USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 579 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 60 GLN : amide:sc= -0.281 K(o=-1.4,f=-4.9) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.14 K(o=-1.4,f=-3.4) USER MOD Set 2.1: A 24 SER OG : rot 83:sc= 0.797 USER MOD Set 2.2: A 68 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 176:sc= -0.0594 (180deg=-0.0932) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -166:sc= -0.0244 (180deg=-0.293) USER MOD Single : A 5 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.82) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 0:sc= 0.89 USER MOD Single : A 16 MET CE :methyl -165:sc= -0.0516 (180deg=-0.35) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -156:sc= 0.171 USER MOD Single : A 19 GLN : amide:sc= -0.015 K(o=-0.015,f=-1) USER MOD Single : A 20 SER OG : rot 107:sc= 1.4 USER MOD Single : A 21 CYS SG : rot -0:sc= -2.69! USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0.164 (180deg=0.132) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.966 USER MOD Single : A 38 MET CE :methyl -164:sc=-0.00961 (180deg=-0.335) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.23) USER MOD Single : A 46 SER OG : rot 180:sc= -0.228 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.87 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -3.45! USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0225 X(o=-0.023,f=-0.0007) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0631 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.557 -21.251 0.922 1.00 0.00 N ATOM 2 CA ALA A 1 -1.725 -20.351 0.888 1.00 0.00 C ATOM 3 C ALA A 1 -1.293 -18.883 0.941 1.00 0.00 C ATOM 4 O ALA A 1 -2.125 -17.986 1.105 1.00 0.00 O ATOM 5 CB ALA A 1 -2.673 -20.672 2.037 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.881 -22.239 0.953 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.020 -21.103 0.070 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.014 -21.047 1.767 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.249 -20.511 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.531 -20.000 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.016 -21.703 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.152 -20.543 2.986 1.00 0.00 H new ATOM 13 N GLY A 2 0.002 -18.633 0.786 1.00 0.00 N ATOM 14 CA GLY A 2 0.497 -17.274 0.841 1.00 0.00 C ATOM 15 C GLY A 2 1.513 -17.000 -0.240 1.00 0.00 C ATOM 16 O GLY A 2 2.264 -17.891 -0.629 1.00 0.00 O ATOM 0 H GLY A 2 0.714 -19.345 0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.337 -16.580 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.947 -17.091 1.817 1.00 0.00 H new ATOM 20 N HIS A 3 1.546 -15.776 -0.726 1.00 0.00 N ATOM 21 CA HIS A 3 2.480 -15.407 -1.778 1.00 0.00 C ATOM 22 C HIS A 3 3.796 -14.945 -1.201 1.00 0.00 C ATOM 23 O HIS A 3 3.834 -14.109 -0.298 1.00 0.00 O ATOM 24 CB HIS A 3 1.897 -14.327 -2.690 1.00 0.00 C ATOM 25 CG HIS A 3 0.744 -14.795 -3.519 1.00 0.00 C ATOM 26 ND1 HIS A 3 -0.568 -14.708 -3.108 1.00 0.00 N ATOM 27 CD2 HIS A 3 0.714 -15.371 -4.742 1.00 0.00 C ATOM 28 CE1 HIS A 3 -1.353 -15.212 -4.045 1.00 0.00 C ATOM 29 NE2 HIS A 3 -0.599 -15.619 -5.044 1.00 0.00 N ATOM 0 H HIS A 3 0.939 -15.019 -0.412 1.00 0.00 H new ATOM 0 HA HIS A 3 2.658 -16.300 -2.377 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.575 -13.484 -2.079 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.682 -13.960 -3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.567 -15.594 -5.365 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.430 -15.278 -3.998 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.938 -16.050 -5.904 1.00 0.00 H new ATOM 37 N MET A 4 4.873 -15.509 -1.715 1.00 0.00 N ATOM 38 CA MET A 4 6.213 -15.161 -1.282 1.00 0.00 C ATOM 39 C MET A 4 6.550 -13.735 -1.688 1.00 0.00 C ATOM 40 O MET A 4 7.182 -12.990 -0.935 1.00 0.00 O ATOM 41 CB MET A 4 7.234 -16.130 -1.879 1.00 0.00 C ATOM 42 CG MET A 4 7.093 -17.559 -1.381 1.00 0.00 C ATOM 43 SD MET A 4 7.246 -17.697 0.410 1.00 0.00 S ATOM 44 CE MET A 4 8.959 -17.222 0.644 1.00 0.00 C ATOM 0 H MET A 4 4.843 -16.221 -2.444 1.00 0.00 H new ATOM 0 HA MET A 4 6.252 -15.234 -0.195 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.135 -16.123 -2.964 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.237 -15.773 -1.648 1.00 0.00 H new ATOM 0 HG2 MET A 4 6.124 -17.952 -1.689 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.854 -18.180 -1.854 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.277 -17.492 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.583 -17.739 -0.085 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.060 -16.145 0.508 1.00 0.00 H new ATOM 54 N GLN A 5 6.122 -13.357 -2.878 1.00 0.00 N ATOM 55 CA GLN A 5 6.390 -12.030 -3.390 1.00 0.00 C ATOM 56 C GLN A 5 5.208 -11.103 -3.205 1.00 0.00 C ATOM 57 O GLN A 5 4.193 -11.205 -3.904 1.00 0.00 O ATOM 58 CB GLN A 5 6.804 -12.081 -4.857 1.00 0.00 C ATOM 59 CG GLN A 5 8.131 -12.775 -5.095 1.00 0.00 C ATOM 60 CD GLN A 5 9.284 -12.043 -4.435 1.00 0.00 C ATOM 61 OE1 GLN A 5 9.270 -10.817 -4.312 1.00 0.00 O ATOM 62 NE2 GLN A 5 10.280 -12.782 -4.000 1.00 0.00 N ATOM 0 H GLN A 5 5.586 -13.953 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 5 7.220 -11.627 -2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.029 -12.595 -5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.862 -11.064 -5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.081 -13.794 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.314 -12.848 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.254 -13.795 -4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.079 -12.343 -3.542 1.00 0.00 H new ATOM 71 N VAL A 6 5.350 -10.216 -2.250 1.00 0.00 N ATOM 72 CA VAL A 6 4.369 -9.198 -1.961 1.00 0.00 C ATOM 73 C VAL A 6 5.092 -7.874 -1.824 1.00 0.00 C ATOM 74 O VAL A 6 6.265 -7.848 -1.446 1.00 0.00 O ATOM 75 CB VAL A 6 3.571 -9.500 -0.660 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.773 -10.787 -0.804 1.00 0.00 C ATOM 77 CG2 VAL A 6 4.501 -9.584 0.547 1.00 0.00 C ATOM 0 H VAL A 6 6.167 -10.181 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 6 3.646 -9.169 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 6 2.875 -8.677 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.223 -10.979 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.071 -10.689 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.452 -11.616 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.917 -9.796 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.228 -10.381 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.023 -8.635 0.671 1.00 0.00 H new ATOM 87 N ALA A 7 4.432 -6.791 -2.141 1.00 0.00 N ATOM 88 CA ALA A 7 5.071 -5.501 -2.068 1.00 0.00 C ATOM 89 C ALA A 7 4.413 -4.611 -1.040 1.00 0.00 C ATOM 90 O ALA A 7 3.182 -4.526 -0.966 1.00 0.00 O ATOM 91 CB ALA A 7 5.068 -4.827 -3.431 1.00 0.00 C ATOM 0 H ALA A 7 3.460 -6.774 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 7 6.103 -5.662 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.554 -3.854 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.607 -5.449 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.040 -4.694 -3.769 1.00 0.00 H new ATOM 97 N THR A 8 5.231 -3.969 -0.239 1.00 0.00 N ATOM 98 CA THR A 8 4.758 -3.013 0.721 1.00 0.00 C ATOM 99 C THR A 8 5.344 -1.668 0.378 1.00 0.00 C ATOM 100 O THR A 8 6.458 -1.593 -0.147 1.00 0.00 O ATOM 101 CB THR A 8 5.184 -3.385 2.161 1.00 0.00 C ATOM 102 OG1 THR A 8 6.618 -3.443 2.248 1.00 0.00 O ATOM 103 CG2 THR A 8 4.606 -4.725 2.572 1.00 0.00 C ATOM 0 H THR A 8 6.243 -4.098 -0.239 1.00 0.00 H new ATOM 0 HA THR A 8 3.669 -2.998 0.684 1.00 0.00 H new ATOM 0 HB THR A 8 4.801 -2.617 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.881 -3.677 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.922 -4.961 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.518 -4.680 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.963 -5.499 1.892 1.00 0.00 H new ATOM 111 N SER A 9 4.617 -0.619 0.635 1.00 0.00 N ATOM 112 CA SER A 9 5.122 0.701 0.368 1.00 0.00 C ATOM 113 C SER A 9 4.388 1.738 1.178 1.00 0.00 C ATOM 114 O SER A 9 3.263 1.505 1.633 1.00 0.00 O ATOM 115 CB SER A 9 5.024 1.017 -1.132 1.00 0.00 C ATOM 116 OG SER A 9 3.677 0.992 -1.575 1.00 0.00 O ATOM 0 H SER A 9 3.676 -0.649 1.028 1.00 0.00 H new ATOM 0 HA SER A 9 6.171 0.729 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.456 1.998 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.609 0.292 -1.698 1.00 0.00 H new ATOM 0 HG SER A 9 3.644 1.198 -2.532 1.00 0.00 H new ATOM 122 N THR A 10 5.024 2.867 1.359 1.00 0.00 N ATOM 123 CA THR A 10 4.423 3.987 2.020 1.00 0.00 C ATOM 124 C THR A 10 4.295 5.116 1.022 1.00 0.00 C ATOM 125 O THR A 10 5.285 5.645 0.541 1.00 0.00 O ATOM 126 CB THR A 10 5.254 4.450 3.240 1.00 0.00 C ATOM 127 OG1 THR A 10 6.624 4.652 2.864 1.00 0.00 O ATOM 128 CG2 THR A 10 5.184 3.426 4.355 1.00 0.00 C ATOM 0 H THR A 10 5.981 3.032 1.048 1.00 0.00 H new ATOM 0 HA THR A 10 3.443 3.690 2.394 1.00 0.00 H new ATOM 0 HB THR A 10 4.835 5.391 3.595 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.733 4.457 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.775 3.771 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.147 3.295 4.664 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.580 2.474 4.000 1.00 0.00 H new ATOM 136 N VAL A 11 3.094 5.472 0.703 1.00 0.00 N ATOM 137 CA VAL A 11 2.863 6.478 -0.299 1.00 0.00 C ATOM 138 C VAL A 11 2.386 7.758 0.347 1.00 0.00 C ATOM 139 O VAL A 11 1.389 7.761 1.072 1.00 0.00 O ATOM 140 CB VAL A 11 1.830 5.987 -1.322 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.551 7.034 -2.390 1.00 0.00 C ATOM 142 CG2 VAL A 11 2.274 4.673 -1.947 1.00 0.00 C ATOM 0 H VAL A 11 2.249 5.083 1.120 1.00 0.00 H new ATOM 0 HA VAL A 11 3.802 6.673 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 11 0.895 5.814 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.815 6.648 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.164 7.938 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.474 7.267 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.527 4.343 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.229 4.815 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.384 3.918 -1.168 1.00 0.00 H new ATOM 152 N ARG A 12 3.104 8.837 0.095 1.00 0.00 N ATOM 153 CA ARG A 12 2.783 10.118 0.687 1.00 0.00 C ATOM 154 C ARG A 12 1.861 10.898 -0.212 1.00 0.00 C ATOM 155 O ARG A 12 1.992 10.857 -1.430 1.00 0.00 O ATOM 156 CB ARG A 12 4.048 10.910 0.980 1.00 0.00 C ATOM 157 CG ARG A 12 4.869 11.243 -0.240 1.00 0.00 C ATOM 158 CD ARG A 12 6.088 12.066 0.129 1.00 0.00 C ATOM 159 NE ARG A 12 5.722 13.383 0.653 1.00 0.00 N ATOM 160 CZ ARG A 12 6.575 14.222 1.247 1.00 0.00 C ATOM 161 NH1 ARG A 12 7.839 13.857 1.448 1.00 0.00 N ATOM 162 NH2 ARG A 12 6.158 15.416 1.656 1.00 0.00 N ATOM 0 H ARG A 12 3.918 8.849 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 12 2.270 9.939 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.774 11.837 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.666 10.341 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.183 10.323 -0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.257 11.794 -0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.676 11.530 0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.722 12.189 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 12 4.751 13.680 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.158 12.936 1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.489 14.499 1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.186 15.692 1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.810 16.056 2.110 1.00 0.00 H new ATOM 176 N ILE A 13 0.950 11.611 0.386 1.00 0.00 N ATOM 177 CA ILE A 13 -0.049 12.345 -0.353 1.00 0.00 C ATOM 178 C ILE A 13 0.028 13.839 -0.058 1.00 0.00 C ATOM 179 O ILE A 13 0.085 14.253 1.105 1.00 0.00 O ATOM 180 CB ILE A 13 -1.468 11.840 -0.010 1.00 0.00 C ATOM 181 CG1 ILE A 13 -1.601 10.347 -0.336 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.508 12.645 -0.772 1.00 0.00 C ATOM 183 CD1 ILE A 13 -2.891 9.724 0.160 1.00 0.00 C ATOM 0 H ILE A 13 0.875 11.703 1.399 1.00 0.00 H new ATOM 0 HA ILE A 13 0.152 12.180 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.637 11.973 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.536 10.213 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.758 9.813 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.505 12.281 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.427 13.697 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.339 12.536 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.912 8.668 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.950 9.824 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.740 10.231 -0.298 1.00 0.00 H new ATOM 195 N LEU A 14 0.051 14.635 -1.106 1.00 0.00 N ATOM 196 CA LEU A 14 0.040 16.074 -0.973 1.00 0.00 C ATOM 197 C LEU A 14 -1.288 16.593 -1.511 1.00 0.00 C ATOM 198 O LEU A 14 -1.626 16.367 -2.678 1.00 0.00 O ATOM 199 CB LEU A 14 1.229 16.694 -1.735 1.00 0.00 C ATOM 200 CG LEU A 14 1.528 18.183 -1.469 1.00 0.00 C ATOM 201 CD1 LEU A 14 2.947 18.515 -1.896 1.00 0.00 C ATOM 202 CD2 LEU A 14 0.545 19.085 -2.203 1.00 0.00 C ATOM 0 H LEU A 14 0.078 14.303 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 14 0.144 16.356 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.123 16.120 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.050 16.570 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 14 1.419 18.360 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.148 19.569 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.650 17.903 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.064 18.312 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.783 20.128 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.616 18.904 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.469 18.870 -1.865 1.00 0.00 H new ATOM 214 N GLY A 15 -2.044 17.265 -0.666 1.00 0.00 N ATOM 215 CA GLY A 15 -3.330 17.761 -1.078 1.00 0.00 C ATOM 216 C GLY A 15 -3.889 18.768 -0.111 1.00 0.00 C ATOM 217 O GLY A 15 -3.261 19.072 0.902 1.00 0.00 O ATOM 0 H GLY A 15 -1.789 17.476 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.242 18.217 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.025 16.927 -1.173 1.00 0.00 H new ATOM 221 N MET A 16 -5.072 19.285 -0.423 1.00 0.00 N ATOM 222 CA MET A 16 -5.724 20.288 0.413 1.00 0.00 C ATOM 223 C MET A 16 -6.052 19.730 1.793 1.00 0.00 C ATOM 224 O MET A 16 -5.871 20.408 2.806 1.00 0.00 O ATOM 225 CB MET A 16 -7.001 20.798 -0.259 1.00 0.00 C ATOM 226 CG MET A 16 -6.757 21.603 -1.528 1.00 0.00 C ATOM 227 SD MET A 16 -5.659 23.012 -1.265 1.00 0.00 S ATOM 228 CE MET A 16 -6.603 23.961 -0.073 1.00 0.00 C ATOM 0 H MET A 16 -5.603 19.024 -1.254 1.00 0.00 H new ATOM 0 HA MET A 16 -5.029 21.118 0.536 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.638 19.946 -0.499 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.550 21.417 0.451 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.328 20.951 -2.289 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.711 21.960 -1.915 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.199 24.971 -0.010 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.646 24.006 -0.388 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.540 23.483 0.905 1.00 0.00 H new ATOM 238 N THR A 17 -6.526 18.498 1.831 1.00 0.00 N ATOM 239 CA THR A 17 -6.845 17.847 3.080 1.00 0.00 C ATOM 240 C THR A 17 -6.703 16.337 2.950 1.00 0.00 C ATOM 241 O THR A 17 -6.892 15.769 1.864 1.00 0.00 O ATOM 242 CB THR A 17 -8.269 18.211 3.583 1.00 0.00 C ATOM 243 OG1 THR A 17 -8.526 17.573 4.845 1.00 0.00 O ATOM 244 CG2 THR A 17 -9.329 17.793 2.580 1.00 0.00 C ATOM 0 H THR A 17 -6.698 17.928 1.003 1.00 0.00 H new ATOM 0 HA THR A 17 -6.133 18.210 3.821 1.00 0.00 H new ATOM 0 HB THR A 17 -8.314 19.293 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.425 17.810 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.315 18.061 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.154 18.303 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.280 16.715 2.427 1.00 0.00 H new ATOM 252 N CYS A 18 -6.367 15.701 4.054 1.00 0.00 N ATOM 253 CA CYS A 18 -6.163 14.267 4.102 1.00 0.00 C ATOM 254 C CYS A 18 -7.449 13.504 3.794 1.00 0.00 C ATOM 255 O CYS A 18 -7.427 12.502 3.086 1.00 0.00 O ATOM 256 CB CYS A 18 -5.641 13.861 5.478 1.00 0.00 C ATOM 257 SG CYS A 18 -3.962 14.427 5.832 1.00 0.00 S ATOM 0 H CYS A 18 -6.227 16.168 4.950 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.428 14.011 3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.313 14.256 6.240 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.670 12.774 5.559 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.428 13.662 6.738 1.00 0.00 H new ATOM 263 N GLN A 19 -8.564 14.013 4.292 1.00 0.00 N ATOM 264 CA GLN A 19 -9.846 13.310 4.210 1.00 0.00 C ATOM 265 C GLN A 19 -10.269 13.020 2.766 1.00 0.00 C ATOM 266 O GLN A 19 -10.635 11.892 2.439 1.00 0.00 O ATOM 267 CB GLN A 19 -10.920 14.161 4.881 1.00 0.00 C ATOM 268 CG GLN A 19 -10.771 14.273 6.387 1.00 0.00 C ATOM 269 CD GLN A 19 -11.719 15.291 6.986 1.00 0.00 C ATOM 270 OE1 GLN A 19 -12.078 16.282 6.339 1.00 0.00 O ATOM 271 NE2 GLN A 19 -12.129 15.062 8.215 1.00 0.00 N ATOM 0 H GLN A 19 -8.613 14.917 4.762 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.728 12.351 4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.898 15.162 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.898 13.737 4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.954 13.299 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.745 14.550 6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.808 14.232 8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.768 15.715 8.670 1.00 0.00 H new ATOM 280 N SER A 20 -10.185 14.017 1.909 1.00 0.00 N ATOM 281 CA SER A 20 -10.616 13.863 0.532 1.00 0.00 C ATOM 282 C SER A 20 -9.681 12.957 -0.274 1.00 0.00 C ATOM 283 O SER A 20 -10.136 12.116 -1.058 1.00 0.00 O ATOM 284 CB SER A 20 -10.741 15.233 -0.123 1.00 0.00 C ATOM 285 OG SER A 20 -9.507 15.925 -0.072 1.00 0.00 O ATOM 0 H SER A 20 -9.823 14.942 2.140 1.00 0.00 H new ATOM 0 HA SER A 20 -11.591 13.375 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.057 15.119 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.511 15.815 0.383 1.00 0.00 H new ATOM 0 HG SER A 20 -9.105 15.942 -0.965 1.00 0.00 H new ATOM 291 N CYS A 21 -8.383 13.108 -0.064 1.00 0.00 N ATOM 292 CA CYS A 21 -7.411 12.337 -0.812 1.00 0.00 C ATOM 293 C CYS A 21 -7.380 10.878 -0.372 1.00 0.00 C ATOM 294 O CYS A 21 -7.331 9.971 -1.209 1.00 0.00 O ATOM 295 CB CYS A 21 -6.023 12.970 -0.710 1.00 0.00 C ATOM 296 SG CYS A 21 -5.402 13.160 0.978 1.00 0.00 S ATOM 0 H CYS A 21 -7.983 13.755 0.615 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.719 12.350 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.318 12.361 -1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.050 13.950 -1.185 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.289 12.717 1.819 1.00 0.00 H new ATOM 302 N VAL A 22 -7.429 10.652 0.939 1.00 0.00 N ATOM 303 CA VAL A 22 -7.393 9.306 1.478 1.00 0.00 C ATOM 304 C VAL A 22 -8.619 8.518 1.048 1.00 0.00 C ATOM 305 O VAL A 22 -8.509 7.383 0.604 1.00 0.00 O ATOM 306 CB VAL A 22 -7.263 9.301 3.026 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.436 7.896 3.584 1.00 0.00 C ATOM 308 CG2 VAL A 22 -5.912 9.865 3.443 1.00 0.00 C ATOM 0 H VAL A 22 -7.494 11.387 1.643 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.504 8.823 1.072 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.054 9.931 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.340 7.921 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.422 7.517 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.670 7.242 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.834 9.856 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.116 9.255 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.818 10.889 3.081 1.00 0.00 H new ATOM 318 N LYS A 23 -9.785 9.130 1.149 1.00 0.00 N ATOM 319 CA LYS A 23 -11.009 8.446 0.764 1.00 0.00 C ATOM 320 C LYS A 23 -11.039 8.124 -0.712 1.00 0.00 C ATOM 321 O LYS A 23 -11.492 7.044 -1.108 1.00 0.00 O ATOM 322 CB LYS A 23 -12.258 9.207 1.203 1.00 0.00 C ATOM 323 CG LYS A 23 -12.435 9.223 2.709 1.00 0.00 C ATOM 324 CD LYS A 23 -12.539 7.804 3.235 1.00 0.00 C ATOM 325 CE LYS A 23 -12.748 7.758 4.725 1.00 0.00 C ATOM 326 NZ LYS A 23 -12.770 6.360 5.207 1.00 0.00 N ATOM 0 H LYS A 23 -9.912 10.084 1.488 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.014 7.496 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.201 10.232 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.136 8.753 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.592 9.732 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.332 9.784 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.366 7.295 2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.630 7.258 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.952 8.308 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.686 8.251 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.745 6.351 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.639 5.893 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.942 5.852 4.836 1.00 0.00 H new ATOM 340 N SER A 24 -10.546 9.042 -1.523 1.00 0.00 N ATOM 341 CA SER A 24 -10.506 8.831 -2.952 1.00 0.00 C ATOM 342 C SER A 24 -9.622 7.630 -3.313 1.00 0.00 C ATOM 343 O SER A 24 -10.004 6.793 -4.135 1.00 0.00 O ATOM 344 CB SER A 24 -10.009 10.093 -3.650 1.00 0.00 C ATOM 345 OG SER A 24 -10.922 11.163 -3.462 1.00 0.00 O ATOM 0 H SER A 24 -10.169 9.938 -1.214 1.00 0.00 H new ATOM 0 HA SER A 24 -11.517 8.611 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.031 10.370 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.882 9.899 -4.715 1.00 0.00 H new ATOM 0 HG SER A 24 -10.751 11.591 -2.597 1.00 0.00 H new ATOM 351 N ILE A 25 -8.453 7.531 -2.680 1.00 0.00 N ATOM 352 CA ILE A 25 -7.558 6.423 -2.949 1.00 0.00 C ATOM 353 C ILE A 25 -8.083 5.113 -2.341 1.00 0.00 C ATOM 354 O ILE A 25 -7.982 4.055 -2.968 1.00 0.00 O ATOM 355 CB ILE A 25 -6.089 6.709 -2.485 1.00 0.00 C ATOM 356 CG1 ILE A 25 -5.135 5.629 -3.002 1.00 0.00 C ATOM 357 CG2 ILE A 25 -5.986 6.822 -0.974 1.00 0.00 C ATOM 358 CD1 ILE A 25 -5.028 5.582 -4.508 1.00 0.00 C ATOM 0 H ILE A 25 -8.113 8.199 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.531 6.306 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.798 7.669 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.144 5.801 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.471 4.657 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.952 7.020 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.619 7.638 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.313 5.889 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.335 4.793 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.010 5.379 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.662 6.540 -4.877 1.00 0.00 H new ATOM 370 N GLU A 26 -8.690 5.191 -1.139 1.00 0.00 N ATOM 371 CA GLU A 26 -9.208 3.989 -0.476 1.00 0.00 C ATOM 372 C GLU A 26 -10.291 3.327 -1.296 1.00 0.00 C ATOM 373 O GLU A 26 -10.319 2.114 -1.417 1.00 0.00 O ATOM 374 CB GLU A 26 -9.777 4.283 0.925 1.00 0.00 C ATOM 375 CG GLU A 26 -8.750 4.621 1.989 1.00 0.00 C ATOM 376 CD GLU A 26 -9.368 4.680 3.381 1.00 0.00 C ATOM 377 OE1 GLU A 26 -10.104 5.649 3.684 1.00 0.00 O ATOM 378 OE2 GLU A 26 -9.126 3.745 4.181 1.00 0.00 O ATOM 0 H GLU A 26 -8.829 6.058 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.352 3.321 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.479 5.113 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.346 3.414 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.956 3.875 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.289 5.581 1.756 1.00 0.00 H new ATOM 385 N ASP A 27 -11.167 4.126 -1.872 1.00 0.00 N ATOM 386 CA ASP A 27 -12.302 3.596 -2.619 1.00 0.00 C ATOM 387 C ASP A 27 -11.862 2.751 -3.810 1.00 0.00 C ATOM 388 O ASP A 27 -12.308 1.610 -3.970 1.00 0.00 O ATOM 389 CB ASP A 27 -13.202 4.736 -3.093 1.00 0.00 C ATOM 390 CG ASP A 27 -14.405 4.249 -3.873 1.00 0.00 C ATOM 391 OD1 ASP A 27 -15.328 3.669 -3.261 1.00 0.00 O ATOM 392 OD2 ASP A 27 -14.442 4.458 -5.099 1.00 0.00 O ATOM 0 H ASP A 27 -11.119 5.144 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.860 2.948 -1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.542 5.307 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.621 5.416 -3.717 1.00 0.00 H new ATOM 397 N ARG A 28 -10.965 3.296 -4.620 1.00 0.00 N ATOM 398 CA ARG A 28 -10.507 2.606 -5.822 1.00 0.00 C ATOM 399 C ARG A 28 -9.718 1.327 -5.489 1.00 0.00 C ATOM 400 O ARG A 28 -9.957 0.262 -6.077 1.00 0.00 O ATOM 401 CB ARG A 28 -9.634 3.540 -6.664 1.00 0.00 C ATOM 402 CG ARG A 28 -10.357 4.752 -7.253 1.00 0.00 C ATOM 403 CD ARG A 28 -11.456 4.351 -8.231 1.00 0.00 C ATOM 404 NE ARG A 28 -12.718 4.041 -7.556 1.00 0.00 N ATOM 405 CZ ARG A 28 -13.771 3.470 -8.145 1.00 0.00 C ATOM 406 NH1 ARG A 28 -13.700 3.062 -9.409 1.00 0.00 N ATOM 407 NH2 ARG A 28 -14.887 3.301 -7.459 1.00 0.00 N ATOM 0 H ARG A 28 -10.540 4.211 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.393 2.316 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.808 3.894 -6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.198 2.965 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.790 5.342 -6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.635 5.391 -7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.617 5.160 -8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.130 3.482 -8.803 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.798 4.278 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.836 3.184 -9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.510 2.627 -9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.939 3.606 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.696 2.866 -7.901 1.00 0.00 H new ATOM 421 N ILE A 29 -8.811 1.423 -4.523 1.00 0.00 N ATOM 422 CA ILE A 29 -7.976 0.284 -4.158 1.00 0.00 C ATOM 423 C ILE A 29 -8.781 -0.781 -3.414 1.00 0.00 C ATOM 424 O ILE A 29 -8.516 -1.967 -3.540 1.00 0.00 O ATOM 425 CB ILE A 29 -6.722 0.711 -3.336 1.00 0.00 C ATOM 426 CG1 ILE A 29 -5.746 -0.465 -3.190 1.00 0.00 C ATOM 427 CG2 ILE A 29 -7.119 1.253 -1.971 1.00 0.00 C ATOM 428 CD1 ILE A 29 -4.404 -0.081 -2.599 1.00 0.00 C ATOM 0 H ILE A 29 -8.636 2.270 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.616 -0.153 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.219 1.511 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.204 -1.228 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.585 -0.914 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.224 1.543 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.764 2.122 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.654 0.483 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.771 -0.966 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.923 0.659 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.551 0.340 -1.605 1.00 0.00 H new ATOM 440 N SER A 30 -9.771 -0.341 -2.647 1.00 0.00 N ATOM 441 CA SER A 30 -10.640 -1.248 -1.922 1.00 0.00 C ATOM 442 C SER A 30 -11.426 -2.108 -2.908 1.00 0.00 C ATOM 443 O SER A 30 -11.637 -3.299 -2.682 1.00 0.00 O ATOM 444 CB SER A 30 -11.591 -0.464 -1.009 1.00 0.00 C ATOM 445 OG SER A 30 -12.397 -1.326 -0.224 1.00 0.00 O ATOM 0 H SER A 30 -9.990 0.646 -2.513 1.00 0.00 H new ATOM 0 HA SER A 30 -10.031 -1.900 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.012 0.188 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.229 0.179 -1.615 1.00 0.00 H new ATOM 0 HG SER A 30 -12.989 -0.792 0.346 1.00 0.00 H new ATOM 451 N ASN A 31 -11.867 -1.485 -4.002 1.00 0.00 N ATOM 452 CA ASN A 31 -12.618 -2.189 -5.036 1.00 0.00 C ATOM 453 C ASN A 31 -11.741 -3.186 -5.776 1.00 0.00 C ATOM 454 O ASN A 31 -12.236 -4.183 -6.305 1.00 0.00 O ATOM 455 CB ASN A 31 -13.255 -1.207 -6.021 1.00 0.00 C ATOM 456 CG ASN A 31 -14.426 -0.449 -5.425 1.00 0.00 C ATOM 457 OD1 ASN A 31 -14.661 0.710 -5.751 1.00 0.00 O ATOM 458 ND2 ASN A 31 -15.177 -1.099 -4.552 1.00 0.00 N ATOM 0 H ASN A 31 -11.716 -0.494 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.415 -2.742 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.500 -0.495 -6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.592 -1.752 -6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.981 -0.637 -4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.953 -2.063 -4.304 1.00 0.00 H new ATOM 465 N LEU A 32 -10.445 -2.921 -5.822 1.00 0.00 N ATOM 466 CA LEU A 32 -9.521 -3.856 -6.443 1.00 0.00 C ATOM 467 C LEU A 32 -9.125 -4.947 -5.456 1.00 0.00 C ATOM 468 O LEU A 32 -8.551 -4.672 -4.404 1.00 0.00 O ATOM 469 CB LEU A 32 -8.269 -3.138 -6.955 1.00 0.00 C ATOM 470 CG LEU A 32 -8.497 -2.090 -8.043 1.00 0.00 C ATOM 471 CD1 LEU A 32 -7.189 -1.409 -8.400 1.00 0.00 C ATOM 472 CD2 LEU A 32 -9.114 -2.730 -9.276 1.00 0.00 C ATOM 0 H LEU A 32 -10.014 -2.078 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.029 -4.311 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.780 -2.655 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.576 -3.887 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.188 -1.339 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.366 -0.665 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.780 -0.920 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.480 -2.152 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.270 -1.970 -10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.444 -3.500 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.071 -3.180 -9.012 1.00 0.00 H new ATOM 484 N LYS A 33 -9.449 -6.178 -5.789 1.00 0.00 N ATOM 485 CA LYS A 33 -9.103 -7.299 -4.943 1.00 0.00 C ATOM 486 C LYS A 33 -7.695 -7.786 -5.249 1.00 0.00 C ATOM 487 O LYS A 33 -7.195 -7.610 -6.368 1.00 0.00 O ATOM 488 CB LYS A 33 -10.125 -8.430 -5.078 1.00 0.00 C ATOM 489 CG LYS A 33 -10.201 -9.049 -6.459 1.00 0.00 C ATOM 490 CD LYS A 33 -11.258 -10.129 -6.503 1.00 0.00 C ATOM 491 CE LYS A 33 -11.350 -10.762 -7.873 1.00 0.00 C ATOM 492 NZ LYS A 33 -12.382 -11.825 -7.917 1.00 0.00 N ATOM 0 H LYS A 33 -9.952 -6.428 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.125 -6.962 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.881 -9.210 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.110 -8.046 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.430 -8.279 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.232 -9.470 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.028 -10.895 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.225 -9.704 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.584 -9.996 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.382 -11.183 -8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.416 -12.236 -8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.145 -12.568 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.310 -11.418 -7.682 1.00 0.00 H new ATOM 506 N GLY A 34 -7.066 -8.396 -4.266 1.00 0.00 N ATOM 507 CA GLY A 34 -5.701 -8.844 -4.423 1.00 0.00 C ATOM 508 C GLY A 34 -4.770 -8.121 -3.478 1.00 0.00 C ATOM 509 O GLY A 34 -3.543 -8.266 -3.554 1.00 0.00 O ATOM 0 H GLY A 34 -7.478 -8.592 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.646 -9.917 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.378 -8.679 -5.451 1.00 0.00 H new ATOM 513 N ILE A 35 -5.352 -7.340 -2.583 1.00 0.00 N ATOM 514 CA ILE A 35 -4.590 -6.613 -1.593 1.00 0.00 C ATOM 515 C ILE A 35 -4.694 -7.318 -0.246 1.00 0.00 C ATOM 516 O ILE A 35 -5.761 -7.816 0.125 1.00 0.00 O ATOM 517 CB ILE A 35 -5.064 -5.137 -1.462 1.00 0.00 C ATOM 518 CG1 ILE A 35 -6.538 -5.070 -1.044 1.00 0.00 C ATOM 519 CG2 ILE A 35 -4.850 -4.390 -2.775 1.00 0.00 C ATOM 520 CD1 ILE A 35 -7.025 -3.671 -0.742 1.00 0.00 C ATOM 0 H ILE A 35 -6.360 -7.195 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.550 -6.594 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.468 -4.657 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.151 -5.494 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.684 -5.694 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.187 -3.359 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.791 -4.401 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.420 -4.876 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.076 -3.706 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.439 -3.250 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.912 -3.047 -1.629 1.00 0.00 H new ATOM 532 N ILE A 36 -3.589 -7.390 0.471 1.00 0.00 N ATOM 533 CA ILE A 36 -3.570 -8.091 1.741 1.00 0.00 C ATOM 534 C ILE A 36 -4.064 -7.197 2.870 1.00 0.00 C ATOM 535 O ILE A 36 -5.038 -7.523 3.553 1.00 0.00 O ATOM 536 CB ILE A 36 -2.151 -8.614 2.077 1.00 0.00 C ATOM 537 CG1 ILE A 36 -1.671 -9.575 0.984 1.00 0.00 C ATOM 538 CG2 ILE A 36 -2.143 -9.307 3.437 1.00 0.00 C ATOM 539 CD1 ILE A 36 -0.226 -9.998 1.133 1.00 0.00 C ATOM 0 H ILE A 36 -2.698 -6.975 0.199 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.243 -8.943 1.644 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.469 -7.765 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.302 -10.463 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.802 -9.099 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.138 -9.668 3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.450 -8.600 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.835 -10.149 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.040 -10.677 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.416 -9.118 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.092 -10.504 2.089 1.00 0.00 H new ATOM 551 N SER A 37 -3.419 -6.063 3.043 1.00 0.00 N ATOM 552 CA SER A 37 -3.777 -5.151 4.106 1.00 0.00 C ATOM 553 C SER A 37 -3.367 -3.726 3.771 1.00 0.00 C ATOM 554 O SER A 37 -2.480 -3.501 2.932 1.00 0.00 O ATOM 555 CB SER A 37 -3.129 -5.612 5.416 1.00 0.00 C ATOM 556 OG SER A 37 -1.718 -5.658 5.294 1.00 0.00 O ATOM 0 H SER A 37 -2.643 -5.751 2.460 1.00 0.00 H new ATOM 0 HA SER A 37 -4.861 -5.158 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.406 -4.933 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.507 -6.598 5.686 1.00 0.00 H new ATOM 0 HG SER A 37 -1.326 -5.953 6.142 1.00 0.00 H new ATOM 562 N MET A 38 -4.025 -2.768 4.408 1.00 0.00 N ATOM 563 CA MET A 38 -3.723 -1.364 4.209 1.00 0.00 C ATOM 564 C MET A 38 -3.737 -0.628 5.537 1.00 0.00 C ATOM 565 O MET A 38 -4.557 -0.920 6.406 1.00 0.00 O ATOM 566 CB MET A 38 -4.746 -0.714 3.270 1.00 0.00 C ATOM 567 CG MET A 38 -4.743 -1.263 1.855 1.00 0.00 C ATOM 568 SD MET A 38 -5.837 -0.340 0.760 1.00 0.00 S ATOM 569 CE MET A 38 -7.443 -0.774 1.427 1.00 0.00 C ATOM 0 H MET A 38 -4.778 -2.944 5.073 1.00 0.00 H new ATOM 0 HA MET A 38 -2.731 -1.297 3.761 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.742 -0.843 3.694 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.553 0.358 3.230 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.728 -1.235 1.459 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.049 -2.309 1.873 1.00 0.00 H new ATOM 0 HE1 MET A 38 -8.218 -0.522 0.703 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.474 -1.844 1.634 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.615 -0.221 2.350 1.00 0.00 H new ATOM 579 N LYS A 39 -2.832 0.308 5.688 1.00 0.00 N ATOM 580 CA LYS A 39 -2.770 1.158 6.862 1.00 0.00 C ATOM 581 C LYS A 39 -2.652 2.599 6.420 1.00 0.00 C ATOM 582 O LYS A 39 -2.083 2.879 5.367 1.00 0.00 O ATOM 583 CB LYS A 39 -1.574 0.800 7.743 1.00 0.00 C ATOM 584 CG LYS A 39 -1.621 -0.595 8.339 1.00 0.00 C ATOM 585 CD LYS A 39 -0.369 -0.881 9.152 1.00 0.00 C ATOM 586 CE LYS A 39 -0.292 0.013 10.382 1.00 0.00 C ATOM 587 NZ LYS A 39 0.919 -0.256 11.190 1.00 0.00 N ATOM 0 H LYS A 39 -2.109 0.507 4.996 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.679 1.010 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.663 0.898 7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.508 1.525 8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.502 -0.694 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.718 -1.332 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.363 -1.927 9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.514 -0.726 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.295 1.058 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.179 -0.140 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.931 0.374 12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.911 -1.246 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.767 -0.086 10.612 1.00 0.00 H new ATOM 601 N VAL A 40 -3.176 3.511 7.202 1.00 0.00 N ATOM 602 CA VAL A 40 -3.113 4.910 6.843 1.00 0.00 C ATOM 603 C VAL A 40 -2.790 5.780 8.052 1.00 0.00 C ATOM 604 O VAL A 40 -3.382 5.631 9.121 1.00 0.00 O ATOM 605 CB VAL A 40 -4.432 5.391 6.164 1.00 0.00 C ATOM 606 CG1 VAL A 40 -5.635 5.200 7.082 1.00 0.00 C ATOM 607 CG2 VAL A 40 -4.316 6.844 5.718 1.00 0.00 C ATOM 0 H VAL A 40 -3.648 3.314 8.085 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.305 5.016 6.120 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.590 4.774 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.537 5.546 6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.740 4.144 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.489 5.774 7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.249 7.156 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.118 7.476 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.499 6.941 5.003 1.00 0.00 H new ATOM 617 N SER A 41 -1.834 6.667 7.882 1.00 0.00 N ATOM 618 CA SER A 41 -1.464 7.588 8.923 1.00 0.00 C ATOM 619 C SER A 41 -1.761 9.009 8.459 1.00 0.00 C ATOM 620 O SER A 41 -1.027 9.573 7.642 1.00 0.00 O ATOM 621 CB SER A 41 0.019 7.427 9.251 1.00 0.00 C ATOM 622 OG SER A 41 0.315 6.086 9.604 1.00 0.00 O ATOM 0 H SER A 41 -1.296 6.766 7.021 1.00 0.00 H new ATOM 0 HA SER A 41 -2.039 7.381 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.620 7.722 8.391 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.289 8.092 10.072 1.00 0.00 H new ATOM 0 HG SER A 41 1.270 6.005 9.808 1.00 0.00 H new ATOM 628 N LEU A 42 -2.840 9.580 8.977 1.00 0.00 N ATOM 629 CA LEU A 42 -3.282 10.909 8.566 1.00 0.00 C ATOM 630 C LEU A 42 -2.253 11.971 8.926 1.00 0.00 C ATOM 631 O LEU A 42 -1.963 12.859 8.130 1.00 0.00 O ATOM 632 CB LEU A 42 -4.631 11.243 9.213 1.00 0.00 C ATOM 633 CG LEU A 42 -5.821 10.388 8.757 1.00 0.00 C ATOM 634 CD1 LEU A 42 -7.059 10.718 9.573 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.095 10.591 7.274 1.00 0.00 C ATOM 0 H LEU A 42 -3.429 9.143 9.686 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.396 10.903 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.529 11.143 10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.861 12.289 9.010 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.568 9.340 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.892 10.102 9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.864 10.519 10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.310 11.771 9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.942 9.975 6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.324 11.640 7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.215 10.303 6.699 1.00 0.00 H new ATOM 647 N GLU A 43 -1.683 11.853 10.117 1.00 0.00 N ATOM 648 CA GLU A 43 -0.683 12.801 10.591 1.00 0.00 C ATOM 649 C GLU A 43 0.568 12.756 9.721 1.00 0.00 C ATOM 650 O GLU A 43 1.166 13.790 9.408 1.00 0.00 O ATOM 651 CB GLU A 43 -0.322 12.519 12.045 1.00 0.00 C ATOM 652 CG GLU A 43 0.669 13.511 12.623 1.00 0.00 C ATOM 653 CD GLU A 43 0.988 13.241 14.067 1.00 0.00 C ATOM 654 OE1 GLU A 43 0.223 13.692 14.943 1.00 0.00 O ATOM 655 OE2 GLU A 43 2.005 12.582 14.336 1.00 0.00 O ATOM 0 H GLU A 43 -1.897 11.105 10.777 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.112 13.801 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.231 12.532 12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.095 11.515 12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.590 13.480 12.040 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.265 14.519 12.527 1.00 0.00 H new ATOM 662 N GLN A 44 0.953 11.555 9.328 1.00 0.00 N ATOM 663 CA GLN A 44 2.137 11.360 8.513 1.00 0.00 C ATOM 664 C GLN A 44 1.879 11.826 7.084 1.00 0.00 C ATOM 665 O GLN A 44 2.786 12.301 6.397 1.00 0.00 O ATOM 666 CB GLN A 44 2.542 9.884 8.523 1.00 0.00 C ATOM 667 CG GLN A 44 3.873 9.599 7.852 1.00 0.00 C ATOM 668 CD GLN A 44 5.024 10.316 8.518 1.00 0.00 C ATOM 669 OE1 GLN A 44 5.372 11.432 8.146 1.00 0.00 O ATOM 670 NE2 GLN A 44 5.621 9.680 9.503 1.00 0.00 N ATOM 0 H GLN A 44 0.458 10.695 9.563 1.00 0.00 H new ATOM 0 HA GLN A 44 2.952 11.953 8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.587 9.538 9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.766 9.302 8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.061 8.525 7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.820 9.899 6.805 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.299 8.753 9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.406 10.114 9.989 1.00 0.00 H new ATOM 679 N GLY A 45 0.632 11.725 6.656 1.00 0.00 N ATOM 680 CA GLY A 45 0.280 12.125 5.313 1.00 0.00 C ATOM 681 C GLY A 45 0.625 11.059 4.304 1.00 0.00 C ATOM 682 O GLY A 45 0.705 11.326 3.109 1.00 0.00 O ATOM 0 H GLY A 45 -0.144 11.372 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.788 12.339 5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.802 13.048 5.060 1.00 0.00 H new ATOM 686 N SER A 46 0.831 9.848 4.787 1.00 0.00 N ATOM 687 CA SER A 46 1.171 8.741 3.928 1.00 0.00 C ATOM 688 C SER A 46 0.491 7.467 4.408 1.00 0.00 C ATOM 689 O SER A 46 0.098 7.357 5.581 1.00 0.00 O ATOM 690 CB SER A 46 2.695 8.554 3.874 1.00 0.00 C ATOM 691 OG SER A 46 3.227 8.250 5.152 1.00 0.00 O ATOM 0 H SER A 46 0.767 9.610 5.777 1.00 0.00 H new ATOM 0 HA SER A 46 0.816 8.961 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.940 7.753 3.177 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.161 9.462 3.492 1.00 0.00 H new ATOM 0 HG SER A 46 4.198 8.135 5.083 1.00 0.00 H new ATOM 697 N ALA A 47 0.351 6.513 3.514 1.00 0.00 N ATOM 698 CA ALA A 47 -0.292 5.258 3.836 1.00 0.00 C ATOM 699 C ALA A 47 0.622 4.085 3.520 1.00 0.00 C ATOM 700 O ALA A 47 1.377 4.122 2.548 1.00 0.00 O ATOM 701 CB ALA A 47 -1.603 5.130 3.073 1.00 0.00 C ATOM 0 H ALA A 47 0.677 6.584 2.550 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.504 5.244 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.078 4.182 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.265 5.951 3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.405 5.165 2.002 1.00 0.00 H new ATOM 707 N THR A 48 0.546 3.056 4.340 1.00 0.00 N ATOM 708 CA THR A 48 1.336 1.855 4.153 1.00 0.00 C ATOM 709 C THR A 48 0.437 0.768 3.584 1.00 0.00 C ATOM 710 O THR A 48 -0.585 0.440 4.168 1.00 0.00 O ATOM 711 CB THR A 48 1.923 1.370 5.501 1.00 0.00 C ATOM 712 OG1 THR A 48 2.715 2.414 6.090 1.00 0.00 O ATOM 713 CG2 THR A 48 2.792 0.133 5.303 1.00 0.00 C ATOM 0 H THR A 48 -0.066 3.029 5.156 1.00 0.00 H new ATOM 0 HA THR A 48 2.159 2.072 3.472 1.00 0.00 H new ATOM 0 HB THR A 48 1.094 1.115 6.161 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.083 2.103 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.193 -0.188 6.265 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.191 -0.669 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.615 0.370 4.628 1.00 0.00 H new ATOM 721 N VAL A 49 0.805 0.224 2.451 1.00 0.00 N ATOM 722 CA VAL A 49 -0.015 -0.790 1.809 1.00 0.00 C ATOM 723 C VAL A 49 0.789 -2.044 1.504 1.00 0.00 C ATOM 724 O VAL A 49 1.998 -1.974 1.272 1.00 0.00 O ATOM 725 CB VAL A 49 -0.657 -0.251 0.503 1.00 0.00 C ATOM 726 CG1 VAL A 49 -1.639 0.874 0.810 1.00 0.00 C ATOM 727 CG2 VAL A 49 0.418 0.240 -0.460 1.00 0.00 C ATOM 0 H VAL A 49 1.662 0.460 1.951 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.809 -1.047 2.511 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.202 -1.069 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.078 1.238 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.428 0.500 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.114 1.690 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.052 0.614 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.989 1.041 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.087 -0.584 -0.709 1.00 0.00 H new ATOM 737 N LYS A 50 0.114 -3.188 1.525 1.00 0.00 N ATOM 738 CA LYS A 50 0.745 -4.466 1.241 1.00 0.00 C ATOM 739 C LYS A 50 -0.125 -5.293 0.298 1.00 0.00 C ATOM 740 O LYS A 50 -1.244 -5.686 0.650 1.00 0.00 O ATOM 741 CB LYS A 50 0.986 -5.224 2.550 1.00 0.00 C ATOM 742 CG LYS A 50 1.598 -6.608 2.374 1.00 0.00 C ATOM 743 CD LYS A 50 2.006 -7.205 3.714 1.00 0.00 C ATOM 744 CE LYS A 50 0.807 -7.401 4.627 1.00 0.00 C ATOM 745 NZ LYS A 50 1.193 -7.991 5.928 1.00 0.00 N ATOM 0 H LYS A 50 -0.881 -3.253 1.739 1.00 0.00 H new ATOM 0 HA LYS A 50 1.703 -4.288 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.642 -4.628 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.037 -5.324 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.881 -7.266 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.469 -6.543 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.500 -8.163 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.730 -6.551 4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.318 -6.441 4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.080 -8.048 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.347 -8.108 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.637 -8.918 5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.867 -7.362 6.408 1.00 0.00 H new ATOM 759 N TYR A 51 0.388 -5.548 -0.895 1.00 0.00 N ATOM 760 CA TYR A 51 -0.335 -6.310 -1.904 1.00 0.00 C ATOM 761 C TYR A 51 0.605 -6.832 -2.978 1.00 0.00 C ATOM 762 O TYR A 51 1.785 -6.479 -3.005 1.00 0.00 O ATOM 763 CB TYR A 51 -1.456 -5.468 -2.532 1.00 0.00 C ATOM 764 CG TYR A 51 -0.993 -4.186 -3.192 1.00 0.00 C ATOM 765 CD1 TYR A 51 -0.591 -4.166 -4.521 1.00 0.00 C ATOM 766 CD2 TYR A 51 -0.970 -2.994 -2.485 1.00 0.00 C ATOM 767 CE1 TYR A 51 -0.179 -2.994 -5.121 1.00 0.00 C ATOM 768 CE2 TYR A 51 -0.559 -1.821 -3.080 1.00 0.00 C ATOM 769 CZ TYR A 51 -0.165 -1.826 -4.395 1.00 0.00 C ATOM 770 OH TYR A 51 0.244 -0.657 -4.987 1.00 0.00 O ATOM 0 H TYR A 51 1.312 -5.235 -1.192 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.789 -7.167 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.975 -6.075 -3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.182 -5.220 -1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.601 -5.082 -5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.279 -2.984 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.131 -2.994 -6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.547 -0.901 -2.514 1.00 0.00 H new ATOM 0 HH TYR A 51 0.193 0.074 -4.337 1.00 0.00 H new ATOM 780 N VAL A 52 0.088 -7.691 -3.842 1.00 0.00 N ATOM 781 CA VAL A 52 0.866 -8.213 -4.953 1.00 0.00 C ATOM 782 C VAL A 52 0.840 -7.210 -6.110 1.00 0.00 C ATOM 783 O VAL A 52 -0.222 -6.943 -6.682 1.00 0.00 O ATOM 784 CB VAL A 52 0.310 -9.572 -5.440 1.00 0.00 C ATOM 785 CG1 VAL A 52 1.140 -10.113 -6.595 1.00 0.00 C ATOM 786 CG2 VAL A 52 0.268 -10.573 -4.292 1.00 0.00 C ATOM 0 H VAL A 52 -0.869 -8.042 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 52 1.889 -8.365 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.708 -9.417 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.730 -11.069 -6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.114 -9.406 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.171 -10.252 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.126 -11.523 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.275 -10.722 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.375 -10.191 -3.499 1.00 0.00 H new ATOM 796 N PRO A 53 2.009 -6.652 -6.478 1.00 0.00 N ATOM 797 CA PRO A 53 2.103 -5.619 -7.519 1.00 0.00 C ATOM 798 C PRO A 53 1.702 -6.116 -8.911 1.00 0.00 C ATOM 799 O PRO A 53 1.341 -5.323 -9.775 1.00 0.00 O ATOM 800 CB PRO A 53 3.577 -5.199 -7.487 1.00 0.00 C ATOM 801 CG PRO A 53 4.291 -6.354 -6.882 1.00 0.00 C ATOM 802 CD PRO A 53 3.330 -6.979 -5.907 1.00 0.00 C ATOM 0 HA PRO A 53 1.412 -4.799 -7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.949 -4.986 -8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.717 -4.294 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.590 -7.071 -7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.201 -6.028 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.479 -8.056 -5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.449 -6.567 -4.905 1.00 0.00 H new ATOM 810 N SER A 54 1.797 -7.418 -9.142 1.00 0.00 N ATOM 811 CA SER A 54 1.373 -7.969 -10.417 1.00 0.00 C ATOM 812 C SER A 54 -0.138 -7.783 -10.600 1.00 0.00 C ATOM 813 O SER A 54 -0.603 -7.408 -11.681 1.00 0.00 O ATOM 814 CB SER A 54 1.752 -9.450 -10.535 1.00 0.00 C ATOM 815 OG SER A 54 1.370 -9.977 -11.794 1.00 0.00 O ATOM 0 H SER A 54 2.158 -8.100 -8.475 1.00 0.00 H new ATOM 0 HA SER A 54 1.891 -7.429 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.828 -9.565 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.269 -10.016 -9.739 1.00 0.00 H new ATOM 0 HG SER A 54 1.624 -10.922 -11.844 1.00 0.00 H new ATOM 821 N VAL A 55 -0.900 -8.038 -9.533 1.00 0.00 N ATOM 822 CA VAL A 55 -2.350 -7.899 -9.583 1.00 0.00 C ATOM 823 C VAL A 55 -2.730 -6.427 -9.740 1.00 0.00 C ATOM 824 O VAL A 55 -3.523 -6.062 -10.613 1.00 0.00 O ATOM 825 CB VAL A 55 -3.012 -8.475 -8.308 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.515 -8.241 -8.322 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.699 -9.957 -8.168 1.00 0.00 C ATOM 0 H VAL A 55 -0.535 -8.340 -8.630 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.712 -8.463 -10.442 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.599 -7.953 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.956 -8.655 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.716 -7.171 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.951 -8.729 -9.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.172 -10.345 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.080 -10.493 -9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.620 -10.096 -8.100 1.00 0.00 H new ATOM 837 N VAL A 56 -2.148 -5.591 -8.902 1.00 0.00 N ATOM 838 CA VAL A 56 -2.352 -4.155 -8.975 1.00 0.00 C ATOM 839 C VAL A 56 -0.999 -3.480 -9.001 1.00 0.00 C ATOM 840 O VAL A 56 -0.215 -3.638 -8.074 1.00 0.00 O ATOM 841 CB VAL A 56 -3.162 -3.622 -7.761 1.00 0.00 C ATOM 842 CG1 VAL A 56 -3.361 -2.116 -7.861 1.00 0.00 C ATOM 843 CG2 VAL A 56 -4.505 -4.331 -7.646 1.00 0.00 C ATOM 0 H VAL A 56 -1.522 -5.886 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.922 -3.934 -9.878 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.588 -3.833 -6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.931 -1.766 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.390 -1.621 -7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.905 -1.881 -8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.051 -3.939 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.085 -4.162 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.342 -5.401 -7.514 1.00 0.00 H new ATOM 853 N CYS A 57 -0.714 -2.743 -10.050 1.00 0.00 N ATOM 854 CA CYS A 57 0.575 -2.099 -10.157 1.00 0.00 C ATOM 855 C CYS A 57 0.606 -0.781 -9.390 1.00 0.00 C ATOM 856 O CYS A 57 -0.428 -0.129 -9.200 1.00 0.00 O ATOM 857 CB CYS A 57 0.965 -1.900 -11.627 1.00 0.00 C ATOM 858 SG CYS A 57 -0.125 -0.809 -12.557 1.00 0.00 S ATOM 0 H CYS A 57 -1.348 -2.576 -10.832 1.00 0.00 H new ATOM 0 HA CYS A 57 1.315 -2.756 -9.700 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.978 -1.500 -11.668 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.986 -2.873 -12.117 1.00 0.00 H new ATOM 0 HG CYS A 57 0.300 -0.712 -13.782 1.00 0.00 H new ATOM 864 N LEU A 58 1.802 -0.385 -8.979 1.00 0.00 N ATOM 865 CA LEU A 58 2.011 0.834 -8.210 1.00 0.00 C ATOM 866 C LEU A 58 1.594 2.054 -9.019 1.00 0.00 C ATOM 867 O LEU A 58 1.040 3.018 -8.485 1.00 0.00 O ATOM 868 CB LEU A 58 3.487 0.955 -7.816 1.00 0.00 C ATOM 869 CG LEU A 58 4.008 -0.086 -6.818 1.00 0.00 C ATOM 870 CD1 LEU A 58 5.512 0.045 -6.653 1.00 0.00 C ATOM 871 CD2 LEU A 58 3.316 0.064 -5.472 1.00 0.00 C ATOM 0 H LEU A 58 2.660 -0.903 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 58 1.399 0.785 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.090 0.893 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.649 1.946 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 58 3.784 -1.077 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.866 -0.701 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.999 -0.112 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.752 1.042 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.701 -0.685 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.508 1.060 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.242 -0.076 -5.597 1.00 0.00 H new ATOM 883 N GLN A 59 1.877 2.007 -10.306 1.00 0.00 N ATOM 884 CA GLN A 59 1.546 3.094 -11.210 1.00 0.00 C ATOM 885 C GLN A 59 0.037 3.310 -11.298 1.00 0.00 C ATOM 886 O GLN A 59 -0.428 4.449 -11.338 1.00 0.00 O ATOM 887 CB GLN A 59 2.127 2.822 -12.591 1.00 0.00 C ATOM 888 CG GLN A 59 3.643 2.902 -12.634 1.00 0.00 C ATOM 889 CD GLN A 59 4.212 2.453 -13.959 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.637 1.606 -14.640 1.00 0.00 O ATOM 891 NE2 GLN A 59 5.346 3.003 -14.328 1.00 0.00 N ATOM 0 H GLN A 59 2.341 1.217 -10.755 1.00 0.00 H new ATOM 0 HA GLN A 59 1.987 4.008 -10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.813 1.831 -12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.712 3.539 -13.299 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.954 3.928 -12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.058 2.285 -11.837 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.791 3.702 -13.734 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.782 2.731 -15.209 1.00 0.00 H new ATOM 900 N GLN A 60 -0.723 2.217 -11.313 1.00 0.00 N ATOM 901 CA GLN A 60 -2.176 2.304 -11.412 1.00 0.00 C ATOM 902 C GLN A 60 -2.729 2.987 -10.155 1.00 0.00 C ATOM 903 O GLN A 60 -3.648 3.797 -10.230 1.00 0.00 O ATOM 904 CB GLN A 60 -2.790 0.902 -11.590 1.00 0.00 C ATOM 905 CG GLN A 60 -4.169 0.895 -12.252 1.00 0.00 C ATOM 906 CD GLN A 60 -5.280 1.425 -11.379 1.00 0.00 C ATOM 907 OE1 GLN A 60 -5.277 1.259 -10.167 1.00 0.00 O ATOM 908 NE2 GLN A 60 -6.232 2.085 -12.000 1.00 0.00 N ATOM 0 H GLN A 60 -0.358 1.266 -11.258 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.444 2.898 -12.286 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.111 0.294 -12.188 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.867 0.426 -10.613 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.124 1.490 -13.164 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.411 -0.125 -12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.196 2.200 -13.013 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.007 2.482 -11.469 1.00 0.00 H new ATOM 917 N VAL A 61 -2.137 2.664 -9.007 1.00 0.00 N ATOM 918 CA VAL A 61 -2.530 3.269 -7.731 1.00 0.00 C ATOM 919 C VAL A 61 -2.299 4.785 -7.771 1.00 0.00 C ATOM 920 O VAL A 61 -3.152 5.576 -7.352 1.00 0.00 O ATOM 921 CB VAL A 61 -1.739 2.644 -6.552 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.000 3.391 -5.251 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.092 1.174 -6.402 1.00 0.00 C ATOM 0 H VAL A 61 -1.380 1.984 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.591 3.072 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.676 2.730 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.431 2.928 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.693 4.431 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.063 3.350 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.530 0.748 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.160 1.074 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.840 0.644 -7.320 1.00 0.00 H new ATOM 933 N CYS A 62 -1.149 5.177 -8.301 1.00 0.00 N ATOM 934 CA CYS A 62 -0.810 6.580 -8.470 1.00 0.00 C ATOM 935 C CYS A 62 -1.842 7.240 -9.388 1.00 0.00 C ATOM 936 O CYS A 62 -2.276 8.371 -9.160 1.00 0.00 O ATOM 937 CB CYS A 62 0.600 6.709 -9.058 1.00 0.00 C ATOM 938 SG CYS A 62 1.186 8.404 -9.237 1.00 0.00 S ATOM 0 H CYS A 62 -0.428 4.532 -8.625 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.824 7.082 -7.503 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.296 6.163 -8.421 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.617 6.227 -10.036 1.00 0.00 H new ATOM 0 HG CYS A 62 2.385 8.398 -9.739 1.00 0.00 H new ATOM 944 N HIS A 63 -2.225 6.506 -10.418 1.00 0.00 N ATOM 945 CA HIS A 63 -3.228 6.935 -11.380 1.00 0.00 C ATOM 946 C HIS A 63 -4.576 7.195 -10.687 1.00 0.00 C ATOM 947 O HIS A 63 -5.279 8.155 -11.016 1.00 0.00 O ATOM 948 CB HIS A 63 -3.372 5.862 -12.476 1.00 0.00 C ATOM 949 CG HIS A 63 -4.392 6.162 -13.530 1.00 0.00 C ATOM 950 ND1 HIS A 63 -5.673 5.656 -13.500 1.00 0.00 N ATOM 951 CD2 HIS A 63 -4.311 6.900 -14.658 1.00 0.00 C ATOM 952 CE1 HIS A 63 -6.331 6.069 -14.566 1.00 0.00 C ATOM 953 NE2 HIS A 63 -5.528 6.825 -15.282 1.00 0.00 N ATOM 0 H HIS A 63 -1.843 5.581 -10.614 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.909 7.872 -11.836 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.404 5.725 -12.958 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.629 4.914 -12.003 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.447 7.448 -15.004 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.355 5.827 -14.809 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.772 7.282 -16.161 1.00 0.00 H new ATOM 961 N GLN A 64 -4.919 6.339 -9.722 1.00 0.00 N ATOM 962 CA GLN A 64 -6.196 6.438 -9.008 1.00 0.00 C ATOM 963 C GLN A 64 -6.330 7.779 -8.291 1.00 0.00 C ATOM 964 O GLN A 64 -7.364 8.440 -8.382 1.00 0.00 O ATOM 965 CB GLN A 64 -6.296 5.328 -7.957 1.00 0.00 C ATOM 966 CG GLN A 64 -6.428 3.926 -8.522 1.00 0.00 C ATOM 967 CD GLN A 64 -6.316 2.860 -7.444 1.00 0.00 C ATOM 968 OE1 GLN A 64 -5.637 3.045 -6.442 1.00 0.00 O ATOM 969 NE2 GLN A 64 -6.986 1.746 -7.640 1.00 0.00 N ATOM 0 H GLN A 64 -4.328 5.566 -9.415 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.990 6.342 -9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.410 5.367 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.155 5.529 -7.317 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.388 3.829 -9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.654 3.764 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.541 1.627 -8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.950 1.000 -6.945 1.00 0.00 H new ATOM 978 N ILE A 65 -5.280 8.183 -7.596 1.00 0.00 N ATOM 979 CA ILE A 65 -5.316 9.424 -6.838 1.00 0.00 C ATOM 980 C ILE A 65 -5.041 10.649 -7.719 1.00 0.00 C ATOM 981 O ILE A 65 -5.614 11.726 -7.500 1.00 0.00 O ATOM 982 CB ILE A 65 -4.349 9.392 -5.623 1.00 0.00 C ATOM 983 CG1 ILE A 65 -4.575 10.613 -4.729 1.00 0.00 C ATOM 984 CG2 ILE A 65 -2.894 9.307 -6.072 1.00 0.00 C ATOM 985 CD1 ILE A 65 -3.844 10.545 -3.411 1.00 0.00 C ATOM 0 H ILE A 65 -4.398 7.675 -7.540 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.332 9.516 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.565 8.494 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.257 11.508 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.643 10.719 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.244 9.286 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.746 8.398 -6.656 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.651 10.175 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.053 11.445 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.179 9.670 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.772 10.471 -3.593 1.00 0.00 H new ATOM 997 N GLY A 66 -4.189 10.472 -8.726 1.00 0.00 N ATOM 998 CA GLY A 66 -3.837 11.568 -9.610 1.00 0.00 C ATOM 999 C GLY A 66 -5.036 12.122 -10.350 1.00 0.00 C ATOM 1000 O GLY A 66 -5.160 13.335 -10.517 1.00 0.00 O ATOM 0 H GLY A 66 -3.735 9.585 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.372 12.365 -9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.095 11.225 -10.331 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.925 11.233 -10.785 1.00 0.00 N ATOM 1005 CA ASP A 67 -7.146 11.641 -11.491 1.00 0.00 C ATOM 1006 C ASP A 67 -8.022 12.506 -10.609 1.00 0.00 C ATOM 1007 O ASP A 67 -8.641 13.460 -11.077 1.00 0.00 O ATOM 1008 CB ASP A 67 -7.940 10.430 -11.981 1.00 0.00 C ATOM 1009 CG ASP A 67 -7.279 9.720 -13.138 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -6.375 10.310 -13.774 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -7.666 8.574 -13.430 1.00 0.00 O ATOM 0 H ASP A 67 -5.827 10.225 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.835 12.224 -12.358 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.068 9.728 -11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.937 10.753 -12.282 1.00 0.00 H new ATOM 1016 N MET A 68 -8.071 12.164 -9.329 1.00 0.00 N ATOM 1017 CA MET A 68 -8.862 12.907 -8.358 1.00 0.00 C ATOM 1018 C MET A 68 -8.371 14.350 -8.239 1.00 0.00 C ATOM 1019 O MET A 68 -9.150 15.264 -7.948 1.00 0.00 O ATOM 1020 CB MET A 68 -8.829 12.220 -6.992 1.00 0.00 C ATOM 1021 CG MET A 68 -9.729 12.875 -5.959 1.00 0.00 C ATOM 1022 SD MET A 68 -11.463 12.865 -6.442 1.00 0.00 S ATOM 1023 CE MET A 68 -12.192 13.778 -5.086 1.00 0.00 C ATOM 0 H MET A 68 -7.567 11.369 -8.936 1.00 0.00 H new ATOM 0 HA MET A 68 -9.893 12.925 -8.712 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.126 11.178 -7.112 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.804 12.219 -6.620 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.618 12.357 -5.006 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.406 13.904 -5.802 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.249 13.524 -5.003 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.682 13.520 -4.158 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.090 14.847 -5.271 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.083 14.551 -8.466 1.00 0.00 N ATOM 1034 CA GLY A 69 -6.522 15.880 -8.383 1.00 0.00 C ATOM 1035 C GLY A 69 -5.524 16.019 -7.261 1.00 0.00 C ATOM 1036 O GLY A 69 -5.046 17.118 -6.976 1.00 0.00 O ATOM 0 H GLY A 69 -6.417 13.817 -8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.037 16.125 -9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.326 16.602 -8.240 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.199 14.917 -6.622 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.239 14.932 -5.540 1.00 0.00 C ATOM 1042 C PHE A 70 -2.989 14.188 -5.951 1.00 0.00 C ATOM 1043 O PHE A 70 -3.065 13.125 -6.562 1.00 0.00 O ATOM 1044 CB PHE A 70 -4.836 14.319 -4.275 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.031 15.064 -3.759 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -5.874 16.246 -3.059 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.311 14.589 -3.984 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -6.969 16.939 -2.589 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -8.411 15.278 -3.518 1.00 0.00 C ATOM 1050 CZ PHE A 70 -8.240 16.454 -2.820 1.00 0.00 C ATOM 0 H PHE A 70 -5.586 13.997 -6.833 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.978 15.967 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.121 13.287 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.072 14.290 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.881 16.631 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.450 13.668 -4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.832 17.860 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.405 14.897 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.100 16.995 -2.454 1.00 0.00 H new ATOM 1060 N GLU A 71 -1.846 14.746 -5.628 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.586 14.144 -6.001 1.00 0.00 C ATOM 1062 C GLU A 71 -0.034 13.301 -4.858 1.00 0.00 C ATOM 1063 O GLU A 71 -0.198 13.639 -3.681 1.00 0.00 O ATOM 1064 CB GLU A 71 0.416 15.226 -6.407 1.00 0.00 C ATOM 1065 CG GLU A 71 0.693 16.242 -5.315 1.00 0.00 C ATOM 1066 CD GLU A 71 1.560 17.378 -5.785 1.00 0.00 C ATOM 1067 OE1 GLU A 71 1.011 18.378 -6.290 1.00 0.00 O ATOM 1068 OE2 GLU A 71 2.797 17.284 -5.654 1.00 0.00 O ATOM 0 H GLU A 71 -1.762 15.618 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.753 13.488 -6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.354 14.751 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.039 15.746 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.252 16.640 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.178 15.744 -4.475 1.00 0.00 H new ATOM 1075 N ALA A 72 0.605 12.210 -5.206 1.00 0.00 N ATOM 1076 CA ALA A 72 1.175 11.311 -4.229 1.00 0.00 C ATOM 1077 C ALA A 72 2.428 10.656 -4.781 1.00 0.00 C ATOM 1078 O ALA A 72 2.560 10.494 -5.998 1.00 0.00 O ATOM 1079 CB ALA A 72 0.152 10.251 -3.844 1.00 0.00 C ATOM 0 H ALA A 72 0.745 11.920 -6.174 1.00 0.00 H new ATOM 0 HA ALA A 72 1.447 11.881 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.587 9.576 -3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.729 10.733 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.136 9.685 -4.730 1.00 0.00 H new ATOM 1085 N SER A 73 3.346 10.280 -3.905 1.00 0.00 N ATOM 1086 CA SER A 73 4.547 9.605 -4.342 1.00 0.00 C ATOM 1087 C SER A 73 4.803 8.376 -3.492 1.00 0.00 C ATOM 1088 O SER A 73 4.458 8.341 -2.308 1.00 0.00 O ATOM 1089 CB SER A 73 5.750 10.555 -4.335 1.00 0.00 C ATOM 1090 OG SER A 73 5.986 11.085 -3.047 1.00 0.00 O ATOM 0 H SER A 73 3.280 10.431 -2.898 1.00 0.00 H new ATOM 0 HA SER A 73 4.401 9.277 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.637 10.022 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.575 11.370 -5.038 1.00 0.00 H new ATOM 0 HG SER A 73 6.760 11.685 -3.077 1.00 0.00 H new ATOM 1096 N ILE A 74 5.410 7.380 -4.089 1.00 0.00 N ATOM 1097 CA ILE A 74 5.632 6.121 -3.426 1.00 0.00 C ATOM 1098 C ILE A 74 7.003 6.081 -2.790 1.00 0.00 C ATOM 1099 O ILE A 74 8.017 6.319 -3.452 1.00 0.00 O ATOM 1100 CB ILE A 74 5.488 4.947 -4.418 1.00 0.00 C ATOM 1101 CG1 ILE A 74 4.092 4.965 -5.044 1.00 0.00 C ATOM 1102 CG2 ILE A 74 5.746 3.614 -3.719 1.00 0.00 C ATOM 1103 CD1 ILE A 74 3.913 3.966 -6.153 1.00 0.00 C ATOM 0 H ILE A 74 5.763 7.420 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 74 4.878 6.021 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 74 6.231 5.062 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.353 4.768 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.890 5.964 -5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.639 2.800 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.756 3.607 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.027 3.482 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.899 4.038 -6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.628 4.174 -6.949 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.082 2.960 -5.768 1.00 0.00 H new ATOM 1115 N ALA A 75 7.029 5.798 -1.506 1.00 0.00 N ATOM 1116 CA ALA A 75 8.281 5.716 -0.770 1.00 0.00 C ATOM 1117 C ALA A 75 8.398 4.384 -0.037 1.00 0.00 C ATOM 1118 O ALA A 75 7.390 3.797 0.350 1.00 0.00 O ATOM 1119 CB ALA A 75 8.395 6.876 0.210 1.00 0.00 C ATOM 0 H ALA A 75 6.196 5.619 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 75 9.101 5.780 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.337 6.802 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.365 7.818 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.565 6.839 0.915 1.00 0.00 H new ATOM 1125 N GLU A 76 9.633 3.915 0.133 1.00 0.00 N ATOM 1126 CA GLU A 76 9.925 2.653 0.825 1.00 0.00 C ATOM 1127 C GLU A 76 9.190 1.479 0.167 1.00 0.00 C ATOM 1128 O GLU A 76 8.200 0.982 0.745 1.00 0.00 O ATOM 1129 CB GLU A 76 9.562 2.751 2.319 1.00 0.00 C ATOM 1130 CG GLU A 76 10.012 1.554 3.148 1.00 0.00 C ATOM 1131 CD GLU A 76 9.602 1.666 4.598 1.00 0.00 C ATOM 1132 OE1 GLU A 76 8.398 1.515 4.894 1.00 0.00 O ATOM 1133 OE2 GLU A 76 10.481 1.903 5.454 1.00 0.00 O ATOM 1134 OXT GLU A 76 9.601 1.066 -0.936 1.00 0.00 O ATOM 0 H GLU A 76 10.465 4.399 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 76 10.996 2.469 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.010 3.655 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.481 2.859 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.589 0.643 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.096 1.461 3.087 1.00 0.00 H new TER 1141 GLU A 76