 H new ATOM 0 HG SER A 15 17.553 1.114 -5.076 1.00 0.00 H new ATOM 250 N LYS A 16 13.775 -1.133 -3.952 1.00 0.00 N ATOM 251 CA LYS A 16 13.596 -1.697 -2.622 1.00 0.00 C ATOM 252 C LYS A 16 13.227 -3.175 -2.742 1.00 0.00 C ATOM 253 O LYS A 16 12.579 -3.579 -3.705 1.00 0.00 O ATOM 254 CB LYS A 16 12.554 -0.893 -1.819 1.00 0.00 C ATOM 255 CG LYS A 16 11.362 -0.399 -2.632 1.00 0.00 C ATOM 256 CD LYS A 16 10.295 -1.461 -2.789 1.00 0.00 C ATOM 257 CE LYS A 16 9.475 -1.609 -1.517 1.00 0.00 C ATOM 258 NZ LYS A 16 8.678 -0.384 -1.214 1.00 0.00 N ATOM 0 H LYS A 16 13.342 -1.683 -4.694 1.00 0.00 H new ATOM 0 HA LYS A 16 14.532 -1.628 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.186 -1.515 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.049 -0.033 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.931 0.477 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.703 -0.081 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.639 -1.201 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.761 -2.415 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.803 -2.462 -1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.140 -1.824 -0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.985 0.014 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.824 0.320 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.669 -0.631 -1.161 1.00 0.00 H new ATOM 272 N LYS A 17 13.636 -3.969 -1.762 1.00 0.00 N ATOM 273 CA LYS A 17 13.634 -5.429 -1.896 1.00 0.00 C ATOM 274 C LYS A 17 12.263 -6.051 -1.582 1.00 0.00 C ATOM 275 O LYS A 17 12.180 -7.141 -1.014 1.00 0.00 O ATOM 276 CB LYS A 17 14.716 -6.015 -0.981 1.00 0.00 C ATOM 277 CG LYS A 17 15.118 -7.438 -1.336 1.00 0.00 C ATOM 278 CD LYS A 17 16.313 -7.899 -0.522 1.00 0.00 C ATOM 279 CE LYS A 17 16.756 -9.290 -0.934 1.00 0.00 C ATOM 280 NZ LYS A 17 18.028 -9.689 -0.278 1.00 0.00 N ATOM 0 H LYS A 17 13.975 -3.631 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 17 13.849 -5.673 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.599 -5.377 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.358 -5.995 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.277 -8.109 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.356 -7.495 -2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.138 -7.198 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.057 -7.895 0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.977 -10.008 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.880 -9.325 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.293 -10.646 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.779 -9.019 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.903 -9.682 0.754 1.00 0.00 H new ATOM 294 N TYR A 18 11.198 -5.371 -1.986 1.00 0.00 N ATOM 295 CA TYR A 18 9.833 -5.875 -1.811 1.00 0.00 C ATOM 296 C TYR A 18 8.916 -5.325 -2.899 1.00 0.00 C ATOM 297 O TYR A 18 8.585 -4.141 -2.903 1.00 0.00 O ATOM 298 CB TYR A 18 9.275 -5.509 -0.428 1.00 0.00 C ATOM 299 CG TYR A 18 9.693 -6.452 0.682 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.032 -7.660 0.869 1.00 0.00 C ATOM 301 CD2 TYR A 18 10.738 -6.137 1.544 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.399 -8.528 1.880 1.00 0.00 C ATOM 303 CE2 TYR A 18 11.113 -7.001 2.558 1.00 0.00 C ATOM 304 CZ TYR A 18 10.439 -8.195 2.722 1.00 0.00 C ATOM 305 OH TYR A 18 10.808 -9.061 3.731 1.00 0.00 O ATOM 0 H TYR A 18 11.250 -4.460 -2.442 1.00 0.00 H new ATOM 0 HA TYR A 18 9.871 -6.962 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.600 -4.500 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.187 -5.489 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.217 -7.925 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.266 -5.203 1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.874 -9.463 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.928 -6.743 3.217 1.00 0.00 H new ATOM 0 HH TYR A 18 11.558 -8.678 4.233 1.00 0.00 H new ATOM 315 N ASN A 19 8.502 -6.187 -3.821 1.00 0.00 N ATOM 316 CA ASN A 19 7.650 -5.762 -4.928 1.00 0.00 C ATOM 317 C ASN A 19 6.172 -5.867 -4.572 1.00 0.00 C ATOM 318 O ASN A 19 5.310 -5.686 -5.429 1.00 0.00 O ATOM 319 CB ASN A 19 7.929 -6.580 -6.195 1.00 0.00 C ATOM 320 CG ASN A 19 9.292 -6.297 -6.790 1.00 0.00 C ATOM 321 OD1 ASN A 19 10.268 -6.995 -6.504 1.00 0.00 O ATOM 322 ND2 ASN A 19 9.372 -5.267 -7.616 1.00 0.00 N ATOM 0 H ASN A 19 8.740 -7.179 -3.825 1.00 0.00 H new ATOM 0 HA ASN A 19 7.889 -4.716 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.854 -7.642 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.162 -6.363 -6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.266 -5.024 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.540 -4.716 -7.826 1.00 0.00 H new ATOM 329 N VAL A 20 5.878 -6.153 -3.311 1.00 0.00 N ATOM 330 CA VAL A 20 4.496 -6.209 -2.841 1.00 0.00 C ATOM 331 C VAL A 20 4.376 -5.625 -1.438 1.00 0.00 C ATOM 332 O VAL A 20 5.181 -5.931 -0.556 1.00 0.00 O ATOM 333 CB VAL A 20 3.928 -7.651 -2.842 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.642 -8.125 -4.260 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.886 -8.607 -2.148 1.00 0.00 C ATOM 0 H VAL A 20 6.576 -6.350 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 20 3.910 -5.613 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 20 2.988 -7.640 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.244 -9.140 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.912 -7.462 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.564 -8.113 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.468 -9.614 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.843 -8.605 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.035 -8.288 -1.116 1.00 0.00 H new ATOM 345 N VAL A 21 3.396 -4.755 -1.246 1.00 0.00 N ATOM 346 CA VAL A 21 3.125 -4.194 0.069 1.00 0.00 C ATOM 347 C VAL A 21 1.626 -4.243 0.386 1.00 0.00 C ATOM 348 O VAL A 21 0.788 -3.897 -0.452 1.00 0.00 O ATOM 349 CB VAL A 21 3.652 -2.741 0.189 1.00 0.00 C ATOM 350 CG1 VAL A 21 2.912 -1.796 -0.745 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.560 -2.248 1.621 1.00 0.00 C ATOM 0 H VAL A 21 2.775 -4.422 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 21 3.657 -4.806 0.798 1.00 0.00 H new ATOM 0 HB VAL A 21 4.700 -2.752 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.310 -0.787 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.045 -2.125 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.850 -1.797 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.936 -1.226 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.520 -2.271 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.158 -2.892 2.266 1.00 0.00 H new ATOM 361 N PRO A 22 1.272 -4.736 1.586 1.00 0.00 N ATOM 362 CA PRO A 22 -0.113 -4.750 2.058 1.00 0.00 C ATOM 363 C PRO A 22 -0.615 -3.356 2.431 1.00 0.00 C ATOM 364 O PRO A 22 -0.014 -2.658 3.256 1.00 0.00 O ATOM 365 CB PRO A 22 -0.065 -5.652 3.295 1.00 0.00 C ATOM 366 CG PRO A 22 1.338 -5.561 3.781 1.00 0.00 C ATOM 367 CD PRO A 22 2.192 -5.355 2.559 1.00 0.00 C ATOM 0 HA PRO A 22 -0.799 -5.102 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.769 -5.316 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.331 -6.679 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.455 -4.734 4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.627 -6.470 4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.044 -4.709 2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.592 -6.298 2.187 1.00 0.00 H new ATOM 375 N VAL A 23 -1.721 -2.964 1.818 1.00 0.00 N ATOM 376 CA VAL A 23 -2.319 -1.659 2.050 1.00 0.00 C ATOM 377 C VAL A 23 -3.696 -1.809 2.688 1.00 0.00 C ATOM 378 O VAL A 23 -4.347 -2.844 2.545 1.00 0.00 O ATOM 379 CB VAL A 23 -2.452 -0.852 0.738 1.00 0.00 C ATOM 380 CG1 VAL A 23 -1.089 -0.596 0.122 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.350 -1.572 -0.255 1.00 0.00 C ATOM 0 H VAL A 23 -2.228 -3.541 1.147 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.657 -1.116 2.725 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.908 0.107 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.208 -0.027 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.474 -0.030 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.605 -1.547 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.427 -0.983 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.926 -2.549 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.342 -1.701 0.178 1.00 0.00 H new ATOM 391 N LYS A 24 -4.129 -0.781 3.397 1.00 0.00 N ATOM 392 CA LYS A 24 -5.426 -0.795 4.056 1.00 0.00 C ATOM 393 C LYS A 24 -6.118 0.554 3.901 1.00 0.00 C ATOM 394 O LYS A 24 -5.515 1.520 3.432 1.00 0.00 O ATOM 395 CB LYS A 24 -5.271 -1.139 5.542 1.00 0.00 C ATOM 396 CG LYS A 24 -4.231 -0.288 6.258 1.00 0.00 C ATOM 397 CD LYS A 24 -4.256 -0.507 7.763 1.00 0.00 C ATOM 398 CE LYS A 24 -3.992 -1.958 8.133 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.041 -2.165 9.605 1.00 0.00 N ATOM 0 H LYS A 24 -3.598 0.080 3.532 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.041 -1.560 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.234 -1.015 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.997 -2.190 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.240 -0.527 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.412 0.765 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.507 0.129 8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.226 -0.203 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.731 -2.597 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.015 -2.259 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.857 -3.165 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.319 -1.573 10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.982 -1.902 9.961 1.00 0.00 H new ATOM 413 N SER A 25 -7.379 0.610 4.303 1.00 0.00 N ATOM 414 CA SER A 25 -8.150 1.839 4.237 1.00 0.00 C ATOM 415 C SER A 25 -8.393 2.386 5.640 1.00 0.00 C ATOM 416 O SER A 25 -8.836 1.660 6.530 1.00 0.00 O ATOM 417 CB SER A 25 -9.485 1.572 3.539 1.00 0.00 C ATOM 418 OG SER A 25 -9.282 0.950 2.279 1.00 0.00 O ATOM 0 H SER A 25 -7.891 -0.187 4.680 1.00 0.00 H new ATOM 0 HA SER A 25 -7.589 2.580 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.108 0.935 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.023 2.510 3.404 1.00 0.00 H new ATOM 0 HG SER A 25 -9.907 1.325 1.624 1.00 0.00 H new ATOM 424 N ASN A 26 -8.088 3.663 5.832 1.00 0.00 N ATOM 425 CA ASN A 26 -8.282 4.314 7.126 1.00 0.00 C ATOM 426 C ASN A 26 -9.765 4.552 7.391 1.00 0.00 C ATOM 427 O ASN A 26 -10.187 4.716 8.534 1.00 0.00 O ATOM 428 CB ASN A 26 -7.522 5.646 7.178 1.00 0.00 C ATOM 429 CG ASN A 26 -8.111 6.699 6.252 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.694 6.382 5.216 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.966 7.957 6.619 1.00 0.00 N ATOM 0 H ASN A 26 -7.705 4.271 5.108 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.889 3.654 7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.530 6.023 8.201 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.480 5.475 6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.343 8.705 6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.477 8.182 7.485 1.00 0.00 H new ATOM 438 N LYS A 27 -10.548 4.581 6.323 1.00 0.00 N ATOM 439 CA LYS A 27 -11.982 4.779 6.426 1.00 0.00 C ATOM 440 C LYS A 27 -12.694 3.529 5.922 1.00 0.00 C ATOM 441 O LYS A 27 -12.300 2.965 4.899 1.00 0.00 O ATOM 442 CB LYS A 27 -12.406 6.004 5.604 1.00 0.00 C ATOM 443 CG LYS A 27 -13.267 7.008 6.365 1.00 0.00 C ATOM 444 CD LYS A 27 -12.516 7.618 7.543 1.00 0.00 C ATOM 445 CE LYS A 27 -11.263 8.363 7.099 1.00 0.00 C ATOM 446 NZ LYS A 27 -11.575 9.562 6.276 1.00 0.00 N ATOM 0 H LYS A 27 -10.208 4.469 5.368 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.254 4.955 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.511 6.511 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.956 5.664 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.586 7.800 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.169 6.514 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.175 8.303 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.240 6.830 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.695 8.667 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.627 7.688 6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.122 9.471 5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.605 9.641 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.216 10.414 6.753 1.00 0.00 H new ATOM 460 N PRO A 28 -13.728 3.064 6.641 1.00 0.00 N ATOM 461 CA PRO A 28 -14.464 1.850 6.268 1.00 0.00 C ATOM 462 C PRO A 28 -15.230 2.009 4.957 1.00 0.00 C ATOM 463 O PRO A 28 -16.148 2.821 4.844 1.00 0.00 O ATOM 464 CB PRO A 28 -15.430 1.637 7.440 1.00 0.00 C ATOM 465 CG PRO A 28 -15.577 2.980 8.070 1.00 0.00 C ATOM 466 CD PRO A 28 -14.258 3.676 7.870 1.00 0.00 C ATOM 0 HA PRO A 28 -13.794 1.007 6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.391 1.256 7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.035 0.910 8.149 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.389 3.541 7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.815 2.890 9.130 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.385 4.753 7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.589 3.520 8.717 1.00 0.00 H new ATOM 474 N VAL A 29 -14.839 1.216 3.976 1.00 0.00 N ATOM 475 CA VAL A 29 -15.438 1.255 2.654 1.00 0.00 C ATOM 476 C VAL A 29 -16.346 0.050 2.430 1.00 0.00 C ATOM 477 O VAL A 29 -16.113 -1.026 2.982 1.00 0.00 O ATOM 478 CB VAL A 29 -14.352 1.299 1.561 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.749 2.691 1.461 1.00 0.00 C ATOM 480 CG2 VAL A 29 -13.271 0.277 1.846 1.00 0.00 C ATOM 0 H VAL A 29 -14.095 0.525 4.074 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.039 2.162 2.591 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.818 1.055 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.985 2.701 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -14.530 3.409 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.299 2.962 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.513 0.322 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.811 0.493 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.710 -0.720 1.869 1.00 0.00 H new ATOM 490 N GLU A 30 -17.393 0.243 1.640 1.00 0.00 N ATOM 491 CA GLU A 30 -18.366 -0.807 1.382 1.00 0.00 C ATOM 492 C GLU A 30 -17.731 -1.970 0.628 1.00 0.00 C ATOM 493 O GLU A 30 -16.911 -1.774 -0.271 1.00 0.00 O ATOM 494 CB GLU A 30 -19.561 -0.274 0.581 1.00 0.00 C ATOM 495 CG GLU A 30 -20.191 0.985 1.159 1.00 0.00 C ATOM 496 CD GLU A 30 -19.531 2.255 0.658 1.00 0.00 C ATOM 497 OE1 GLU A 30 -18.471 2.632 1.198 1.00 0.00 O ATOM 498 OE2 GLU A 30 -20.069 2.879 -0.275 1.00 0.00 O ATOM 0 H GLU A 30 -17.590 1.123 1.164 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.720 -1.161 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.237 -0.069 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.321 -1.053 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -21.250 1.006 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.126 0.952 2.247 1.00 0.00 H new ATOM 505 N ILE A 31 -18.135 -3.183 0.986 1.00 0.00 N ATOM 506 CA ILE A 31 -17.640 -4.393 0.335 1.00 0.00 C ATOM 507 C ILE A 31 -18.304 -4.602 -1.026 1.00 0.00 C ATOM 508 O ILE A 31 -18.365 -5.712 -1.544 1.00 0.00 O ATOM 509 CB ILE A 31 -17.877 -5.639 1.211 1.00 0.00 C ATOM 510 CG1 ILE A 31 -19.365 -5.779 1.547 1.00 0.00 C ATOM 511 CG2 ILE A 31 -17.040 -5.557 2.478 1.00 0.00 C ATOM 512 CD1 ILE A 31 -19.705 -7.058 2.276 1.00 0.00 C ATOM 0 H ILE A 31 -18.810 -3.357 1.730 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.568 -4.258 0.192 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.570 -6.525 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.672 -4.930 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.943 -5.733 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.216 -6.443 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.984 -5.503 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.319 -4.667 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.775 -7.087 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.430 -7.913 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.155 -7.098 3.216 1.00 0.00 H new ATOM 524 N SER A 32 -18.808 -3.523 -1.593 1.00 0.00 N ATOM 525 CA SER A 32 -19.349 -3.543 -2.938 1.00 0.00 C ATOM 526 C SER A 32 -18.490 -2.673 -3.851 1.00 0.00 C ATOM 527 O SER A 32 -18.789 -2.493 -5.029 1.00 0.00 O ATOM 528 CB SER A 32 -20.794 -3.042 -2.922 1.00 0.00 C ATOM 529 OG SER A 32 -21.579 -3.802 -2.015 1.00 0.00 O ATOM 0 H SER A 32 -18.854 -2.612 -1.137 1.00 0.00 H new ATOM 0 HA SER A 32 -19.339 -4.564 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.816 -1.990 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.219 -3.110 -3.924 1.00 0.00 H new ATOM 0 HG SER A 32 -22.499 -3.466 -2.018 1.00 0.00 H new ATOM 535 N LYS A 33 -17.401 -2.151 -3.294 1.00 0.00 N ATOM 536 CA LYS A 33 -16.535 -1.228 -4.018 1.00 0.00 C ATOM 537 C LYS A 33 -15.230 -1.898 -4.432 1.00 0.00 C ATOM 538 O LYS A 33 -14.268 -1.220 -4.797 1.00 0.00 O ATOM 539 CB LYS A 33 -16.244 0.004 -3.154 1.00 0.00 C ATOM 540 CG LYS A 33 -17.490 0.800 -2.788 1.00 0.00 C ATOM 541 CD LYS A 33 -18.169 1.372 -4.023 1.00 0.00 C ATOM 542 CE LYS A 33 -17.353 2.498 -4.642 1.00 0.00 C ATOM 543 NZ LYS A 33 -17.850 2.862 -5.994 1.00 0.00 N ATOM 0 H LYS A 33 -17.097 -2.353 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.055 -0.919 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.744 -0.314 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.550 0.655 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.189 0.158 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.219 1.611 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.314 0.581 -4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.158 1.744 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.391 3.373 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.308 2.195 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -17.949 3.895 -6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.175 2.532 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.774 2.414 -6.156 1.00 0.00 H new ATOM 557 N TRP A 34 -15.209 -3.233 -4.393 1.00 0.00 N ATOM 558 CA TRP A 34 -14.022 -4.000 -4.778 1.00 0.00 C ATOM 559 C TRP A 34 -13.528 -3.584 -6.158 1.00 0.00 C ATOM 560 O TRP A 34 -12.344 -3.302 -6.344 1.00 0.00 O ATOM 561 CB TRP A 34 -14.319 -5.503 -4.806 1.00 0.00 C ATOM 562 CG TRP A 34 -14.598 -6.114 -3.469 1.00 0.00 C ATOM 563 CD1 TRP A 34 -15.819 -6.322 -2.907 1.00 0.00 C ATOM 564 CD2 TRP A 34 -13.634 -6.628 -2.543 1.00 0.00 C ATOM 565 NE1 TRP A 34 -15.677 -6.920 -1.681 1.00 0.00 N ATOM 566 CE2 TRP A 34 -14.346 -7.116 -1.432 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.238 -6.714 -2.539 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -13.712 -7.685 -0.334 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.608 -7.282 -1.447 1.00 0.00 C ATOM 570 CH2 TRP A 34 -12.346 -7.758 -0.356 1.00 0.00 C ATOM 0 H TRP A 34 -16.001 -3.805 -4.099 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.255 -3.792 -4.032 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.177 -5.677 -5.455 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -13.470 -6.018 -5.255 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -16.762 -6.055 -3.360 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -16.441 -7.177 -1.056 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -11.662 -6.343 -3.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -14.278 -8.057 0.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -10.531 -7.360 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -11.826 -8.192 0.485 1.00 0.00 H new ATOM 581 N ILE A 35 -14.456 -3.534 -7.109 1.00 0.00 N ATOM 582 CA ILE A 35 -14.134 -3.257 -8.506 1.00 0.00 C ATOM 583 C ILE A 35 -13.336 -1.962 -8.666 1.00 0.00 C ATOM 584 O ILE A 35 -12.273 -1.957 -9.291 1.00 0.00 O ATOM 585 CB ILE A 35 -15.419 -3.205 -9.375 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.099 -2.724 -10.795 1.00 0.00 C ATOM 587 CG2 ILE A 35 -16.485 -2.325 -8.729 1.00 0.00 C ATOM 588 CD1 ILE A 35 -16.297 -2.708 -11.719 1.00 0.00 C ATOM 0 H ILE A 35 -15.450 -3.684 -6.934 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.507 -4.078 -8.854 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.818 -4.217 -9.442 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.679 -1.719 -10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.331 -3.369 -11.222 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.374 -2.307 -9.360 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.744 -2.727 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.100 -1.311 -8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.992 -2.357 -12.705 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -16.705 -3.715 -11.803 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -17.059 -2.041 -11.316 1.00 0.00 H new ATOM 600 N ASP A 36 -13.830 -0.883 -8.072 1.00 0.00 N ATOM 601 CA ASP A 36 -13.227 0.432 -8.247 1.00 0.00 C ATOM 602 C ASP A 36 -11.828 0.479 -7.657 1.00 0.00 C ATOM 603 O ASP A 36 -10.889 0.922 -8.314 1.00 0.00 O ATOM 604 CB ASP A 36 -14.103 1.519 -7.616 1.00 0.00 C ATOM 605 CG ASP A 36 -15.454 1.639 -8.291 1.00 0.00 C ATOM 606 OD1 ASP A 36 -15.502 2.048 -9.473 1.00 0.00 O ATOM 607 OD2 ASP A 36 -16.477 1.332 -7.643 1.00 0.00 O ATOM 0 H ASP A 36 -14.649 -0.893 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.152 0.620 -9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.247 1.297 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.586 2.477 -7.673 1.00 0.00 H new ATOM 612 N PHE A 37 -11.686 -0.004 -6.429 1.00 0.00 N ATOM 613 CA PHE A 37 -10.397 0.019 -5.752 1.00 0.00 C ATOM 614 C PHE A 37 -9.399 -0.915 -6.429 1.00 0.00 C ATOM 615 O PHE A 37 -8.212 -0.599 -6.518 1.00 0.00 O ATOM 616 CB PHE A 37 -10.548 -0.344 -4.273 1.00 0.00 C ATOM 617 CG PHE A 37 -11.140 0.764 -3.444 1.00 0.00 C ATOM 618 CD1 PHE A 37 -10.329 1.758 -2.918 1.00 0.00 C ATOM 619 CD2 PHE A 37 -12.503 0.818 -3.200 1.00 0.00 C ATOM 620 CE1 PHE A 37 -10.865 2.783 -2.162 1.00 0.00 C ATOM 621 CE2 PHE A 37 -13.045 1.842 -2.445 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.225 2.825 -1.925 1.00 0.00 C ATOM 0 H PHE A 37 -12.444 -0.415 -5.884 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.010 1.036 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.178 -1.229 -4.186 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.570 -0.607 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.265 1.731 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.149 0.052 -3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.221 3.550 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.109 1.873 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.647 3.625 -1.334 1.00 0.00 H new ATOM 632 N SER A 38 -9.881 -2.053 -6.918 1.00 0.00 N ATOM 633 CA SER A 38 -9.020 -3.010 -7.605 1.00 0.00 C ATOM 634 C SER A 38 -8.431 -2.395 -8.871 1.00 0.00 C ATOM 635 O SER A 38 -7.251 -2.577 -9.164 1.00 0.00 O ATOM 636 CB SER A 38 -9.793 -4.286 -7.952 1.00 0.00 C ATOM 637 OG SER A 38 -10.301 -4.907 -6.782 1.00 0.00 O ATOM 0 H SER A 38 -10.859 -2.335 -6.852 1.00 0.00 H new ATOM 0 HA SER A 38 -8.204 -3.270 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.615 -4.045 -8.626 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.139 -4.979 -8.481 1.00 0.00 H new ATOM 0 HG SER A 38 -10.930 -4.301 -6.337 1.00 0.00 H new ATOM 643 N ASN A 39 -9.254 -1.649 -9.602 1.00 0.00 N ATOM 644 CA ASN A 39 -8.811 -0.996 -10.832 1.00 0.00 C ATOM 645 C ASN A 39 -7.725 0.030 -10.539 1.00 0.00 C ATOM 646 O ASN A 39 -6.729 0.116 -11.256 1.00 0.00 O ATOM 647 CB ASN A 39 -9.984 -0.311 -11.542 1.00 0.00 C ATOM 648 CG ASN A 39 -11.006 -1.292 -12.090 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.675 -2.425 -12.445 1.00 0.00 O ATOM 650 ND2 ASN A 39 -12.254 -0.862 -12.169 1.00 0.00 N ATOM 0 H ASN A 39 -10.232 -1.481 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.404 -1.768 -11.486 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.477 0.366 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.600 0.298 -12.360 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.983 -1.475 -12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.488 0.083 -11.865 1.00 0.00 H new ATOM 657 N VAL A 40 -7.918 0.796 -9.472 1.00 0.00 N ATOM 658 CA VAL A 40 -6.979 1.848 -9.104 1.00 0.00 C ATOM 659 C VAL A 40 -5.644 1.262 -8.658 1.00 0.00 C ATOM 660 O VAL A 40 -4.590 1.673 -9.139 1.00 0.00 O ATOM 661 CB VAL A 40 -7.553 2.743 -7.985 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.582 3.853 -7.614 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.886 3.331 -8.409 1.00 0.00 C ATOM 0 H VAL A 40 -8.718 0.708 -8.845 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.816 2.459 -9.992 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.706 2.120 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.015 4.466 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.647 3.416 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.387 4.473 -8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.277 3.959 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.749 3.932 -9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.590 2.525 -8.615 1.00 0.00 H new ATOM 673 N LEU A 41 -5.696 0.286 -7.758 1.00 0.00 N ATOM 674 CA LEU A 41 -4.482 -0.322 -7.218 1.00 0.00 C ATOM 675 C LEU A 41 -3.724 -1.093 -8.297 1.00 0.00 C ATOM 676 O LEU A 41 -2.500 -1.197 -8.254 1.00 0.00 O ATOM 677 CB LEU A 41 -4.819 -1.247 -6.048 1.00 0.00 C ATOM 678 CG LEU A 41 -5.434 -0.552 -4.831 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.737 -1.567 -3.743 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.507 0.532 -4.302 1.00 0.00 C ATOM 0 H LEU A 41 -6.563 -0.102 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.839 0.481 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.510 -2.014 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.909 -1.758 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.367 -0.081 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.174 -1.059 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.440 -2.308 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.815 -2.063 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.965 1.012 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.556 0.087 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.335 1.275 -5.081 1.00 0.00 H new ATOM 692 N SER A 42 -4.452 -1.619 -9.272 1.00 0.00 N ATOM 693 CA SER A 42 -3.837 -2.361 -10.364 1.00 0.00 C ATOM 694 C SER A 42 -3.099 -1.409 -11.310 1.00 0.00 C ATOM 695 O SER A 42 -2.208 -1.819 -12.061 1.00 0.00 O ATOM 696 CB SER A 42 -4.906 -3.151 -11.125 1.00 0.00 C ATOM 697 OG SER A 42 -4.325 -4.093 -12.010 1.00 0.00 O ATOM 0 H SER A 42 -5.468 -1.546 -9.329 1.00 0.00 H new ATOM 0 HA SER A 42 -3.111 -3.061 -9.949 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.552 -3.668 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.537 -2.463 -11.688 1.00 0.00 H new ATOM 0 HG SER A 42 -5.033 -4.581 -12.479 1.00 0.00 H new ATOM 703 N ARG A 43 -3.472 -0.136 -11.257 1.00 0.00 N ATOM 704 CA ARG A 43 -2.865 0.885 -12.099 1.00 0.00 C ATOM 705 C ARG A 43 -1.883 1.738 -11.308 1.00 0.00 C ATOM 706 O ARG A 43 -1.236 2.630 -11.860 1.00 0.00 O ATOM 707 CB ARG A 43 -3.951 1.776 -12.705 1.00 0.00 C ATOM 708 CG ARG A 43 -4.708 1.129 -13.851 1.00 0.00 C ATOM 709 CD ARG A 43 -5.906 1.966 -14.273 1.00 0.00 C ATOM 710 NE ARG A 43 -5.605 3.397 -14.311 1.00 0.00 N ATOM 711 CZ ARG A 43 -5.800 4.174 -15.375 1.00 0.00 C ATOM 712 NH1 ARG A 43 -6.211 3.654 -16.524 1.00 0.00 N ATOM 713 NH2 ARG A 43 -5.572 5.476 -15.291 1.00 0.00 N ATOM 0 H ARG A 43 -4.199 0.215 -10.633 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.317 0.383 -12.897 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.660 2.051 -11.924 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.494 2.699 -13.060 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.039 0.996 -14.701 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.044 0.136 -13.552 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.242 1.643 -15.258 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.730 1.790 -13.581 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.221 3.827 -13.469 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.381 2.651 -16.598 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.358 4.257 -17.333 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.248 5.881 -14.413 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.721 6.073 -16.104 1.00 0.00 H new ATOM 727 N LEU A 44 -1.765 1.456 -10.022 1.00 0.00 N ATOM 728 CA LEU A 44 -0.915 2.244 -9.149 1.00 0.00 C ATOM 729 C LEU A 44 0.339 1.469 -8.777 1.00 0.00 C ATOM 730 O LEU A 44 0.342 0.680 -7.835 1.00 0.00 O ATOM 731 CB LEU A 44 -1.677 2.659 -7.886 1.00 0.00 C ATOM 732 CG LEU A 44 -0.889 3.528 -6.903 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.489 4.846 -7.549 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.705 3.781 -5.646 1.00 0.00 C ATOM 0 H LEU A 44 -2.248 0.686 -9.560 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.618 3.144 -9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.575 3.200 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.005 1.758 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 44 0.019 2.993 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.070 5.448 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.134 4.649 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.384 5.387 -7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.130 4.400 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.630 4.294 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.941 2.830 -5.168 1.00 0.00 H new ATOM 746 N TYR A 45 1.396 1.675 -9.540 1.00 0.00 N ATOM 747 CA TYR A 45 2.678 1.082 -9.221 1.00 0.00 C ATOM 748 C TYR A 45 3.527 2.085 -8.460 1.00 0.00 C ATOM 749 O TYR A 45 4.223 2.911 -9.053 1.00 0.00 O ATOM 750 CB TYR A 45 3.400 0.611 -10.484 1.00 0.00 C ATOM 751 CG TYR A 45 2.796 -0.637 -11.088 1.00 0.00 C ATOM 752 CD1 TYR A 45 1.735 -0.563 -11.983 1.00 0.00 C ATOM 753 CD2 TYR A 45 3.290 -1.892 -10.756 1.00 0.00 C ATOM 754 CE1 TYR A 45 1.184 -1.707 -12.530 1.00 0.00 C ATOM 755 CE2 TYR A 45 2.745 -3.038 -11.299 1.00 0.00 C ATOM 756 CZ TYR A 45 1.694 -2.940 -12.184 1.00 0.00 C ATOM 757 OH TYR A 45 1.147 -4.083 -12.726 1.00 0.00 O ATOM 0 H TYR A 45 1.391 2.248 -10.384 1.00 0.00 H new ATOM 0 HA TYR A 45 2.510 0.206 -8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.381 1.411 -11.225 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.447 0.421 -10.246 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.335 0.403 -12.255 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.114 -1.972 -10.062 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.359 -1.635 -13.224 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.141 -4.007 -11.031 1.00 0.00 H new ATOM 0 HH TYR A 45 1.621 -4.868 -12.381 1.00 0.00 H new ATOM 767 N VAL A 46 3.422 2.038 -7.145 1.00 0.00 N ATOM 768 CA VAL A 46 4.165 2.944 -6.287 1.00 0.00 C ATOM 769 C VAL A 46 5.363 2.216 -5.688 1.00 0.00 C ATOM 770 O VAL A 46 5.270 1.043 -5.337 1.00 0.00 O ATOM 771 CB VAL A 46 3.265 3.526 -5.167 1.00 0.00 C ATOM 772 CG1 VAL A 46 2.689 2.420 -4.294 1.00 0.00 C ATOM 773 CG2 VAL A 46 4.026 4.542 -4.324 1.00 0.00 C ATOM 0 H VAL A 46 2.826 1.378 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 46 4.518 3.780 -6.891 1.00 0.00 H new ATOM 0 HB VAL A 46 2.433 4.042 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.062 2.859 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.090 1.747 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.502 1.861 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.370 4.934 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.888 4.060 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.365 5.361 -4.959 1.00 0.00 H new ATOM 783 N GLY A 47 6.495 2.892 -5.620 1.00 0.00 N ATOM 784 CA GLY A 47 7.679 2.284 -5.059 1.00 0.00 C ATOM 785 C GLY A 47 8.085 2.927 -3.755 1.00 0.00 C ATOM 786 O GLY A 47 7.261 3.093 -2.857 1.00 0.00 O ATOM 0 H GLY A 47 6.616 3.852 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.498 1.221 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.499 2.363 -5.772 1.00 0.00 H new ATOM 790 N VAL A 48 9.364 3.271 -3.660 1.00 0.00 N ATOM 791 CA VAL A 48 9.915 3.980 -2.495 1.00 0.00 C ATOM 792 C VAL A 48 9.972 3.084 -1.247 1.00 0.00 C ATOM 793 O VAL A 48 9.085 2.261 -1.009 1.00 0.00 O ATOM 794 CB VAL A 48 9.102 5.268 -2.189 1.00 0.00 C ATOM 795 CG1 VAL A 48 9.610 5.975 -0.940 1.00 0.00 C ATOM 796 CG2 VAL A 48 9.145 6.215 -3.378 1.00 0.00 C ATOM 0 H VAL A 48 10.054 3.070 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 48 10.937 4.260 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 48 8.071 4.967 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.015 6.870 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.525 5.306 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.654 6.255 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.571 7.113 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.179 6.489 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.716 5.723 -4.251 1.00 0.00 H new ATOM 806 N PRO A 49 11.057 3.188 -0.460 1.00 0.00 N ATOM 807 CA PRO A 49 11.150 2.525 0.844 1.00 0.00 C ATOM 808 C PRO A 49 10.302 3.232 1.901 1.00 0.00 C ATOM 809 O PRO A 49 10.706 4.247 2.467 1.00 0.00 O ATOM 810 CB PRO A 49 12.636 2.618 1.185 1.00 0.00 C ATOM 811 CG PRO A 49 13.113 3.836 0.468 1.00 0.00 C ATOM 812 CD PRO A 49 12.286 3.937 -0.786 1.00 0.00 C ATOM 0 HA PRO A 49 10.778 1.501 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.791 2.705 2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.174 1.729 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.991 4.725 1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.174 3.757 0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.067 4.975 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.803 3.504 -1.642 1.00 0.00 H new ATOM 820 N THR A 50 9.112 2.710 2.138 1.00 0.00 N ATOM 821 CA THR A 50 8.192 3.317 3.076 1.00 0.00 C ATOM 822 C THR A 50 8.057 2.488 4.349 1.00 0.00 C ATOM 823 O THR A 50 8.444 1.322 4.383 1.00 0.00 O ATOM 824 CB THR A 50 6.811 3.498 2.431 1.00 0.00 C ATOM 825 OG1 THR A 50 6.486 2.349 1.637 1.00 0.00 O ATOM 826 CG2 THR A 50 6.776 4.747 1.562 1.00 0.00 C ATOM 0 H THR A 50 8.761 1.863 1.690 1.00 0.00 H new ATOM 0 HA THR A 50 8.599 4.292 3.345 1.00 0.00 H new ATOM 0 HB THR A 50 6.076 3.609 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.603 2.472 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.787 4.853 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.994 5.622 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.522 4.662 0.772 1.00 0.00 H new ATOM 834 N LYS A 51 7.515 3.097 5.397 1.00 0.00 N ATOM 835 CA LYS A 51 7.293 2.403 6.658 1.00 0.00 C ATOM 836 C LYS A 51 5.799 2.325 6.953 1.00 0.00 C ATOM 837 O LYS A 51 4.987 2.862 6.201 1.00 0.00 O ATOM 838 CB LYS A 51 8.030 3.105 7.803 1.00 0.00 C ATOM 839 CG LYS A 51 9.546 3.130 7.634 1.00 0.00 C ATOM 840 CD LYS A 51 10.242 3.708 8.858 1.00 0.00 C ATOM 841 CE LYS A 51 9.845 5.156 9.106 1.00 0.00 C ATOM 842 NZ LYS A 51 10.465 5.693 10.343 1.00 0.00 N ATOM 0 H LYS A 51 7.220 4.074 5.397 1.00 0.00 H new ATOM 0 HA LYS A 51 7.689 1.391 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.666 4.129 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.786 2.605 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.908 2.118 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.804 3.722 6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.994 3.108 9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.322 3.645 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.145 5.766 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.760 5.228 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.171 6.681 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.158 5.126 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.501 5.648 10.260 1.00 0.00 H new ATOM 856 N SER A 52 5.448 1.664 8.045 1.00 0.00 N ATOM 857 CA SER A 52 4.049 1.463 8.406 1.00 0.00 C ATOM 858 C SER A 52 3.346 2.795 8.647 1.00 0.00 C ATOM 859 O SER A 52 3.863 3.666 9.350 1.00 0.00 O ATOM 860 CB SER A 52 3.950 0.581 9.654 1.00 0.00 C ATOM 861 OG SER A 52 2.603 0.305 9.992 1.00 0.00 O ATOM 0 H SER A 52 6.114 1.255 8.701 1.00 0.00 H new ATOM 0 HA SER A 52 3.552 0.964 7.574 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.482 -0.355 9.482 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.441 1.077 10.491 1.00 0.00 H new ATOM 0 HG SER A 52 2.290 -0.471 9.482 1.00 0.00 H new ATOM 867 N GLY A 53 2.176 2.947 8.041 1.00 0.00 N ATOM 868 CA GLY A 53 1.404 4.157 8.214 1.00 0.00 C ATOM 869 C GLY A 53 1.691 5.173 7.132 1.00 0.00 C ATOM 870 O GLY A 53 1.518 6.377 7.334 1.00 0.00 O ATOM 0 H GLY A 53 1.748 2.250 7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.342 3.913 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.626 4.593 9.188 1.00 0.00 H new ATOM 874 N ASN A 54 2.132 4.695 5.978 1.00 0.00 N ATOM 875 CA ASN A 54 2.439 5.598 4.871 1.00 0.00 C ATOM 876 C ASN A 54 1.242 5.715 3.932 1.00 0.00 C ATOM 877 O ASN A 54 0.712 4.711 3.461 1.00 0.00 O ATOM 878 CB ASN A 54 3.694 5.151 4.098 1.00 0.00 C ATOM 879 CG ASN A 54 3.494 3.900 3.257 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.792 2.745 3.825 1.00 0.00 O flip ATOM 881 ND2 ASN A 54 3.099 3.973 2.094 1.00 0.00 N flip ATOM 0 H ASN A 54 2.284 3.706 5.782 1.00 0.00 H new ATOM 0 HA ASN A 54 2.651 6.579 5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.016 5.965 3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.501 4.972 4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.878 4.882 1.687 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.993 3.125 1.537 1.00 0.00 H new ATOM 888 N VAL A 55 0.796 6.941 3.689 1.00 0.00 N ATOM 889 CA VAL A 55 -0.313 7.166 2.773 1.00 0.00 C ATOM 890 C VAL A 55 0.211 7.278 1.348 1.00 0.00 C ATOM 891 O VAL A 55 0.863 8.264 1.000 1.00 0.00 O ATOM 892 CB VAL A 55 -1.107 8.458 3.085 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.377 8.504 2.254 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.445 8.590 4.560 1.00 0.00 C ATOM 0 H VAL A 55 1.181 7.787 4.109 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.983 6.315 2.892 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.466 9.300 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.928 9.417 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.120 8.490 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.997 7.638 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.002 9.513 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.052 7.740 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.525 8.613 5.144 1.00 0.00 H new ATOM 904 N VAL A 56 -0.063 6.273 0.527 1.00 0.00 N ATOM 905 CA VAL A 56 0.330 6.326 -0.874 1.00 0.00 C ATOM 906 C VAL A 56 -0.643 7.196 -1.660 1.00 0.00 C ATOM 907 O VAL A 56 -0.237 7.999 -2.499 1.00 0.00 O ATOM 908 CB VAL A 56 0.423 4.923 -1.520 1.00 0.00 C ATOM 909 CG1 VAL A 56 1.658 4.195 -1.026 1.00 0.00 C ATOM 910 CG2 VAL A 56 -0.824 4.096 -1.243 1.00 0.00 C ATOM 0 H VAL A 56 -0.550 5.420 0.803 1.00 0.00 H new ATOM 0 HA VAL A 56 1.328 6.764 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 56 0.499 5.059 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.709 3.210 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.548 4.767 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.606 4.084 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.723 3.117 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.947 3.972 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.697 4.606 -1.651 1.00 0.00 H new ATOM 920 N CYS A 57 -1.924 7.056 -1.358 1.00 0.00 N ATOM 921 CA CYS A 57 -2.947 7.852 -2.011 1.00 0.00 C ATOM 922 C CYS A 57 -3.863 8.467 -0.962 1.00 0.00 C ATOM 923 O CYS A 57 -4.677 7.772 -0.348 1.00 0.00 O ATOM 924 CB CYS A 57 -3.755 6.998 -2.996 1.00 0.00 C ATOM 925 SG CYS A 57 -4.855 7.954 -4.066 1.00 0.00 S ATOM 0 H CYS A 57 -2.279 6.398 -0.664 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.465 8.650 -2.576 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.065 6.428 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.348 6.276 -2.434 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.331 7.183 -4.999 1.00 0.00 H new ATOM 931 N LYS A 58 -3.700 9.761 -0.734 1.00 0.00 N ATOM 932 CA LYS A 58 -4.478 10.460 0.272 1.00 0.00 C ATOM 933 C LYS A 58 -5.744 11.017 -0.371 1.00 0.00 C ATOM 934 O LYS A 58 -5.676 11.667 -1.418 1.00 0.00 O ATOM 935 CB LYS A 58 -3.624 11.567 0.905 1.00 0.00 C ATOM 936 CG LYS A 58 -4.118 12.050 2.260 1.00 0.00 C ATOM 937 CD LYS A 58 -5.078 13.216 2.132 1.00 0.00 C ATOM 938 CE LYS A 58 -5.682 13.599 3.473 1.00 0.00 C ATOM 939 NZ LYS A 58 -6.742 12.650 3.902 1.00 0.00 N ATOM 0 H LYS A 58 -3.033 10.348 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.775 9.776 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.603 11.202 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.588 12.416 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.612 11.229 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.266 12.347 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.554 14.074 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.875 12.956 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.896 13.629 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.100 14.603 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.828 12.671 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.649 12.926 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.492 11.688 3.595 1.00 0.00 H new ATOM 953 N ASN A 59 -6.890 10.743 0.248 1.00 0.00 N ATOM 954 CA ASN A 59 -8.194 11.102 -0.314 1.00 0.00 C ATOM 955 C ASN A 59 -8.418 10.420 -1.658 1.00 0.00 C ATOM 956 O ASN A 59 -8.835 11.061 -2.625 1.00 0.00 O ATOM 957 CB ASN A 59 -8.344 12.621 -0.476 1.00 0.00 C ATOM 958 CG ASN A 59 -8.849 13.311 0.777 1.00 0.00 C ATOM 959 OD1 ASN A 59 -8.587 12.870 1.895 1.00 0.00 O ATOM 960 ND2 ASN A 59 -9.596 14.388 0.593 1.00 0.00 N ATOM 0 H ASN A 59 -6.943 10.268 1.149 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.949 10.755 0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.380 13.047 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.031 12.826 -1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.979 14.886 1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.789 14.720 -0.352 1.00 0.00 H new ATOM 967 N ILE A 60 -8.157 9.117 -1.714 1.00 0.00 N ATOM 968 CA ILE A 60 -8.351 8.356 -2.941 1.00 0.00 C ATOM 969 C ILE A 60 -9.816 8.406 -3.366 1.00 0.00 C ATOM 970 O ILE A 60 -10.720 8.307 -2.528 1.00 0.00 O ATOM 971 CB ILE A 60 -7.899 6.880 -2.790 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.046 6.137 -4.124 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.692 6.176 -1.696 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.590 4.692 -4.081 1.00 0.00 C ATOM 0 H ILE A 60 -7.812 8.569 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.729 8.816 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.848 6.874 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.091 6.168 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.474 6.665 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.356 5.143 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.536 6.688 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.753 6.193 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.727 4.238 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.536 4.651 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.179 4.146 -3.344 1.00 0.00 H new ATOM 986 N MET A 61 -10.043 8.623 -4.660 1.00 0.00 N ATOM 987 CA MET A 61 -11.396 8.700 -5.218 1.00 0.00 C ATOM 988 C MET A 61 -12.161 9.897 -4.652 1.00 0.00 C ATOM 989 O MET A 61 -13.373 10.012 -4.838 1.00 0.00 O ATOM 990 CB MET A 61 -12.165 7.400 -4.953 1.00 0.00 C ATOM 991 CG MET A 61 -11.776 6.256 -5.875 1.00 0.00 C ATOM 992 SD MET A 61 -12.475 6.432 -7.527 1.00 0.00 S ATOM 993 CE MET A 61 -12.053 4.842 -8.229 1.00 0.00 C ATOM 0 H MET A 61 -9.302 8.750 -5.349 1.00 0.00 H new ATOM 0 HA MET A 61 -11.304 8.837 -6.295 1.00 0.00 H new ATOM 0 HB2 MET A 61 -11.998 7.094 -3.920 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.233 7.593 -5.059 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.690 6.205 -5.947 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.111 5.314 -5.441 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.904 4.454 -8.789 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.200 4.955 -8.898 1.00 0.00 H new ATOM 0 HE3 MET A 61 -11.798 4.147 -7.429 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.436 10.784 -3.964 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.008 11.998 -3.380 1.00 0.00 C ATOM 1005 C ASN A 62 -13.138 11.680 -2.406 1.00 0.00 C ATOM 1006 O ASN A 62 -14.047 12.485 -2.210 1.00 0.00 O ATOM 1007 CB ASN A 62 -12.498 12.948 -4.480 1.00 0.00 C ATOM 1008 CG ASN A 62 -11.369 13.767 -5.082 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -11.060 14.856 -4.599 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -10.745 13.253 -6.133 1.00 0.00 N ATOM 0 H ASN A 62 -10.435 10.679 -3.797 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.217 12.492 -2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.983 12.370 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.251 13.620 -4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.978 13.764 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.032 12.347 -6.503 1.00 0.00 H new ATOM 1017 N THR A 63 -13.070 10.511 -1.782 1.00 0.00 N ATOM 1018 CA THR A 63 -14.062 10.124 -0.792 1.00 0.00 C ATOM 1019 C THR A 63 -13.503 10.309 0.623 1.00 0.00 C ATOM 1020 O THR A 63 -14.221 10.186 1.617 1.00 0.00 O ATOM 1021 CB THR A 63 -14.532 8.664 -1.004 1.00 0.00 C ATOM 1022 OG1 THR A 63 -15.565 8.327 -0.072 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.375 7.686 -0.859 1.00 0.00 C ATOM 0 H THR A 63 -12.340 9.817 -1.944 1.00 0.00 H new ATOM 0 HA THR A 63 -14.929 10.773 -0.915 1.00 0.00 H new ATOM 0 HB THR A 63 -14.925 8.589 -2.018 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.407 8.795 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.736 6.669 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.610 7.915 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.949 7.772 0.141 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.212 10.619 0.707 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.600 10.894 1.994 1.00 0.00 C ATOM 1033 C GLY A 64 -10.879 9.693 2.573 1.00 0.00 C ATOM 1034 O GLY A 64 -10.407 9.732 3.707 1.00 0.00 O ATOM 0 H GLY A 64 -11.581 10.684 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.894 11.718 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.369 11.222 2.694 1.00 0.00 H new ATOM 1038 N VAL A 65 -10.804 8.620 1.803 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.087 7.433 2.239 1.00 0.00 C ATOM 1040 C VAL A 65 -8.610 7.571 1.914 1.00 0.00 C ATOM 1041 O VAL A 65 -8.238 7.937 0.801 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.645 6.148 1.586 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.814 4.935 1.979 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.096 5.939 1.980 1.00 0.00 C ATOM 0 H VAL A 65 -11.228 8.546 0.878 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.223 7.345 3.317 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.589 6.267 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.226 4.043 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.785 5.077 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.835 4.815 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.473 5.030 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.169 5.846 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.689 6.791 1.648 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.780 7.300 2.899 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.344 7.366 2.729 1.00 0.00 C ATOM 1056 C ASP A 66 -5.779 5.961 2.696 1.00 0.00 C ATOM 1057 O ASP A 66 -5.800 5.252 3.706 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.707 8.171 3.864 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.251 9.579 3.930 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -6.409 10.205 2.867 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -6.524 10.077 5.045 1.00 0.00 O ATOM 0 H ASP A 66 -8.080 7.029 3.836 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.116 7.868 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.889 7.667 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.627 8.205 3.723 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.308 5.547 1.531 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.748 4.215 1.373 1.00 0.00 C ATOM 1068 C ILE A 67 -3.352 4.179 1.964 1.00 0.00 C ATOM 1069 O ILE A 67 -2.418 4.780 1.425 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.705 3.776 -0.109 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.112 3.820 -0.720 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.115 2.378 -0.239 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.126 2.963 0.014 1.00 0.00 C ATOM 0 H ILE A 67 -5.302 6.113 0.682 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.395 3.515 1.902 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.066 4.471 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.462 4.852 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.057 3.493 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.094 2.088 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.100 2.373 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.728 1.671 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.096 3.046 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.801 1.923 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.211 3.304 1.046 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.224 3.501 3.088 1.00 0.00 N ATOM 1086 CA ILE A 68 -1.966 3.452 3.801 1.00 0.00 C ATOM 1087 C ILE A 68 -1.397 2.046 3.816 1.00 0.00 C ATOM 1088 O ILE A 68 -2.120 1.070 4.019 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.114 3.959 5.252 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.198 3.174 5.994 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.434 5.445 5.259 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.378 3.610 7.430 1.00 0.00 C ATOM 0 H ILE A 68 -3.980 2.975 3.527 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.279 4.110 3.269 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.168 3.802 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.145 3.288 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.947 2.113 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.536 5.790 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.628 5.993 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.368 5.619 4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.161 3.012 7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.443 3.470 7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.659 4.663 7.458 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.103 1.946 3.580 1.00 0.00 N ATOM 1105 CA CYS A 69 0.583 0.674 3.666 1.00 0.00 C ATOM 1106 C CYS A 69 1.132 0.507 5.076 1.00 0.00 C ATOM 1107 O CYS A 69 1.683 1.449 5.651 1.00 0.00 O ATOM 1108 CB CYS A 69 1.714 0.610 2.646 1.00 0.00 C ATOM 1109 SG CYS A 69 1.408 1.572 1.148 1.00 0.00 S ATOM 0 H CYS A 69 0.494 2.733 3.327 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.115 -0.133 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.632 0.967 3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.881 -0.431 2.369 1.00 0.00 H new ATOM 0 HG CYS A 69 2.423 1.458 0.344 1.00 0.00 H new ATOM 1115 N THR A 70 0.974 -0.673 5.645 1.00 0.00 N ATOM 1116 CA THR A 70 1.362 -0.884 7.028 1.00 0.00 C ATOM 1117 C THR A 70 2.608 -1.761 7.136 1.00 0.00 C ATOM 1118 O THR A 70 3.009 -2.163 8.228 1.00 0.00 O ATOM 1119 CB THR A 70 0.200 -1.509 7.836 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.570 -1.679 9.210 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.211 -2.853 7.250 1.00 0.00 C ATOM 0 H THR A 70 0.584 -1.492 5.178 1.00 0.00 H new ATOM 0 HA THR A 70 1.600 0.093 7.450 1.00 0.00 H new ATOM 0 HB THR A 70 -0.647 -0.825 7.777 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.402 -2.194 9.263 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.029 -3.271 7.836 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.537 -2.716 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.638 -3.536 7.275 1.00 0.00 H new ATOM 1129 N LYS A 71 3.235 -2.042 6.009 1.00 0.00 N ATOM 1130 CA LYS A 71 4.456 -2.821 6.023 1.00 0.00 C ATOM 1131 C LYS A 71 5.655 -1.901 5.850 1.00 0.00 C ATOM 1132 O LYS A 71 5.555 -0.861 5.201 1.00 0.00 O ATOM 1133 CB LYS A 71 4.436 -3.899 4.941 1.00 0.00 C ATOM 1134 CG LYS A 71 5.586 -4.880 5.064 1.00 0.00 C ATOM 1135 CD LYS A 71 5.362 -6.135 4.244 1.00 0.00 C ATOM 1136 CE LYS A 71 6.409 -7.184 4.572 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.459 -7.472 6.031 1.00 0.00 N ATOM 0 H LYS A 71 2.923 -1.746 5.084 1.00 0.00 H new ATOM 0 HA LYS A 71 4.535 -3.327 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.493 -4.443 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.474 -3.424 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.508 -4.397 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.718 -5.152 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.367 -6.533 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.402 -5.893 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.188 -8.102 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.387 -6.840 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.835 -8.430 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.076 -6.779 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.501 -7.409 6.430 1.00 0.00 H new ATOM 1151 N ASN A 72 6.776 -2.273 6.454 1.00 0.00 N ATOM 1152 CA ASN A 72 7.986 -1.460 6.391 1.00 0.00 C ATOM 1153 C ASN A 72 8.926 -2.031 5.339 1.00 0.00 C ATOM 1154 O ASN A 72 9.280 -3.213 5.387 1.00 0.00 O ATOM 1155 CB ASN A 72 8.697 -1.399 7.755 1.00 0.00 C ATOM 1156 CG ASN A 72 7.863 -0.762 8.867 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.573 -1.059 8.911 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.384 -0.028 9.705 1.00 0.00 N flip ATOM 0 H ASN A 72 6.874 -3.133 6.994 1.00 0.00 H new ATOM 0 HA ASN A 72 7.701 -0.443 6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.971 -2.410 8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.624 -0.837 7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.380 0.185 9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.820 0.368 10.457 1.00 0.00 H new ATOM 1165 N LEU A 73 9.312 -1.205 4.380 1.00 0.00 N ATOM 1166 CA LEU A 73 10.122 -1.663 3.261 1.00 0.00 C ATOM 1167 C LEU A 73 11.554 -1.148 3.359 1.00 0.00 C ATOM 1168 O LEU A 73 11.785 0.060 3.372 1.00 0.00 O ATOM 1169 CB LEU A 73 9.515 -1.204 1.931 1.00 0.00 C ATOM 1170 CG LEU A 73 8.115 -1.740 1.593 1.00 0.00 C ATOM 1171 CD1 LEU A 73 8.016 -3.224 1.884 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.035 -0.967 2.331 1.00 0.00 C ATOM 0 H LEU A 73 9.078 -0.213 4.353 1.00 0.00 H new ATOM 0 HA LEU A 73 10.138 -2.752 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.471 -0.115 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.194 -1.494 1.129 1.00 0.00 H new ATOM 0 HG LEU A 73 7.954 -1.595 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.015 -3.577 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.750 -3.762 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.212 -3.401 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.056 -1.370 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.191 -1.060 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.081 0.084 2.047 1.00 0.00 H new ATOM 1184 N PRO A 74 12.532 -2.063 3.421 1.00 0.00 N ATOM 1185 CA PRO A 74 13.952 -1.711 3.420 1.00 0.00 C ATOM 1186 C PRO A 74 14.438 -1.302 2.030 1.00 0.00 C ATOM 1187 O PRO A 74 14.007 -1.864 1.016 1.00 0.00 O ATOM 1188 CB PRO A 74 14.655 -3.002 3.869 1.00 0.00 C ATOM 1189 CG PRO A 74 13.566 -3.945 4.271 1.00 0.00 C ATOM 1190 CD PRO A 74 12.340 -3.509 3.526 1.00 0.00 C ATOM 0 HA PRO A 74 14.157 -0.858 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.255 -3.421 3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 74 15.331 -2.809 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.829 -4.973 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.400 -3.912 5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 74 12.271 -3.982 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.427 -3.759 4.066 1.00 0.00 H new ATOM 1198 N LYS A 75 15.336 -0.326 1.987 1.00 0.00 N ATOM 1199 CA LYS A 75 15.878 0.162 0.726 1.00 0.00 C ATOM 1200 C LYS A 75 17.195 -0.542 0.405 1.00 0.00 C ATOM 1201 O LYS A 75 17.783 -1.201 1.265 1.00 0.00 O ATOM 1202 CB LYS A 75 16.104 1.681 0.796 1.00 0.00 C ATOM 1203 CG LYS A 75 16.369 2.331 -0.557 1.00 0.00 C ATOM 1204 CD LYS A 75 16.751 3.796 -0.421 1.00 0.00 C ATOM 1205 CE LYS A 75 16.874 4.465 -1.784 1.00 0.00 C ATOM 1206 NZ LYS A 75 17.834 3.760 -2.677 1.00 0.00 N ATOM 0 H LYS A 75 15.705 0.144 2.814 1.00 0.00 H new ATOM 0 HA LYS A 75 15.160 -0.055 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.228 2.148 1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.948 1.882 1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 75 17.169 1.794 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.479 2.245 -1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.001 4.316 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.697 3.879 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.894 4.496 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.197 5.498 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.934 4.290 -3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 18.760 3.693 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.480 2.804 -2.882 1.00 0.00 H new ATOM 1220 N ASP A 76 17.639 -0.407 -0.837 1.00 0.00 N ATOM 1221 CA ASP A 76 18.934 -0.923 -1.262 1.00 0.00 C ATOM 1222 C ASP A 76 20.066 -0.081 -0.678 1.00 0.00 C ATOM 1223 O ASP A 76 19.830 0.967 -0.070 1.00 0.00 O ATOM 1224 CB ASP A 76 19.034 -0.892 -2.789 1.00 0.00 C ATOM 1225 CG ASP A 76 19.088 0.526 -3.329 1.00 0.00 C ATOM 1226 OD1 ASP A 76 18.023 1.175 -3.413 1.00 0.00 O ATOM 1227 OD2 ASP A 76 20.193 1.005 -3.658 1.00 0.00 O ATOM 0 H ASP A 76 17.115 0.061 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 76 19.025 -1.948 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.926 -1.434 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.177 -1.411 -3.219 1.00 0.00 H new ATOM 1232 N SER A 77 21.290 -0.537 -0.873 1.00 0.00 N ATOM 1233 CA SER A 77 22.459 0.213 -0.458 1.00 0.00 C ATOM 1234 C SER A 77 23.215 0.721 -1.681 1.00 0.00 C ATOM 1235 O SER A 77 23.579 -0.057 -2.563 1.00 0.00 O ATOM 1236 CB SER A 77 23.368 -0.663 0.410 1.00 0.00 C ATOM 1237 OG SER A 77 24.510 0.055 0.849 1.00 0.00 O ATOM 0 H SER A 77 21.500 -1.430 -1.320 1.00 0.00 H new ATOM 0 HA SER A 77 22.138 1.070 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 77 22.810 -1.026 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 77 23.683 -1.539 -0.158 1.00 0.00 H new ATOM 0 HG SER A 77 25.071 -0.528 1.402 1.00 0.00 H new ATOM 1243 N LEU A 78 23.457 2.026 -1.728 1.00 0.00 N ATOM 1244 CA LEU A 78 24.161 2.639 -2.849 1.00 0.00 C ATOM 1245 C LEU A 78 25.607 2.160 -2.923 1.00 0.00 C ATOM 1246 O LEU A 78 26.283 2.350 -3.934 1.00 0.00 O ATOM 1247 CB LEU A 78 24.128 4.166 -2.731 1.00 0.00 C ATOM 1248 CG LEU A 78 22.742 4.801 -2.838 1.00 0.00 C ATOM 1249 CD1 LEU A 78 22.819 6.297 -2.582 1.00 0.00 C ATOM 1250 CD2 LEU A 78 22.136 4.526 -4.208 1.00 0.00 C ATOM 0 H LEU A 78 23.175 2.682 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 78 23.651 2.338 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 78 24.566 4.449 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 78 24.764 4.588 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 78 22.099 4.355 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 78 21.823 6.732 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 78 23.213 6.475 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 78 23.477 6.759 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.149 4.985 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 78 22.779 4.946 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 78 22.045 3.450 -4.356 1.00 0.00 H new ATOM 1262 N GLU A 79 26.070 1.515 -1.860 1.00 0.00 N ATOM 1263 CA GLU A 79 27.448 1.061 -1.785 1.00 0.00 C ATOM 1264 C GLU A 79 27.593 -0.341 -2.385 1.00 0.00 C ATOM 1265 O GLU A 79 28.629 -0.989 -2.229 1.00 0.00 O ATOM 1266 CB GLU A 79 27.931 1.087 -0.332 1.00 0.00 C ATOM 1267 CG GLU A 79 29.443 1.005 -0.186 1.00 0.00 C ATOM 1268 CD GLU A 79 29.898 1.164 1.248 1.00 0.00 C ATOM 1269 OE1 GLU A 79 29.927 0.156 1.985 1.00 0.00 O ATOM 1270 OE2 GLU A 79 30.236 2.299 1.646 1.00 0.00 O ATOM 0 H GLU A 79 25.508 1.295 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 79 28.071 1.738 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 79 27.579 2.003 0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 79 27.478 0.255 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 79 29.790 0.045 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 79 29.906 1.779 -0.798 1.00 0.00 H new ATOM 1277 N HIS A 80 26.554 -0.809 -3.083 1.00 0.00 N ATOM 1278 CA HIS A 80 26.643 -2.078 -3.810 1.00 0.00 C ATOM 1279 C HIS A 80 27.784 -2.021 -4.816 1.00 0.00 C ATOM 1280 O HIS A 80 28.464 -3.019 -5.062 1.00 0.00 O ATOM 1281 CB HIS A 80 25.339 -2.418 -4.537 1.00 0.00 C ATOM 1282 CG HIS A 80 24.262 -2.971 -3.656 1.00 0.00 C ATOM 1283 ND1 HIS A 80 24.496 -3.890 -2.656 1.00 0.00 N ATOM 1284 CD2 HIS A 80 22.931 -2.734 -3.638 1.00 0.00 C ATOM 1285 CE1 HIS A 80 23.357 -4.193 -2.065 1.00 0.00 C ATOM 1286 NE2 HIS A 80 22.390 -3.505 -2.639 1.00 0.00 N ATOM 0 H HIS A 80 25.654 -0.336 -3.160 1.00 0.00 H new ATOM 0 HA HIS A 80 26.830 -2.861 -3.075 1.00 0.00 H new ATOM 0 HB2 HIS A 80 24.965 -1.518 -5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 80 25.554 -3.141 -5.323 1.00 0.00 H new ATOM 0 HD2 HIS A 80 22.392 -2.062 -4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 80 23.236 -4.888 -1.248 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.403 -3.540 -2.383 1.00 0.00 H new ATOM 1295 N HIS A 81 27.979 -0.846 -5.403 1.00 0.00 N ATOM 1296 CA HIS A 81 29.128 -0.613 -6.258 1.00 0.00 C ATOM 1297 C HIS A 81 30.122 0.287 -5.528 1.00 0.00 C ATOM 1298 O HIS A 81 29.875 1.475 -5.314 1.00 0.00 O ATOM 1299 CB HIS A 81 28.714 -0.019 -7.624 1.00 0.00 C ATOM 1300 CG HIS A 81 28.257 1.414 -7.605 1.00 0.00 C ATOM 1301 ND1 HIS A 81 29.022 2.446 -8.101 1.00 0.00 N ATOM 1302 CD2 HIS A 81 27.110 1.985 -7.165 1.00 0.00 C ATOM 1303 CE1 HIS A 81 28.372 3.582 -7.966 1.00 0.00 C ATOM 1304 NE2 HIS A 81 27.206 3.335 -7.402 1.00 0.00 N ATOM 0 H HIS A 81 27.356 -0.045 -5.301 1.00 0.00 H new ATOM 0 HA HIS A 81 29.608 -1.568 -6.474 1.00 0.00 H new ATOM 0 HB2 HIS A 81 29.560 -0.101 -8.306 1.00 0.00 H new ATOM 0 HB3 HIS A 81 27.912 -0.631 -8.036 1.00 0.00 H new ATOM 0 HD2 HIS A 81 26.274 1.473 -6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 81 28.733 4.554 -8.267 1.00 0.00 H new ATOM 0 HE2 HIS A 81 26.494 4.030 -7.179 1.00 0.00 H new ATOM 1313 N HIS A 82 31.226 -0.292 -5.103 1.00 0.00 N ATOM 1314 CA HIS A 82 32.228 0.455 -4.369 1.00 0.00 C ATOM 1315 C HIS A 82 33.401 0.761 -5.284 1.00 0.00 C ATOM 1316 O HIS A 82 34.207 -0.113 -5.598 1.00 0.00 O ATOM 1317 CB HIS A 82 32.686 -0.327 -3.134 1.00 0.00 C ATOM 1318 CG HIS A 82 33.395 0.511 -2.114 1.00 0.00 C ATOM 1319 ND1 HIS A 82 33.835 0.013 -0.909 1.00 0.00 N ATOM 1320 CD2 HIS A 82 33.722 1.824 -2.115 1.00 0.00 C ATOM 1321 CE1 HIS A 82 34.400 0.980 -0.214 1.00 0.00 C ATOM 1322 NE2 HIS A 82 34.345 2.091 -0.923 1.00 0.00 N ATOM 0 H HIS A 82 31.452 -1.275 -5.252 1.00 0.00 H new ATOM 0 HA HIS A 82 31.795 1.394 -4.024 1.00 0.00 H new ATOM 0 HB2 HIS A 82 31.817 -0.792 -2.668 1.00 0.00 H new ATOM 0 HB3 HIS A 82 33.348 -1.133 -3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 82 33.528 2.531 -2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 82 34.835 0.880 0.770 1.00 0.00 H new ATOM 0 HE2 HIS A 82 34.706 2.999 -0.632 1.00 0.00 H new ATOM 1331 N HIS A 83 33.475 2.004 -5.720 1.00 0.00 N ATOM 1332 CA HIS A 83 34.502 2.432 -6.653 1.00 0.00 C ATOM 1333 C HIS A 83 35.817 2.648 -5.915 1.00 0.00 C ATOM 1334 O HIS A 83 36.000 3.663 -5.243 1.00 0.00 O ATOM 1335 CB HIS A 83 34.064 3.724 -7.359 1.00 0.00 C ATOM 1336 CG HIS A 83 34.908 4.109 -8.540 1.00 0.00 C ATOM 1337 ND1 HIS A 83 36.213 3.873 -8.819 1.00 0.00 N flip ATOM 1338 CD2 HIS A 83 34.420 4.837 -9.603 1.00 0.00 C flip ATOM 1339 CE1 HIS A 83 36.480 4.453 -10.031 1.00 0.00 C flip ATOM 1340 NE2 HIS A 83 35.384 5.028 -10.482 1.00 0.00 N flip ATOM 0 H HIS A 83 32.829 2.742 -5.440 1.00 0.00 H new ATOM 0 HA HIS A 83 34.648 1.657 -7.405 1.00 0.00 H new ATOM 0 HB2 HIS A 83 33.031 3.610 -7.689 1.00 0.00 H new ATOM 0 HB3 HIS A 83 34.079 4.540 -6.637 1.00 0.00 H new ATOM 0 HD1 HIS A 83 36.873 3.359 -8.235 1.00 0.00 H new ATOM 0 HD2 HIS A 83 33.406 5.195 -9.701 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.435 4.441 -10.535 1.00 0.00 H new ATOM 1349 N HIS A 84 36.719 1.681 -6.020 1.00 0.00 N ATOM 1350 CA HIS A 84 38.029 1.814 -5.395 1.00 0.00 C ATOM 1351 C HIS A 84 38.866 2.839 -6.157 1.00 0.00 C ATOM 1352 O HIS A 84 38.940 2.798 -7.388 1.00 0.00 O ATOM 1353 CB HIS A 84 38.767 0.460 -5.322 1.00 0.00 C ATOM 1354 CG HIS A 84 39.347 -0.019 -6.626 1.00 0.00 C ATOM 1355 ND1 HIS A 84 40.660 0.203 -6.988 1.00 0.00 N ATOM 1356 CD2 HIS A 84 38.791 -0.711 -7.648 1.00 0.00 C ATOM 1357 CE1 HIS A 84 40.884 -0.331 -8.174 1.00 0.00 C ATOM 1358 NE2 HIS A 84 39.767 -0.891 -8.596 1.00 0.00 N ATOM 0 H HIS A 84 36.571 0.807 -6.525 1.00 0.00 H new ATOM 0 HA HIS A 84 37.881 2.159 -4.372 1.00 0.00 H new ATOM 0 HB2 HIS A 84 39.572 0.541 -4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 84 38.074 -0.295 -4.951 1.00 0.00 H new ATOM 0 HD2 HIS A 84 37.770 -1.057 -7.706 1.00 0.00 H new ATOM 0 HE1 HIS A 84 41.822 -0.313 -8.708 1.00 0.00 H new ATOM 0 HE2 HIS A 84 39.648 -1.379 -9.484 1.00 0.00 H new ATOM 1367 N HIS A 85 39.463 3.766 -5.430 1.00 0.00 N ATOM 1368 CA HIS A 85 40.322 4.777 -6.028 1.00 0.00 C ATOM 1369 C HIS A 85 41.182 5.423 -4.947 1.00 0.00 C ATOM 1370 O HIS A 85 42.253 4.865 -4.636 1.00 0.00 O ATOM 1371 CB HIS A 85 39.489 5.839 -6.765 1.00 0.00 C ATOM 1372 CG HIS A 85 40.312 6.822 -7.545 1.00 0.00 C ATOM 1373 ND1 HIS A 85 40.469 8.135 -7.168 1.00 0.00 N ATOM 1374 CD2 HIS A 85 41.015 6.678 -8.693 1.00 0.00 C ATOM 1375 CE1 HIS A 85 41.230 8.757 -8.047 1.00 0.00 C ATOM 1376 NE2 HIS A 85 41.580 7.897 -8.984 1.00 0.00 N ATOM 1377 OXT HIS A 85 40.779 6.475 -4.408 1.00 0.00 O ATOM 0 H HIS A 85 39.369 3.841 -4.417 1.00 0.00 H new ATOM 0 HA HIS A 85 40.971 4.297 -6.760 1.00 0.00 H new ATOM 0 HB2 HIS A 85 38.798 5.339 -7.444 1.00 0.00 H new ATOM 0 HB3 HIS A 85 38.885 6.382 -6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 85 41.114 5.772 -9.273 1.00 0.00 H new ATOM 0 HE1 HIS A 85 41.519 9.797 -8.007 1.00 0.00 H new ATOM 0 HE2 HIS A 85 42.171 8.102 -9.790 1.00 0.00 H new TER 1386 HIS A 85