USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 607 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 36 GLN : amide:sc= -2.28 K(o=-7,f=-16!) USER MOD Set 1.2: A 52 HIS : no HE2:sc= -4.72! C(o=-7!,f=-8.4!) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 26 SER OG : rot 180:sc= -0.223 USER MOD Set 3.2: A 42 THR OG1 : rot 130:sc= 0.0154 USER MOD Set 4.1: A 4 SER OG : rot -122:sc= 1.16 USER MOD Set 4.2: A 7 SER OG : rot -130:sc= 1.09 USER MOD Single : A 1 THR N :NH3+ 146:sc= 0.0445 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0412 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -24:sc= 0.492 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 63:sc= -0.448 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.03) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 90:sc= -0.422 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -77:sc= 1.16 USER MOD Single : A 32 ASN : amide:sc= -0.503 K(o=-0.5,f=-1.8) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= -0.377 (180deg=-0.53) USER MOD Single : A 51 THR OG1 : rot -171:sc= 0.992 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.36) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -53:sc= 0.671 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 91:sc= -0.956 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 0.902 15.040 5.627 1.00 0.00 N ATOM 2 CA THR A 1 1.190 15.260 7.074 1.00 0.00 C ATOM 3 C THR A 1 2.119 14.161 7.599 1.00 0.00 C ATOM 4 O THR A 1 3.275 14.398 7.889 1.00 0.00 O ATOM 5 CB THR A 1 -0.174 15.187 7.764 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.016 16.210 7.249 1.00 0.00 O ATOM 7 CG2 THR A 1 0.002 15.378 9.271 1.00 0.00 C ATOM 0 H1 THR A 1 -0.068 15.349 5.415 1.00 0.00 H new ATOM 0 H2 THR A 1 1.573 15.588 5.052 1.00 0.00 H new ATOM 0 H3 THR A 1 1.000 14.029 5.403 1.00 0.00 H new ATOM 0 HA THR A 1 1.688 16.212 7.258 1.00 0.00 H new ATOM 0 HB THR A 1 -0.626 14.213 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 1 -1.891 16.165 7.688 1.00 0.00 H new ATOM 0 HG21 THR A 1 -0.971 15.326 9.760 1.00 0.00 H new ATOM 0 HG22 THR A 1 0.649 14.594 9.664 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.453 16.351 9.464 1.00 0.00 H new ATOM 17 N ARG A 2 1.623 12.960 7.721 1.00 0.00 N ATOM 18 CA ARG A 2 2.479 11.848 8.224 1.00 0.00 C ATOM 19 C ARG A 2 3.096 11.087 7.047 1.00 0.00 C ATOM 20 O ARG A 2 2.430 10.330 6.369 1.00 0.00 O ATOM 21 CB ARG A 2 1.530 10.943 9.011 1.00 0.00 C ATOM 22 CG ARG A 2 0.871 11.749 10.133 1.00 0.00 C ATOM 23 CD ARG A 2 0.242 10.793 11.148 1.00 0.00 C ATOM 24 NE ARG A 2 -0.530 11.669 12.072 1.00 0.00 N ATOM 25 CZ ARG A 2 -0.508 11.444 13.357 1.00 0.00 C ATOM 26 NH1 ARG A 2 -1.027 10.348 13.837 1.00 0.00 N ATOM 27 NH2 ARG A 2 0.037 12.315 14.162 1.00 0.00 N ATOM 0 H ARG A 2 0.663 12.701 7.494 1.00 0.00 H new ATOM 0 HA ARG A 2 3.304 12.205 8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.769 10.532 8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.078 10.099 9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.611 12.381 10.624 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.109 12.411 9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.407 10.067 10.658 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.005 10.228 11.684 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.077 12.446 11.700 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.450 9.666 13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.009 10.173 14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.445 13.171 13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.055 12.140 15.167 1.00 0.00 H new ATOM 41 N GLY A 3 4.361 11.285 6.796 1.00 0.00 N ATOM 42 CA GLY A 3 5.014 10.576 5.660 1.00 0.00 C ATOM 43 C GLY A 3 6.005 9.543 6.198 1.00 0.00 C ATOM 44 O GLY A 3 5.872 9.056 7.302 1.00 0.00 O ATOM 0 H GLY A 3 4.970 11.907 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.261 10.085 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.531 11.292 5.021 1.00 0.00 H new ATOM 48 N SER A 4 6.999 9.205 5.422 1.00 0.00 N ATOM 49 CA SER A 4 8.001 8.203 5.885 1.00 0.00 C ATOM 50 C SER A 4 9.360 8.481 5.241 1.00 0.00 C ATOM 51 O SER A 4 9.671 9.599 4.881 1.00 0.00 O ATOM 52 CB SER A 4 7.456 6.853 5.420 1.00 0.00 C ATOM 53 OG SER A 4 8.019 5.819 6.217 1.00 0.00 O ATOM 0 H SER A 4 7.160 9.580 4.487 1.00 0.00 H new ATOM 0 HA SER A 4 8.147 8.234 6.965 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.369 6.839 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.699 6.692 4.370 1.00 0.00 H new ATOM 0 HG SER A 4 8.495 5.185 5.641 1.00 0.00 H new ATOM 59 N ASP A 5 10.173 7.472 5.090 1.00 0.00 N ATOM 60 CA ASP A 5 11.512 7.677 4.468 1.00 0.00 C ATOM 61 C ASP A 5 12.160 6.326 4.157 1.00 0.00 C ATOM 62 O ASP A 5 12.791 6.150 3.135 1.00 0.00 O ATOM 63 CB ASP A 5 12.324 8.436 5.518 1.00 0.00 C ATOM 64 CG ASP A 5 12.616 9.851 5.013 1.00 0.00 C ATOM 65 OD1 ASP A 5 12.813 10.003 3.819 1.00 0.00 O ATOM 66 OD2 ASP A 5 12.635 10.757 5.830 1.00 0.00 O ATOM 0 H ASP A 5 9.968 6.513 5.371 1.00 0.00 H new ATOM 0 HA ASP A 5 11.453 8.224 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.773 8.480 6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.257 7.911 5.721 1.00 0.00 H new ATOM 71 N ILE A 6 12.006 5.369 5.031 1.00 0.00 N ATOM 72 CA ILE A 6 12.610 4.029 4.784 1.00 0.00 C ATOM 73 C ILE A 6 11.521 3.024 4.399 1.00 0.00 C ATOM 74 O ILE A 6 11.518 1.894 4.845 1.00 0.00 O ATOM 75 CB ILE A 6 13.256 3.636 6.113 1.00 0.00 C ATOM 76 CG1 ILE A 6 14.320 4.670 6.486 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.911 2.260 5.977 1.00 0.00 C ATOM 78 CD1 ILE A 6 14.551 4.644 7.999 1.00 0.00 C ATOM 0 H ILE A 6 11.488 5.457 5.905 1.00 0.00 H new ATOM 0 HA ILE A 6 13.333 4.044 3.968 1.00 0.00 H new ATOM 0 HB ILE A 6 12.493 3.599 6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 6 15.251 4.454 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 6 14.001 5.664 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 6 14.371 1.981 6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.155 1.522 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.674 2.296 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 6 15.309 5.381 8.264 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.620 4.881 8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 6 14.889 3.652 8.298 1.00 0.00 H new ATOM 90 N SER A 7 10.596 3.426 3.572 1.00 0.00 N ATOM 91 CA SER A 7 9.512 2.493 3.162 1.00 0.00 C ATOM 92 C SER A 7 9.506 2.314 1.641 1.00 0.00 C ATOM 93 O SER A 7 8.532 1.873 1.063 1.00 0.00 O ATOM 94 CB SER A 7 8.218 3.159 3.631 1.00 0.00 C ATOM 95 OG SER A 7 8.431 3.753 4.905 1.00 0.00 O ATOM 0 H SER A 7 10.545 4.359 3.163 1.00 0.00 H new ATOM 0 HA SER A 7 9.640 1.500 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.903 3.916 2.912 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.417 2.422 3.690 1.00 0.00 H new ATOM 0 HG SER A 7 7.719 3.475 5.519 1.00 0.00 H new ATOM 101 N LYS A 8 10.585 2.648 0.985 1.00 0.00 N ATOM 102 CA LYS A 8 10.634 2.491 -0.496 1.00 0.00 C ATOM 103 C LYS A 8 10.912 1.031 -0.859 1.00 0.00 C ATOM 104 O LYS A 8 12.003 0.532 -0.674 1.00 0.00 O ATOM 105 CB LYS A 8 11.781 3.390 -0.956 1.00 0.00 C ATOM 106 CG LYS A 8 11.213 4.679 -1.554 1.00 0.00 C ATOM 107 CD LYS A 8 12.360 5.628 -1.911 1.00 0.00 C ATOM 108 CE LYS A 8 11.799 7.024 -2.197 1.00 0.00 C ATOM 109 NZ LYS A 8 11.882 7.744 -0.896 1.00 0.00 N ATOM 0 H LYS A 8 11.433 3.022 1.411 1.00 0.00 H new ATOM 0 HA LYS A 8 9.693 2.764 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.433 3.624 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.389 2.871 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.626 4.451 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.540 5.157 -0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.077 5.674 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.897 5.255 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.378 7.532 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.771 6.971 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.515 8.710 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.316 7.240 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.873 7.785 -0.584 1.00 0.00 H new ATOM 123 N THR A 9 9.928 0.343 -1.368 1.00 0.00 N ATOM 124 CA THR A 9 10.133 -1.085 -1.739 1.00 0.00 C ATOM 125 C THR A 9 9.055 -1.533 -2.730 1.00 0.00 C ATOM 126 O THR A 9 7.905 -1.700 -2.376 1.00 0.00 O ATOM 127 CB THR A 9 10.003 -1.853 -0.423 1.00 0.00 C ATOM 128 OG1 THR A 9 11.008 -1.412 0.480 1.00 0.00 O ATOM 129 CG2 THR A 9 10.174 -3.349 -0.686 1.00 0.00 C ATOM 0 H THR A 9 8.992 0.707 -1.543 1.00 0.00 H new ATOM 0 HA THR A 9 11.096 -1.255 -2.220 1.00 0.00 H new ATOM 0 HB THR A 9 9.019 -1.672 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.757 -1.031 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.081 -3.896 0.252 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.405 -3.687 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.158 -3.532 -1.117 1.00 0.00 H new ATOM 137 N CYS A 10 9.418 -1.732 -3.967 1.00 0.00 N ATOM 138 CA CYS A 10 8.412 -2.173 -4.975 1.00 0.00 C ATOM 139 C CYS A 10 7.776 -3.491 -4.527 1.00 0.00 C ATOM 140 O CYS A 10 8.045 -3.981 -3.448 1.00 0.00 O ATOM 141 CB CYS A 10 9.206 -2.348 -6.271 1.00 0.00 C ATOM 142 SG CYS A 10 10.007 -0.782 -6.692 1.00 0.00 S ATOM 0 H CYS A 10 10.366 -1.609 -4.323 1.00 0.00 H new ATOM 0 HA CYS A 10 7.597 -1.461 -5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.954 -3.132 -6.151 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.544 -2.660 -7.078 1.00 0.00 H new ATOM 147 N CYS A 11 6.924 -4.066 -5.332 1.00 0.00 N ATOM 148 CA CYS A 11 6.272 -5.343 -4.921 1.00 0.00 C ATOM 149 C CYS A 11 6.268 -6.355 -6.069 1.00 0.00 C ATOM 150 O CYS A 11 6.602 -6.041 -7.195 1.00 0.00 O ATOM 151 CB CYS A 11 4.842 -4.951 -4.554 1.00 0.00 C ATOM 152 SG CYS A 11 4.851 -4.036 -2.993 1.00 0.00 S ATOM 0 H CYS A 11 6.653 -3.711 -6.249 1.00 0.00 H new ATOM 0 HA CYS A 11 6.800 -5.818 -4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.407 -4.339 -5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.221 -5.842 -4.462 1.00 0.00 H new ATOM 157 N PHE A 12 5.885 -7.569 -5.783 1.00 0.00 N ATOM 158 CA PHE A 12 5.842 -8.618 -6.837 1.00 0.00 C ATOM 159 C PHE A 12 4.528 -9.396 -6.732 1.00 0.00 C ATOM 160 O PHE A 12 3.807 -9.554 -7.696 1.00 0.00 O ATOM 161 CB PHE A 12 7.032 -9.530 -6.540 1.00 0.00 C ATOM 162 CG PHE A 12 8.278 -8.965 -7.179 1.00 0.00 C ATOM 163 CD1 PHE A 12 8.334 -8.785 -8.566 1.00 0.00 C ATOM 164 CD2 PHE A 12 9.379 -8.626 -6.383 1.00 0.00 C ATOM 165 CE1 PHE A 12 9.491 -8.264 -9.157 1.00 0.00 C ATOM 166 CE2 PHE A 12 10.536 -8.105 -6.975 1.00 0.00 C ATOM 167 CZ PHE A 12 10.593 -7.925 -8.362 1.00 0.00 C ATOM 0 H PHE A 12 5.598 -7.880 -4.855 1.00 0.00 H new ATOM 0 HA PHE A 12 5.895 -8.204 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.173 -9.621 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.838 -10.532 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.485 -9.048 -9.180 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.336 -8.766 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.534 -8.123 -10.227 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.385 -7.842 -6.361 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.486 -7.525 -8.819 1.00 0.00 H new ATOM 177 N GLN A 13 4.210 -9.876 -5.560 1.00 0.00 N ATOM 178 CA GLN A 13 2.942 -10.634 -5.380 1.00 0.00 C ATOM 179 C GLN A 13 1.833 -9.683 -4.925 1.00 0.00 C ATOM 180 O GLN A 13 2.095 -8.641 -4.358 1.00 0.00 O ATOM 181 CB GLN A 13 3.244 -11.667 -4.294 1.00 0.00 C ATOM 182 CG GLN A 13 4.296 -12.653 -4.805 1.00 0.00 C ATOM 183 CD GLN A 13 4.338 -13.875 -3.884 1.00 0.00 C ATOM 184 OE1 GLN A 13 3.911 -14.948 -4.261 1.00 0.00 O ATOM 185 NE2 GLN A 13 4.840 -13.758 -2.686 1.00 0.00 N ATOM 0 H GLN A 13 4.777 -9.775 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 13 2.604 -11.107 -6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.604 -11.169 -3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.333 -12.200 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.058 -12.960 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.275 -12.174 -4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.199 -12.857 -2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.874 -14.567 -2.066 1.00 0.00 H new ATOM 194 N TYR A 14 0.598 -10.025 -5.169 1.00 0.00 N ATOM 195 CA TYR A 14 -0.514 -9.127 -4.749 1.00 0.00 C ATOM 196 C TYR A 14 -1.673 -9.949 -4.176 1.00 0.00 C ATOM 197 O TYR A 14 -2.229 -10.803 -4.838 1.00 0.00 O ATOM 198 CB TYR A 14 -0.948 -8.400 -6.028 1.00 0.00 C ATOM 199 CG TYR A 14 0.255 -7.764 -6.687 1.00 0.00 C ATOM 200 CD1 TYR A 14 1.021 -6.821 -5.991 1.00 0.00 C ATOM 201 CD2 TYR A 14 0.607 -8.122 -7.995 1.00 0.00 C ATOM 202 CE1 TYR A 14 2.136 -6.236 -6.601 1.00 0.00 C ATOM 203 CE2 TYR A 14 1.723 -7.537 -8.605 1.00 0.00 C ATOM 204 CZ TYR A 14 2.488 -6.594 -7.909 1.00 0.00 C ATOM 205 OH TYR A 14 3.588 -6.017 -8.511 1.00 0.00 O ATOM 0 H TYR A 14 0.312 -10.884 -5.639 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.207 -8.429 -3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.421 -9.102 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.690 -7.638 -5.790 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.751 -6.545 -4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.017 -8.850 -8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.726 -5.508 -6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.994 -7.814 -9.613 1.00 0.00 H new ATOM 0 HH TYR A 14 4.396 -6.252 -8.009 1.00 0.00 H new ATOM 215 N SER A 15 -2.039 -9.697 -2.949 1.00 0.00 N ATOM 216 CA SER A 15 -3.159 -10.462 -2.332 1.00 0.00 C ATOM 217 C SER A 15 -4.492 -9.755 -2.586 1.00 0.00 C ATOM 218 O SER A 15 -4.612 -8.556 -2.421 1.00 0.00 O ATOM 219 CB SER A 15 -2.846 -10.488 -0.837 1.00 0.00 C ATOM 220 OG SER A 15 -2.189 -11.708 -0.515 1.00 0.00 O ATOM 0 H SER A 15 -1.610 -8.994 -2.347 1.00 0.00 H new ATOM 0 HA SER A 15 -3.248 -11.465 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.214 -9.640 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.766 -10.394 -0.260 1.00 0.00 H new ATOM 0 HG SER A 15 -1.985 -11.727 0.443 1.00 0.00 H new ATOM 226 N HIS A 16 -5.496 -10.487 -2.983 1.00 0.00 N ATOM 227 CA HIS A 16 -6.823 -9.858 -3.243 1.00 0.00 C ATOM 228 C HIS A 16 -7.820 -10.276 -2.159 1.00 0.00 C ATOM 229 O HIS A 16 -8.714 -11.065 -2.395 1.00 0.00 O ATOM 230 CB HIS A 16 -7.257 -10.395 -4.608 1.00 0.00 C ATOM 231 CG HIS A 16 -6.259 -9.979 -5.654 1.00 0.00 C ATOM 232 ND1 HIS A 16 -5.736 -8.697 -5.708 1.00 0.00 N ATOM 233 CD2 HIS A 16 -5.679 -10.665 -6.692 1.00 0.00 C ATOM 234 CE1 HIS A 16 -4.882 -8.651 -6.747 1.00 0.00 C ATOM 235 NE2 HIS A 16 -4.810 -9.824 -7.381 1.00 0.00 N ATOM 0 H HIS A 16 -5.456 -11.494 -3.139 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.776 -8.769 -3.233 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.333 -11.482 -4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.246 -10.014 -4.862 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.868 -11.700 -6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.323 -7.772 -7.033 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.240 -10.054 -8.195 1.00 0.00 H new ATOM 243 N LYS A 17 -7.671 -9.757 -0.971 1.00 0.00 N ATOM 244 CA LYS A 17 -8.604 -10.129 0.128 1.00 0.00 C ATOM 245 C LYS A 17 -8.930 -8.900 0.989 1.00 0.00 C ATOM 246 O LYS A 17 -8.101 -8.028 1.156 1.00 0.00 O ATOM 247 CB LYS A 17 -7.847 -11.173 0.950 1.00 0.00 C ATOM 248 CG LYS A 17 -8.728 -12.410 1.146 1.00 0.00 C ATOM 249 CD LYS A 17 -8.653 -12.861 2.606 1.00 0.00 C ATOM 250 CE LYS A 17 -9.930 -13.619 2.974 1.00 0.00 C ATOM 251 NZ LYS A 17 -9.864 -13.784 4.453 1.00 0.00 N ATOM 0 H LYS A 17 -6.942 -9.091 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.553 -10.512 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.922 -11.449 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.568 -10.756 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.759 -12.182 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.397 -13.214 0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.783 -13.500 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.530 -11.997 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.819 -13.063 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.976 -14.585 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.707 -14.296 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.011 -14.323 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.828 -12.848 4.905 1.00 0.00 H new ATOM 265 N PRO A 18 -10.133 -8.871 1.510 1.00 0.00 N ATOM 266 CA PRO A 18 -10.561 -7.733 2.360 1.00 0.00 C ATOM 267 C PRO A 18 -9.943 -7.850 3.756 1.00 0.00 C ATOM 268 O PRO A 18 -10.412 -8.597 4.592 1.00 0.00 O ATOM 269 CB PRO A 18 -12.077 -7.882 2.425 1.00 0.00 C ATOM 270 CG PRO A 18 -12.342 -9.336 2.179 1.00 0.00 C ATOM 271 CD PRO A 18 -11.196 -9.876 1.358 1.00 0.00 C ATOM 0 HA PRO A 18 -10.250 -6.765 1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.462 -7.571 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.566 -7.261 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.424 -9.875 3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.287 -9.469 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.874 -10.853 1.719 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.479 -10.000 0.313 1.00 0.00 H new ATOM 279 N LEU A 19 -8.898 -7.113 4.015 1.00 0.00 N ATOM 280 CA LEU A 19 -8.255 -7.180 5.358 1.00 0.00 C ATOM 281 C LEU A 19 -9.175 -6.549 6.409 1.00 0.00 C ATOM 282 O LEU A 19 -9.916 -5.634 6.107 1.00 0.00 O ATOM 283 CB LEU A 19 -6.969 -6.361 5.216 1.00 0.00 C ATOM 284 CG LEU A 19 -5.798 -7.119 5.842 1.00 0.00 C ATOM 285 CD1 LEU A 19 -4.596 -7.070 4.897 1.00 0.00 C ATOM 286 CD2 LEU A 19 -5.424 -6.465 7.174 1.00 0.00 C ATOM 0 H LEU A 19 -8.462 -6.468 3.356 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.057 -8.204 5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.766 -6.166 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.088 -5.393 5.702 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.085 -8.157 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.761 -7.610 5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.861 -7.532 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.308 -6.032 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.589 -7.004 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.136 -5.428 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.280 -6.497 7.848 1.00 0.00 H new ATOM 298 N PRO A 20 -9.098 -7.052 7.616 1.00 0.00 N ATOM 299 CA PRO A 20 -9.941 -6.510 8.711 1.00 0.00 C ATOM 300 C PRO A 20 -9.473 -5.098 9.071 1.00 0.00 C ATOM 301 O PRO A 20 -8.410 -4.913 9.626 1.00 0.00 O ATOM 302 CB PRO A 20 -9.706 -7.487 9.862 1.00 0.00 C ATOM 303 CG PRO A 20 -8.374 -8.100 9.577 1.00 0.00 C ATOM 304 CD PRO A 20 -8.237 -8.149 8.078 1.00 0.00 C ATOM 0 HA PRO A 20 -10.997 -6.426 8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.707 -6.973 10.823 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.489 -8.244 9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.572 -7.509 10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.308 -9.100 10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.203 -8.006 7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.561 -9.109 7.677 1.00 0.00 H new ATOM 312 N TRP A 21 -10.257 -4.106 8.737 1.00 0.00 N ATOM 313 CA TRP A 21 -9.870 -2.690 9.030 1.00 0.00 C ATOM 314 C TRP A 21 -9.295 -2.546 10.441 1.00 0.00 C ATOM 315 O TRP A 21 -8.443 -1.716 10.690 1.00 0.00 O ATOM 316 CB TRP A 21 -11.170 -1.901 8.894 1.00 0.00 C ATOM 317 CG TRP A 21 -11.604 -1.936 7.467 1.00 0.00 C ATOM 318 CD1 TRP A 21 -12.508 -2.800 6.951 1.00 0.00 C ATOM 319 CD2 TRP A 21 -11.158 -1.098 6.364 1.00 0.00 C ATOM 320 NE1 TRP A 21 -12.647 -2.543 5.599 1.00 0.00 N ATOM 321 CE2 TRP A 21 -11.837 -1.502 5.190 1.00 0.00 C ATOM 322 CE3 TRP A 21 -10.242 -0.036 6.270 1.00 0.00 C ATOM 323 CZ2 TRP A 21 -11.611 -0.875 3.966 1.00 0.00 C ATOM 324 CZ3 TRP A 21 -10.013 0.597 5.038 1.00 0.00 C ATOM 325 CH2 TRP A 21 -10.697 0.179 3.889 1.00 0.00 C ATOM 0 H TRP A 21 -11.157 -4.216 8.270 1.00 0.00 H new ATOM 0 HA TRP A 21 -9.092 -2.335 8.355 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -11.941 -2.330 9.534 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -11.023 -0.871 9.219 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -13.034 -3.564 7.503 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -13.272 -3.059 4.980 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -9.711 0.295 7.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -12.139 -1.202 3.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -9.306 1.411 4.976 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -10.518 0.671 2.944 1.00 0.00 H new ATOM 336 N THR A 22 -9.741 -3.348 11.362 1.00 0.00 N ATOM 337 CA THR A 22 -9.203 -3.251 12.746 1.00 0.00 C ATOM 338 C THR A 22 -7.681 -3.402 12.723 1.00 0.00 C ATOM 339 O THR A 22 -6.977 -2.863 13.554 1.00 0.00 O ATOM 340 CB THR A 22 -9.841 -4.414 13.501 1.00 0.00 C ATOM 341 OG1 THR A 22 -9.984 -5.524 12.626 1.00 0.00 O ATOM 342 CG2 THR A 22 -11.214 -3.993 14.026 1.00 0.00 C ATOM 0 H THR A 22 -10.452 -4.065 11.219 1.00 0.00 H new ATOM 0 HA THR A 22 -9.426 -2.292 13.213 1.00 0.00 H new ATOM 0 HB THR A 22 -9.205 -4.694 14.341 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.178 -6.080 12.668 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.668 -4.825 14.565 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.101 -3.143 14.699 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.853 -3.711 13.189 1.00 0.00 H new ATOM 350 N TRP A 23 -7.172 -4.140 11.773 1.00 0.00 N ATOM 351 CA TRP A 23 -5.700 -4.340 11.687 1.00 0.00 C ATOM 352 C TRP A 23 -5.101 -3.502 10.550 1.00 0.00 C ATOM 353 O TRP A 23 -3.912 -3.539 10.311 1.00 0.00 O ATOM 354 CB TRP A 23 -5.526 -5.833 11.402 1.00 0.00 C ATOM 355 CG TRP A 23 -5.260 -6.572 12.680 1.00 0.00 C ATOM 356 CD1 TRP A 23 -5.693 -6.197 13.909 1.00 0.00 C ATOM 357 CD2 TRP A 23 -4.513 -7.808 12.872 1.00 0.00 C ATOM 358 NE1 TRP A 23 -5.256 -7.122 14.838 1.00 0.00 N ATOM 359 CE2 TRP A 23 -4.525 -8.135 14.248 1.00 0.00 C ATOM 360 CE3 TRP A 23 -3.833 -8.669 11.992 1.00 0.00 C ATOM 361 CZ2 TRP A 23 -3.884 -9.275 14.736 1.00 0.00 C ATOM 362 CZ3 TRP A 23 -3.188 -9.818 12.479 1.00 0.00 C ATOM 363 CH2 TRP A 23 -3.213 -10.120 13.848 1.00 0.00 C ATOM 0 H TRP A 23 -7.716 -4.614 11.052 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.191 -4.030 12.600 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -6.423 -6.227 10.924 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -4.701 -5.985 10.706 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -6.283 -5.319 14.126 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.450 -7.064 15.838 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.807 -8.445 10.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -3.906 -9.502 15.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.670 -10.473 11.794 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -2.714 -11.005 14.216 1.00 0.00 H new ATOM 374 N VAL A 24 -5.900 -2.743 9.846 1.00 0.00 N ATOM 375 CA VAL A 24 -5.335 -1.914 8.738 1.00 0.00 C ATOM 376 C VAL A 24 -4.891 -0.555 9.287 1.00 0.00 C ATOM 377 O VAL A 24 -5.411 -0.082 10.278 1.00 0.00 O ATOM 378 CB VAL A 24 -6.459 -1.748 7.713 1.00 0.00 C ATOM 379 CG1 VAL A 24 -5.883 -1.123 6.442 1.00 0.00 C ATOM 380 CG2 VAL A 24 -7.053 -3.116 7.371 1.00 0.00 C ATOM 0 H VAL A 24 -6.907 -2.661 9.987 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.463 -2.382 8.282 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.238 -1.108 8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.677 -1.001 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.453 -0.149 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.108 -1.773 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.853 -2.993 6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.276 -3.756 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.454 -3.575 8.275 1.00 0.00 H new ATOM 390 N ARG A 25 -3.925 0.075 8.668 1.00 0.00 N ATOM 391 CA ARG A 25 -3.458 1.392 9.194 1.00 0.00 C ATOM 392 C ARG A 25 -3.165 2.390 8.065 1.00 0.00 C ATOM 393 O ARG A 25 -3.653 3.502 8.079 1.00 0.00 O ATOM 394 CB ARG A 25 -2.179 1.073 9.965 1.00 0.00 C ATOM 395 CG ARG A 25 -1.921 2.170 10.999 1.00 0.00 C ATOM 396 CD ARG A 25 -0.488 2.683 10.853 1.00 0.00 C ATOM 397 NE ARG A 25 0.042 2.736 12.244 1.00 0.00 N ATOM 398 CZ ARG A 25 1.258 2.334 12.493 1.00 0.00 C ATOM 399 NH1 ARG A 25 1.560 1.069 12.394 1.00 0.00 N ATOM 400 NH2 ARG A 25 2.172 3.199 12.842 1.00 0.00 N ATOM 0 H ARG A 25 -3.445 -0.260 7.833 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.221 1.862 9.815 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.271 0.106 10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.336 1.000 9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.627 2.989 10.860 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.078 1.780 12.005 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.108 2.018 10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.466 3.667 10.384 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.545 3.086 13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.845 0.394 12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.511 0.755 12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.935 4.188 12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.123 2.886 13.037 1.00 0.00 H new ATOM 414 N SER A 26 -2.364 2.023 7.098 1.00 0.00 N ATOM 415 CA SER A 26 -2.051 2.990 6.002 1.00 0.00 C ATOM 416 C SER A 26 -1.716 2.265 4.697 1.00 0.00 C ATOM 417 O SER A 26 -2.034 1.106 4.515 1.00 0.00 O ATOM 418 CB SER A 26 -0.834 3.768 6.499 1.00 0.00 C ATOM 419 OG SER A 26 0.275 2.885 6.611 1.00 0.00 O ATOM 0 H SER A 26 -1.918 1.109 7.019 1.00 0.00 H new ATOM 0 HA SER A 26 -2.902 3.635 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.600 4.579 5.809 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.049 4.224 7.465 1.00 0.00 H new ATOM 0 HG SER A 26 1.058 3.382 6.928 1.00 0.00 H new ATOM 425 N TYR A 27 -1.076 2.949 3.787 1.00 0.00 N ATOM 426 CA TYR A 27 -0.714 2.318 2.486 1.00 0.00 C ATOM 427 C TYR A 27 0.445 3.089 1.829 1.00 0.00 C ATOM 428 O TYR A 27 0.976 4.025 2.392 1.00 0.00 O ATOM 429 CB TYR A 27 -2.004 2.390 1.643 1.00 0.00 C ATOM 430 CG TYR A 27 -2.122 3.732 0.949 1.00 0.00 C ATOM 431 CD1 TYR A 27 -1.500 3.933 -0.289 1.00 0.00 C ATOM 432 CD2 TYR A 27 -2.842 4.770 1.547 1.00 0.00 C ATOM 433 CE1 TYR A 27 -1.599 5.173 -0.929 1.00 0.00 C ATOM 434 CE2 TYR A 27 -2.943 6.011 0.909 1.00 0.00 C ATOM 435 CZ TYR A 27 -2.321 6.213 -0.330 1.00 0.00 C ATOM 436 OH TYR A 27 -2.420 7.438 -0.959 1.00 0.00 O ATOM 0 H TYR A 27 -0.787 3.922 3.890 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.369 1.290 2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.004 1.591 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.871 2.230 2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.944 3.130 -0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.321 4.614 2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.119 5.328 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.500 6.813 1.371 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.956 8.046 -0.408 1.00 0.00 H new ATOM 446 N GLU A 28 0.826 2.710 0.639 1.00 0.00 N ATOM 447 CA GLU A 28 1.936 3.430 -0.061 1.00 0.00 C ATOM 448 C GLU A 28 2.203 2.789 -1.428 1.00 0.00 C ATOM 449 O GLU A 28 2.191 1.585 -1.572 1.00 0.00 O ATOM 450 CB GLU A 28 3.172 3.308 0.850 1.00 0.00 C ATOM 451 CG GLU A 28 3.298 1.880 1.394 1.00 0.00 C ATOM 452 CD GLU A 28 4.773 1.476 1.436 1.00 0.00 C ATOM 453 OE1 GLU A 28 5.586 2.313 1.792 1.00 0.00 O ATOM 454 OE2 GLU A 28 5.065 0.338 1.111 1.00 0.00 O ATOM 0 H GLU A 28 0.418 1.933 0.119 1.00 0.00 H new ATOM 0 HA GLU A 28 1.685 4.475 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.070 3.572 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.093 4.013 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.866 1.821 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.739 1.189 0.763 1.00 0.00 H new ATOM 461 N PHE A 29 2.439 3.589 -2.434 1.00 0.00 N ATOM 462 CA PHE A 29 2.701 3.025 -3.790 1.00 0.00 C ATOM 463 C PHE A 29 4.152 2.549 -3.898 1.00 0.00 C ATOM 464 O PHE A 29 4.958 2.780 -3.019 1.00 0.00 O ATOM 465 CB PHE A 29 2.446 4.183 -4.756 1.00 0.00 C ATOM 466 CG PHE A 29 1.417 3.769 -5.782 1.00 0.00 C ATOM 467 CD1 PHE A 29 1.809 3.044 -6.914 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.072 4.112 -5.602 1.00 0.00 C ATOM 469 CE1 PHE A 29 0.855 2.661 -7.865 1.00 0.00 C ATOM 470 CE2 PHE A 29 -0.883 3.730 -6.553 1.00 0.00 C ATOM 471 CZ PHE A 29 -0.490 3.003 -7.686 1.00 0.00 C ATOM 0 H PHE A 29 2.462 4.607 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 29 2.069 2.164 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.096 5.057 -4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.374 4.468 -5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.847 2.780 -7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.230 4.672 -4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.158 2.101 -8.737 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.921 3.995 -6.414 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.225 2.707 -8.420 1.00 0.00 H new ATOM 481 N THR A 30 4.488 1.884 -4.970 1.00 0.00 N ATOM 482 CA THR A 30 5.885 1.394 -5.137 1.00 0.00 C ATOM 483 C THR A 30 6.715 2.417 -5.916 1.00 0.00 C ATOM 484 O THR A 30 6.190 3.360 -6.476 1.00 0.00 O ATOM 485 CB THR A 30 5.756 0.093 -5.933 1.00 0.00 C ATOM 486 OG1 THR A 30 4.833 0.281 -6.996 1.00 0.00 O ATOM 487 CG2 THR A 30 5.259 -1.025 -5.013 1.00 0.00 C ATOM 0 H THR A 30 3.855 1.659 -5.737 1.00 0.00 H new ATOM 0 HA THR A 30 6.385 1.240 -4.181 1.00 0.00 H new ATOM 0 HB THR A 30 6.729 -0.182 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.919 0.265 -6.642 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.168 -1.950 -5.582 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.969 -1.168 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.286 -0.754 -4.603 1.00 0.00 H new ATOM 495 N SER A 31 8.006 2.239 -5.958 1.00 0.00 N ATOM 496 CA SER A 31 8.868 3.202 -6.705 1.00 0.00 C ATOM 497 C SER A 31 8.642 3.052 -8.212 1.00 0.00 C ATOM 498 O SER A 31 8.339 1.982 -8.701 1.00 0.00 O ATOM 499 CB SER A 31 10.301 2.820 -6.336 1.00 0.00 C ATOM 500 OG SER A 31 11.167 3.908 -6.631 1.00 0.00 O ATOM 0 H SER A 31 8.503 1.470 -5.508 1.00 0.00 H new ATOM 0 HA SER A 31 8.646 4.239 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.362 2.569 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.608 1.934 -6.892 1.00 0.00 H new ATOM 0 HG SER A 31 12.087 3.667 -6.394 1.00 0.00 H new ATOM 506 N ASN A 32 8.786 4.117 -8.953 1.00 0.00 N ATOM 507 CA ASN A 32 8.578 4.034 -10.427 1.00 0.00 C ATOM 508 C ASN A 32 9.866 3.576 -11.120 1.00 0.00 C ATOM 509 O ASN A 32 10.444 4.293 -11.912 1.00 0.00 O ATOM 510 CB ASN A 32 8.213 5.455 -10.858 1.00 0.00 C ATOM 511 CG ASN A 32 6.699 5.556 -11.053 1.00 0.00 C ATOM 512 OD1 ASN A 32 5.942 4.881 -10.382 1.00 0.00 O ATOM 513 ND2 ASN A 32 6.222 6.376 -11.949 1.00 0.00 N ATOM 0 H ASN A 32 9.039 5.041 -8.602 1.00 0.00 H new ATOM 0 HA ASN A 32 7.802 3.316 -10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.542 6.171 -10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.727 5.709 -11.785 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.214 6.451 -12.087 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.857 6.942 -12.512 1.00 0.00 H new ATOM 520 N SER A 33 10.317 2.387 -10.826 1.00 0.00 N ATOM 521 CA SER A 33 11.567 1.882 -11.466 1.00 0.00 C ATOM 522 C SER A 33 11.826 0.433 -11.045 1.00 0.00 C ATOM 523 O SER A 33 12.905 0.086 -10.611 1.00 0.00 O ATOM 524 CB SER A 33 12.675 2.797 -10.947 1.00 0.00 C ATOM 525 OG SER A 33 12.722 2.719 -9.528 1.00 0.00 O ATOM 0 H SER A 33 9.875 1.743 -10.170 1.00 0.00 H new ATOM 0 HA SER A 33 11.508 1.892 -12.554 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.635 2.502 -11.371 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.491 3.825 -11.260 1.00 0.00 H new ATOM 0 HG SER A 33 13.433 3.304 -9.192 1.00 0.00 H new ATOM 531 N CYS A 34 10.840 -0.415 -11.168 1.00 0.00 N ATOM 532 CA CYS A 34 11.027 -1.841 -10.771 1.00 0.00 C ATOM 533 C CYS A 34 10.425 -2.772 -11.826 1.00 0.00 C ATOM 534 O CYS A 34 9.771 -2.336 -12.753 1.00 0.00 O ATOM 535 CB CYS A 34 10.289 -1.975 -9.445 1.00 0.00 C ATOM 536 SG CYS A 34 11.324 -1.289 -8.130 1.00 0.00 S ATOM 0 H CYS A 34 9.914 -0.182 -11.526 1.00 0.00 H new ATOM 0 HA CYS A 34 12.079 -2.113 -10.682 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.336 -1.448 -9.489 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.065 -3.022 -9.242 1.00 0.00 H new ATOM 541 N SER A 35 10.647 -4.051 -11.697 1.00 0.00 N ATOM 542 CA SER A 35 10.095 -5.012 -12.696 1.00 0.00 C ATOM 543 C SER A 35 8.587 -4.807 -12.865 1.00 0.00 C ATOM 544 O SER A 35 8.051 -4.951 -13.945 1.00 0.00 O ATOM 545 CB SER A 35 10.384 -6.395 -12.114 1.00 0.00 C ATOM 546 OG SER A 35 10.904 -7.235 -13.135 1.00 0.00 O ATOM 0 H SER A 35 11.187 -4.474 -10.942 1.00 0.00 H new ATOM 0 HA SER A 35 10.541 -4.879 -13.681 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.098 -6.315 -11.294 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.472 -6.826 -11.702 1.00 0.00 H new ATOM 0 HG SER A 35 11.092 -8.122 -12.764 1.00 0.00 H new ATOM 552 N GLN A 36 7.896 -4.476 -11.807 1.00 0.00 N ATOM 553 CA GLN A 36 6.422 -4.272 -11.920 1.00 0.00 C ATOM 554 C GLN A 36 5.927 -3.314 -10.832 1.00 0.00 C ATOM 555 O GLN A 36 6.058 -3.577 -9.654 1.00 0.00 O ATOM 556 CB GLN A 36 5.817 -5.662 -11.721 1.00 0.00 C ATOM 557 CG GLN A 36 4.810 -5.948 -12.837 1.00 0.00 C ATOM 558 CD GLN A 36 3.501 -5.212 -12.544 1.00 0.00 C ATOM 559 OE1 GLN A 36 3.509 -4.135 -11.983 1.00 0.00 O ATOM 560 NE2 GLN A 36 2.369 -5.752 -12.903 1.00 0.00 N ATOM 0 H GLN A 36 8.285 -4.339 -10.874 1.00 0.00 H new ATOM 0 HA GLN A 36 6.141 -3.833 -12.877 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.604 -6.416 -11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.325 -5.720 -10.750 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.214 -5.626 -13.797 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.628 -7.020 -12.911 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.362 -6.657 -13.374 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.491 -5.270 -12.712 1.00 0.00 H new ATOM 569 N ARG A 37 5.354 -2.206 -11.219 1.00 0.00 N ATOM 570 CA ARG A 37 4.844 -1.238 -10.205 1.00 0.00 C ATOM 571 C ARG A 37 3.621 -1.826 -9.496 1.00 0.00 C ATOM 572 O ARG A 37 2.976 -2.724 -9.999 1.00 0.00 O ATOM 573 CB ARG A 37 4.456 0.007 -11.004 1.00 0.00 C ATOM 574 CG ARG A 37 5.674 0.923 -11.148 1.00 0.00 C ATOM 575 CD ARG A 37 5.347 2.056 -12.123 1.00 0.00 C ATOM 576 NE ARG A 37 5.971 1.645 -13.411 1.00 0.00 N ATOM 577 CZ ARG A 37 5.244 1.562 -14.492 1.00 0.00 C ATOM 578 NH1 ARG A 37 4.719 2.639 -15.009 1.00 0.00 N ATOM 579 NH2 ARG A 37 5.041 0.403 -15.054 1.00 0.00 N ATOM 0 H ARG A 37 5.217 -1.930 -12.191 1.00 0.00 H new ATOM 0 HA ARG A 37 5.583 -1.010 -9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.086 -0.280 -11.988 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.647 0.537 -10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.951 1.333 -10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.530 0.353 -11.509 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.270 2.187 -12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.751 3.006 -11.774 1.00 0.00 H new ATOM 0 HE ARG A 37 6.967 1.428 -13.449 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.877 3.545 -14.568 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.151 2.575 -15.854 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.450 -0.439 -14.649 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.473 0.338 -15.899 1.00 0.00 H new ATOM 593 N ALA A 38 3.295 -1.331 -8.333 1.00 0.00 N ATOM 594 CA ALA A 38 2.112 -1.873 -7.606 1.00 0.00 C ATOM 595 C ALA A 38 1.757 -0.986 -6.410 1.00 0.00 C ATOM 596 O ALA A 38 2.354 0.049 -6.188 1.00 0.00 O ATOM 597 CB ALA A 38 2.544 -3.261 -7.128 1.00 0.00 C ATOM 0 H ALA A 38 3.793 -0.579 -7.857 1.00 0.00 H new ATOM 0 HA ALA A 38 1.227 -1.911 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.725 -3.729 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.805 -3.877 -7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.410 -3.167 -6.473 1.00 0.00 H new ATOM 603 N VAL A 39 0.790 -1.397 -5.636 1.00 0.00 N ATOM 604 CA VAL A 39 0.383 -0.597 -4.444 1.00 0.00 C ATOM 605 C VAL A 39 0.564 -1.439 -3.181 1.00 0.00 C ATOM 606 O VAL A 39 0.699 -2.642 -3.244 1.00 0.00 O ATOM 607 CB VAL A 39 -1.094 -0.278 -4.673 1.00 0.00 C ATOM 608 CG1 VAL A 39 -1.657 0.446 -3.450 1.00 0.00 C ATOM 609 CG2 VAL A 39 -1.232 0.621 -5.903 1.00 0.00 C ATOM 0 H VAL A 39 0.261 -2.257 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 39 0.976 0.309 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.646 -1.204 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.710 0.673 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.556 -0.191 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.107 1.373 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.284 0.851 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.680 1.547 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.830 0.107 -6.776 1.00 0.00 H new ATOM 619 N ILE A 40 0.575 -0.820 -2.037 1.00 0.00 N ATOM 620 CA ILE A 40 0.754 -1.594 -0.779 1.00 0.00 C ATOM 621 C ILE A 40 -0.241 -1.104 0.280 1.00 0.00 C ATOM 622 O ILE A 40 -0.786 -0.024 0.182 1.00 0.00 O ATOM 623 CB ILE A 40 2.202 -1.314 -0.361 1.00 0.00 C ATOM 624 CG1 ILE A 40 3.152 -2.071 -1.291 1.00 0.00 C ATOM 625 CG2 ILE A 40 2.436 -1.768 1.081 1.00 0.00 C ATOM 626 CD1 ILE A 40 4.433 -1.255 -1.486 1.00 0.00 C ATOM 0 H ILE A 40 0.468 0.187 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 40 0.571 -2.661 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 40 2.390 -0.242 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.391 -3.047 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.671 -2.249 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.468 -1.563 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.763 -1.227 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.243 -2.838 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.110 -1.794 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.186 -0.289 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.916 -1.100 -0.521 1.00 0.00 H new ATOM 638 N PHE A 41 -0.465 -1.890 1.294 1.00 0.00 N ATOM 639 CA PHE A 41 -1.407 -1.485 2.375 1.00 0.00 C ATOM 640 C PHE A 41 -0.819 -1.936 3.713 1.00 0.00 C ATOM 641 O PHE A 41 -0.530 -3.100 3.907 1.00 0.00 O ATOM 642 CB PHE A 41 -2.715 -2.222 2.066 1.00 0.00 C ATOM 643 CG PHE A 41 -3.395 -1.564 0.885 1.00 0.00 C ATOM 644 CD1 PHE A 41 -3.657 -0.188 0.908 1.00 0.00 C ATOM 645 CD2 PHE A 41 -3.759 -2.326 -0.234 1.00 0.00 C ATOM 646 CE1 PHE A 41 -4.282 0.425 -0.185 1.00 0.00 C ATOM 647 CE2 PHE A 41 -4.385 -1.711 -1.327 1.00 0.00 C ATOM 648 CZ PHE A 41 -4.646 -0.336 -1.301 1.00 0.00 C ATOM 0 H PHE A 41 -0.032 -2.805 1.422 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.575 -0.409 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.512 -3.270 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.371 -2.201 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.377 0.400 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.557 -3.387 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.483 1.486 -0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.666 -2.298 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.129 0.138 -2.143 1.00 0.00 H new ATOM 658 N THR A 42 -0.599 -1.028 4.623 1.00 0.00 N ATOM 659 CA THR A 42 0.017 -1.426 5.920 1.00 0.00 C ATOM 660 C THR A 42 -1.035 -1.710 6.992 1.00 0.00 C ATOM 661 O THR A 42 -2.129 -1.178 6.972 1.00 0.00 O ATOM 662 CB THR A 42 0.894 -0.240 6.320 1.00 0.00 C ATOM 663 OG1 THR A 42 1.431 0.368 5.152 1.00 0.00 O ATOM 664 CG2 THR A 42 2.032 -0.730 7.209 1.00 0.00 C ATOM 0 H THR A 42 -0.817 -0.036 4.527 1.00 0.00 H new ATOM 0 HA THR A 42 0.586 -2.350 5.820 1.00 0.00 H new ATOM 0 HB THR A 42 0.295 0.490 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.270 1.334 5.182 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.659 0.114 7.496 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.620 -1.196 8.104 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.632 -1.459 6.664 1.00 0.00 H new ATOM 672 N THR A 43 -0.696 -2.556 7.929 1.00 0.00 N ATOM 673 CA THR A 43 -1.649 -2.904 9.018 1.00 0.00 C ATOM 674 C THR A 43 -1.320 -2.114 10.288 1.00 0.00 C ATOM 675 O THR A 43 -0.547 -1.176 10.266 1.00 0.00 O ATOM 676 CB THR A 43 -1.444 -4.403 9.251 1.00 0.00 C ATOM 677 OG1 THR A 43 -0.117 -4.630 9.707 1.00 0.00 O ATOM 678 CG2 THR A 43 -1.671 -5.158 7.941 1.00 0.00 C ATOM 0 H THR A 43 0.209 -3.024 7.985 1.00 0.00 H new ATOM 0 HA THR A 43 -2.680 -2.665 8.758 1.00 0.00 H new ATOM 0 HB THR A 43 -2.152 -4.757 10.000 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.017 -5.589 9.859 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.525 -6.225 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.688 -4.981 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.962 -4.807 7.191 1.00 0.00 H new ATOM 686 N LYS A 44 -1.903 -2.485 11.395 1.00 0.00 N ATOM 687 CA LYS A 44 -1.631 -1.757 12.667 1.00 0.00 C ATOM 688 C LYS A 44 -0.371 -2.307 13.348 1.00 0.00 C ATOM 689 O LYS A 44 0.131 -1.732 14.294 1.00 0.00 O ATOM 690 CB LYS A 44 -2.864 -2.015 13.536 1.00 0.00 C ATOM 691 CG LYS A 44 -3.934 -0.967 13.224 1.00 0.00 C ATOM 692 CD LYS A 44 -3.810 0.196 14.209 1.00 0.00 C ATOM 693 CE LYS A 44 -4.853 1.264 13.876 1.00 0.00 C ATOM 694 NZ LYS A 44 -4.363 2.501 14.543 1.00 0.00 N ATOM 0 H LYS A 44 -2.558 -3.263 11.474 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.456 -0.694 12.501 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.253 -3.015 13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.594 -1.972 14.591 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.818 -0.606 12.202 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.926 -1.413 13.294 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.953 -0.161 15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.808 0.623 14.159 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.943 1.405 12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.839 0.981 14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.027 3.280 14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.294 2.339 15.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.426 2.750 14.168 1.00 0.00 H new ATOM 708 N ARG A 45 0.143 -3.414 12.883 1.00 0.00 N ATOM 709 CA ARG A 45 1.367 -3.989 13.516 1.00 0.00 C ATOM 710 C ARG A 45 2.623 -3.452 12.824 1.00 0.00 C ATOM 711 O ARG A 45 3.705 -3.474 13.380 1.00 0.00 O ATOM 712 CB ARG A 45 1.245 -5.500 13.313 1.00 0.00 C ATOM 713 CG ARG A 45 0.933 -6.172 14.653 1.00 0.00 C ATOM 714 CD ARG A 45 2.234 -6.659 15.296 1.00 0.00 C ATOM 715 NE ARG A 45 2.474 -8.006 14.706 1.00 0.00 N ATOM 716 CZ ARG A 45 2.022 -9.073 15.307 1.00 0.00 C ATOM 717 NH1 ARG A 45 2.717 -9.630 16.262 1.00 0.00 N ATOM 718 NH2 ARG A 45 0.876 -9.585 14.953 1.00 0.00 N ATOM 0 H ARG A 45 -0.229 -3.944 12.095 1.00 0.00 H new ATOM 0 HA ARG A 45 1.450 -3.725 14.570 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.457 -5.718 12.592 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.172 -5.898 12.902 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.429 -5.469 15.316 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.254 -7.011 14.502 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.059 -5.981 15.080 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.142 -6.714 16.381 1.00 0.00 H new ATOM 0 HE ARG A 45 2.992 -8.094 13.832 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.614 -9.231 16.539 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.363 -10.464 16.731 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.333 -9.152 14.206 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.523 -10.419 15.423 1.00 0.00 H new ATOM 732 N GLY A 46 2.492 -2.971 11.618 1.00 0.00 N ATOM 733 CA GLY A 46 3.682 -2.435 10.897 1.00 0.00 C ATOM 734 C GLY A 46 3.983 -3.293 9.661 1.00 0.00 C ATOM 735 O GLY A 46 4.884 -2.997 8.901 1.00 0.00 O ATOM 0 H GLY A 46 1.614 -2.926 11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.500 -1.403 10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.546 -2.426 11.562 1.00 0.00 H new ATOM 739 N LYS A 47 3.243 -4.350 9.448 1.00 0.00 N ATOM 740 CA LYS A 47 3.502 -5.210 8.258 1.00 0.00 C ATOM 741 C LYS A 47 2.852 -4.598 7.015 1.00 0.00 C ATOM 742 O LYS A 47 1.657 -4.387 6.968 1.00 0.00 O ATOM 743 CB LYS A 47 2.852 -6.554 8.594 1.00 0.00 C ATOM 744 CG LYS A 47 3.549 -7.668 7.811 1.00 0.00 C ATOM 745 CD LYS A 47 2.668 -8.920 7.810 1.00 0.00 C ATOM 746 CE LYS A 47 3.205 -9.922 6.785 1.00 0.00 C ATOM 747 NZ LYS A 47 3.057 -11.254 7.436 1.00 0.00 N ATOM 0 H LYS A 47 2.473 -4.653 10.045 1.00 0.00 H new ATOM 0 HA LYS A 47 4.566 -5.312 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.924 -6.747 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.791 -6.529 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.739 -7.344 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.517 -7.892 8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.656 -9.370 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.639 -8.653 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.642 -9.873 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.247 -9.716 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.404 -11.995 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.609 -11.273 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.054 -11.425 7.652 1.00 0.00 H new ATOM 761 N LYS A 48 3.628 -4.306 6.006 1.00 0.00 N ATOM 762 CA LYS A 48 3.045 -3.704 4.771 1.00 0.00 C ATOM 763 C LYS A 48 2.732 -4.801 3.748 1.00 0.00 C ATOM 764 O LYS A 48 3.583 -5.591 3.392 1.00 0.00 O ATOM 765 CB LYS A 48 4.118 -2.753 4.225 1.00 0.00 C ATOM 766 CG LYS A 48 4.644 -1.851 5.345 1.00 0.00 C ATOM 767 CD LYS A 48 4.898 -0.446 4.794 1.00 0.00 C ATOM 768 CE LYS A 48 6.254 -0.414 4.084 1.00 0.00 C ATOM 769 NZ LYS A 48 7.165 0.297 5.024 1.00 0.00 N ATOM 0 H LYS A 48 4.636 -4.457 5.983 1.00 0.00 H new ATOM 0 HA LYS A 48 2.113 -3.178 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.939 -3.327 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.701 -2.144 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.922 -1.808 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.565 -2.264 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.105 -0.167 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.883 0.282 5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.613 -1.421 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.187 0.107 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.092 0.433 4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.759 1.223 5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.281 -0.268 5.889 1.00 0.00 H new ATOM 783 N VAL A 49 1.515 -4.855 3.277 1.00 0.00 N ATOM 784 CA VAL A 49 1.147 -5.904 2.279 1.00 0.00 C ATOM 785 C VAL A 49 1.098 -5.305 0.870 1.00 0.00 C ATOM 786 O VAL A 49 0.550 -4.243 0.657 1.00 0.00 O ATOM 787 CB VAL A 49 -0.241 -6.385 2.703 1.00 0.00 C ATOM 788 CG1 VAL A 49 -0.724 -7.464 1.733 1.00 0.00 C ATOM 789 CG2 VAL A 49 -0.170 -6.966 4.116 1.00 0.00 C ATOM 0 H VAL A 49 0.761 -4.220 3.539 1.00 0.00 H new ATOM 0 HA VAL A 49 1.872 -6.718 2.252 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.936 -5.546 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.714 -7.808 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.775 -7.051 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.029 -8.303 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.159 -7.309 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.525 -7.806 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.175 -6.198 4.808 1.00 0.00 H new ATOM 799 N CYS A 50 1.667 -5.977 -0.094 1.00 0.00 N ATOM 800 CA CYS A 50 1.653 -5.441 -1.484 1.00 0.00 C ATOM 801 C CYS A 50 0.330 -5.783 -2.178 1.00 0.00 C ATOM 802 O CYS A 50 -0.368 -6.701 -1.793 1.00 0.00 O ATOM 803 CB CYS A 50 2.822 -6.129 -2.189 1.00 0.00 C ATOM 804 SG CYS A 50 4.380 -5.423 -1.601 1.00 0.00 S ATOM 0 H CYS A 50 2.140 -6.873 0.021 1.00 0.00 H new ATOM 0 HA CYS A 50 1.747 -4.355 -1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.799 -7.201 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.736 -6.001 -3.268 1.00 0.00 H new ATOM 809 N THR A 51 -0.015 -5.049 -3.199 1.00 0.00 N ATOM 810 CA THR A 51 -1.288 -5.316 -3.928 1.00 0.00 C ATOM 811 C THR A 51 -1.204 -4.744 -5.348 1.00 0.00 C ATOM 812 O THR A 51 -0.137 -4.420 -5.830 1.00 0.00 O ATOM 813 CB THR A 51 -2.366 -4.593 -3.118 1.00 0.00 C ATOM 814 OG1 THR A 51 -1.872 -3.328 -2.698 1.00 0.00 O ATOM 815 CG2 THR A 51 -2.734 -5.431 -1.893 1.00 0.00 C ATOM 0 H THR A 51 0.534 -4.270 -3.563 1.00 0.00 H new ATOM 0 HA THR A 51 -1.500 -6.381 -4.024 1.00 0.00 H new ATOM 0 HB THR A 51 -3.252 -4.450 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.498 -2.929 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.502 -4.915 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.113 -6.401 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.850 -5.575 -1.272 1.00 0.00 H new ATOM 823 N HIS A 52 -2.315 -4.616 -6.022 1.00 0.00 N ATOM 824 CA HIS A 52 -2.285 -4.064 -7.405 1.00 0.00 C ATOM 825 C HIS A 52 -3.254 -2.880 -7.530 1.00 0.00 C ATOM 826 O HIS A 52 -4.345 -2.921 -6.999 1.00 0.00 O ATOM 827 CB HIS A 52 -2.727 -5.218 -8.304 1.00 0.00 C ATOM 828 CG HIS A 52 -1.715 -5.414 -9.399 1.00 0.00 C ATOM 829 ND1 HIS A 52 -0.356 -5.497 -9.142 1.00 0.00 N ATOM 830 CD2 HIS A 52 -1.849 -5.543 -10.760 1.00 0.00 C ATOM 831 CE1 HIS A 52 0.270 -5.669 -10.322 1.00 0.00 C ATOM 832 NE2 HIS A 52 -0.594 -5.705 -11.340 1.00 0.00 N ATOM 0 H HIS A 52 -3.240 -4.870 -5.675 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.297 -3.692 -7.677 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.827 -6.132 -7.718 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.706 -5.005 -8.733 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.089 -5.439 -8.226 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.785 -5.522 -11.298 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.340 -5.766 -10.432 1.00 0.00 H new ATOM 840 N PRO A 53 -2.826 -1.857 -8.231 1.00 0.00 N ATOM 841 CA PRO A 53 -3.682 -0.659 -8.418 1.00 0.00 C ATOM 842 C PRO A 53 -4.773 -0.928 -9.461 1.00 0.00 C ATOM 843 O PRO A 53 -5.753 -0.213 -9.544 1.00 0.00 O ATOM 844 CB PRO A 53 -2.708 0.402 -8.922 1.00 0.00 C ATOM 845 CG PRO A 53 -1.591 -0.361 -9.564 1.00 0.00 C ATOM 846 CD PRO A 53 -1.526 -1.715 -8.903 1.00 0.00 C ATOM 0 HA PRO A 53 -4.201 -0.363 -7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.189 1.070 -9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.342 1.021 -8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.764 -0.466 -10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.646 0.169 -9.444 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.368 -2.507 -9.635 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.703 -1.770 -8.191 1.00 0.00 H new ATOM 854 N ARG A 54 -4.610 -1.946 -10.262 1.00 0.00 N ATOM 855 CA ARG A 54 -5.635 -2.251 -11.302 1.00 0.00 C ATOM 856 C ARG A 54 -6.969 -2.630 -10.651 1.00 0.00 C ATOM 857 O ARG A 54 -8.029 -2.322 -11.162 1.00 0.00 O ATOM 858 CB ARG A 54 -5.066 -3.437 -12.083 1.00 0.00 C ATOM 859 CG ARG A 54 -5.630 -3.431 -13.506 1.00 0.00 C ATOM 860 CD ARG A 54 -4.860 -4.435 -14.367 1.00 0.00 C ATOM 861 NE ARG A 54 -4.659 -3.748 -15.673 1.00 0.00 N ATOM 862 CZ ARG A 54 -3.954 -4.320 -16.610 1.00 0.00 C ATOM 863 NH1 ARG A 54 -2.718 -4.670 -16.376 1.00 0.00 N ATOM 864 NH2 ARG A 54 -4.484 -4.543 -17.781 1.00 0.00 N ATOM 0 H ARG A 54 -3.811 -2.580 -10.241 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.833 -1.392 -11.944 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.978 -3.378 -12.112 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.322 -4.371 -11.583 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.689 -3.688 -13.489 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.551 -2.432 -13.935 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.907 -4.699 -13.909 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.421 -5.361 -14.490 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.073 -2.830 -15.835 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.303 -4.496 -15.460 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.167 -5.117 -17.109 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.450 -4.270 -17.964 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.933 -4.990 -18.513 1.00 0.00 H new ATOM 878 N LYS A 55 -6.930 -3.302 -9.534 1.00 0.00 N ATOM 879 CA LYS A 55 -8.200 -3.702 -8.861 1.00 0.00 C ATOM 880 C LYS A 55 -8.898 -2.478 -8.261 1.00 0.00 C ATOM 881 O LYS A 55 -8.307 -1.705 -7.533 1.00 0.00 O ATOM 882 CB LYS A 55 -7.775 -4.676 -7.762 1.00 0.00 C ATOM 883 CG LYS A 55 -8.376 -6.055 -8.044 1.00 0.00 C ATOM 884 CD LYS A 55 -7.337 -6.930 -8.748 1.00 0.00 C ATOM 885 CE LYS A 55 -7.059 -6.372 -10.147 1.00 0.00 C ATOM 886 NZ LYS A 55 -7.278 -7.522 -11.070 1.00 0.00 N ATOM 0 H LYS A 55 -6.076 -3.592 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.908 -4.155 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.688 -4.743 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.110 -4.313 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.690 -6.524 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.265 -5.956 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.415 -6.957 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.699 -7.956 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.728 -5.544 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.041 -5.991 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.106 -7.218 -12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.623 -8.292 -10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.258 -7.859 -10.979 1.00 0.00 H new ATOM 900 N LYS A 56 -10.154 -2.298 -8.569 1.00 0.00 N ATOM 901 CA LYS A 56 -10.901 -1.126 -8.028 1.00 0.00 C ATOM 902 C LYS A 56 -10.874 -1.129 -6.496 1.00 0.00 C ATOM 903 O LYS A 56 -10.606 -0.123 -5.871 1.00 0.00 O ATOM 904 CB LYS A 56 -12.332 -1.302 -8.538 1.00 0.00 C ATOM 905 CG LYS A 56 -12.413 -0.856 -10.000 1.00 0.00 C ATOM 906 CD LYS A 56 -13.186 0.462 -10.090 1.00 0.00 C ATOM 907 CE LYS A 56 -12.965 1.090 -11.468 1.00 0.00 C ATOM 908 NZ LYS A 56 -13.960 2.195 -11.550 1.00 0.00 N ATOM 0 H LYS A 56 -10.697 -2.914 -9.174 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.464 -0.180 -8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.636 -2.345 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.021 -0.716 -7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.410 -0.730 -10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.908 -1.621 -10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.249 0.285 -9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.852 1.146 -9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.947 1.466 -11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.118 0.361 -12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.871 2.675 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.920 1.806 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.785 2.877 -10.785 1.00 0.00 H new ATOM 922 N TRP A 57 -11.157 -2.249 -5.885 1.00 0.00 N ATOM 923 CA TRP A 57 -11.153 -2.303 -4.393 1.00 0.00 C ATOM 924 C TRP A 57 -9.825 -1.748 -3.843 1.00 0.00 C ATOM 925 O TRP A 57 -9.785 -1.136 -2.795 1.00 0.00 O ATOM 926 CB TRP A 57 -11.368 -3.795 -4.047 1.00 0.00 C ATOM 927 CG TRP A 57 -10.062 -4.522 -3.933 1.00 0.00 C ATOM 928 CD1 TRP A 57 -9.512 -5.301 -4.893 1.00 0.00 C ATOM 929 CD2 TRP A 57 -9.138 -4.540 -2.809 1.00 0.00 C ATOM 930 NE1 TRP A 57 -8.306 -5.796 -4.428 1.00 0.00 N ATOM 931 CE2 TRP A 57 -8.032 -5.352 -3.147 1.00 0.00 C ATOM 932 CE3 TRP A 57 -9.153 -3.933 -1.541 1.00 0.00 C ATOM 933 CZ2 TRP A 57 -6.977 -5.553 -2.259 1.00 0.00 C ATOM 934 CZ3 TRP A 57 -8.094 -4.136 -0.644 1.00 0.00 C ATOM 935 CH2 TRP A 57 -7.007 -4.943 -1.003 1.00 0.00 C ATOM 0 H TRP A 57 -11.390 -3.125 -6.352 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.931 -1.689 -3.940 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.916 -3.877 -3.108 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.982 -4.264 -4.816 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.943 -5.503 -5.862 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.695 -6.412 -4.964 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -9.985 -3.306 -1.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.141 -6.177 -2.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.117 -3.667 0.329 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.193 -5.093 -0.309 1.00 0.00 H new ATOM 946 N VAL A 58 -8.745 -1.953 -4.550 1.00 0.00 N ATOM 947 CA VAL A 58 -7.430 -1.431 -4.072 1.00 0.00 C ATOM 948 C VAL A 58 -7.473 0.095 -4.011 1.00 0.00 C ATOM 949 O VAL A 58 -7.180 0.691 -2.995 1.00 0.00 O ATOM 950 CB VAL A 58 -6.415 -1.893 -5.114 1.00 0.00 C ATOM 951 CG1 VAL A 58 -5.020 -1.402 -4.724 1.00 0.00 C ATOM 952 CG2 VAL A 58 -6.419 -3.420 -5.177 1.00 0.00 C ATOM 0 H VAL A 58 -8.716 -2.458 -5.436 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.178 -1.790 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.681 -1.485 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.296 -1.733 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.018 -0.313 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.750 -1.810 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.695 -3.755 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.151 -3.825 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.413 -3.770 -5.455 1.00 0.00 H new ATOM 962 N GLN A 59 -7.859 0.732 -5.085 1.00 0.00 N ATOM 963 CA GLN A 59 -7.939 2.218 -5.073 1.00 0.00 C ATOM 964 C GLN A 59 -8.872 2.641 -3.945 1.00 0.00 C ATOM 965 O GLN A 59 -8.701 3.673 -3.324 1.00 0.00 O ATOM 966 CB GLN A 59 -8.522 2.599 -6.434 1.00 0.00 C ATOM 967 CG GLN A 59 -7.471 2.367 -7.522 1.00 0.00 C ATOM 968 CD GLN A 59 -6.235 3.219 -7.228 1.00 0.00 C ATOM 969 OE1 GLN A 59 -5.148 2.698 -7.064 1.00 0.00 O ATOM 970 NE2 GLN A 59 -6.356 4.517 -7.154 1.00 0.00 N ATOM 0 H GLN A 59 -8.121 0.288 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.976 2.702 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.412 2.004 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.832 3.644 -6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.198 1.312 -7.560 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.880 2.626 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.268 4.953 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.539 5.095 -6.959 1.00 0.00 H new ATOM 979 N LYS A 60 -9.850 1.826 -3.664 1.00 0.00 N ATOM 980 CA LYS A 60 -10.789 2.149 -2.565 1.00 0.00 C ATOM 981 C LYS A 60 -10.039 2.092 -1.236 1.00 0.00 C ATOM 982 O LYS A 60 -10.269 2.887 -0.346 1.00 0.00 O ATOM 983 CB LYS A 60 -11.871 1.072 -2.627 1.00 0.00 C ATOM 984 CG LYS A 60 -13.227 1.690 -2.280 1.00 0.00 C ATOM 985 CD LYS A 60 -13.694 2.580 -3.434 1.00 0.00 C ATOM 986 CE LYS A 60 -15.209 2.448 -3.598 1.00 0.00 C ATOM 987 NZ LYS A 60 -15.719 3.848 -3.594 1.00 0.00 N ATOM 0 H LYS A 60 -10.036 0.950 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.222 3.145 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.904 0.632 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.638 0.267 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.959 0.904 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.148 2.276 -1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.428 3.619 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.191 2.291 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.463 1.938 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.645 1.866 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.753 3.841 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.468 4.306 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.292 4.375 -4.382 1.00 0.00 H new ATOM 1001 N TYR A 61 -9.128 1.162 -1.097 1.00 0.00 N ATOM 1002 CA TYR A 61 -8.355 1.069 0.172 1.00 0.00 C ATOM 1003 C TYR A 61 -7.398 2.256 0.280 1.00 0.00 C ATOM 1004 O TYR A 61 -7.093 2.726 1.357 1.00 0.00 O ATOM 1005 CB TYR A 61 -7.579 -0.243 0.075 1.00 0.00 C ATOM 1006 CG TYR A 61 -8.258 -1.289 0.922 1.00 0.00 C ATOM 1007 CD1 TYR A 61 -9.605 -1.601 0.700 1.00 0.00 C ATOM 1008 CD2 TYR A 61 -7.541 -1.948 1.928 1.00 0.00 C ATOM 1009 CE1 TYR A 61 -10.236 -2.572 1.485 1.00 0.00 C ATOM 1010 CE2 TYR A 61 -8.173 -2.919 2.713 1.00 0.00 C ATOM 1011 CZ TYR A 61 -9.520 -3.232 2.491 1.00 0.00 C ATOM 1012 OH TYR A 61 -10.141 -4.191 3.266 1.00 0.00 O ATOM 0 H TYR A 61 -8.889 0.468 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.996 1.090 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.531 -0.574 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.552 -0.097 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.156 -1.092 -0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.502 -1.707 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.275 -2.812 1.315 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.622 -3.427 3.490 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.502 -4.551 3.916 1.00 0.00 H new ATOM 1022 N ILE A 62 -6.928 2.754 -0.832 1.00 0.00 N ATOM 1023 CA ILE A 62 -6.001 3.918 -0.787 1.00 0.00 C ATOM 1024 C ILE A 62 -6.743 5.134 -0.230 1.00 0.00 C ATOM 1025 O ILE A 62 -6.203 5.904 0.540 1.00 0.00 O ATOM 1026 CB ILE A 62 -5.579 4.162 -2.239 1.00 0.00 C ATOM 1027 CG1 ILE A 62 -4.893 2.908 -2.803 1.00 0.00 C ATOM 1028 CG2 ILE A 62 -4.617 5.349 -2.297 1.00 0.00 C ATOM 1029 CD1 ILE A 62 -3.557 2.663 -2.093 1.00 0.00 C ATOM 0 H ILE A 62 -7.146 2.406 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.136 3.739 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.462 4.382 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.543 2.042 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.726 3.028 -3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.316 5.523 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.113 6.239 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.735 5.133 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.084 1.771 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.903 3.522 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.732 2.521 -1.027 1.00 0.00 H new ATOM 1041 N SER A 63 -7.980 5.307 -0.610 1.00 0.00 N ATOM 1042 CA SER A 63 -8.762 6.466 -0.097 1.00 0.00 C ATOM 1043 C SER A 63 -9.253 6.182 1.326 1.00 0.00 C ATOM 1044 O SER A 63 -9.569 7.084 2.076 1.00 0.00 O ATOM 1045 CB SER A 63 -9.945 6.603 -1.056 1.00 0.00 C ATOM 1046 OG SER A 63 -10.971 5.699 -0.666 1.00 0.00 O ATOM 0 H SER A 63 -8.482 4.695 -1.254 1.00 0.00 H new ATOM 0 HA SER A 63 -8.168 7.379 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.321 7.626 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.627 6.392 -2.077 1.00 0.00 H new ATOM 0 HG SER A 63 -10.601 4.794 -0.598 1.00 0.00 H new ATOM 1052 N LEU A 64 -9.318 4.932 1.704 1.00 0.00 N ATOM 1053 CA LEU A 64 -9.789 4.590 3.077 1.00 0.00 C ATOM 1054 C LEU A 64 -8.606 4.560 4.049 1.00 0.00 C ATOM 1055 O LEU A 64 -8.672 5.097 5.137 1.00 0.00 O ATOM 1056 CB LEU A 64 -10.414 3.202 2.947 1.00 0.00 C ATOM 1057 CG LEU A 64 -11.737 3.308 2.188 1.00 0.00 C ATOM 1058 CD1 LEU A 64 -12.115 1.938 1.621 1.00 0.00 C ATOM 1059 CD2 LEU A 64 -12.834 3.784 3.143 1.00 0.00 C ATOM 0 H LEU A 64 -9.065 4.134 1.121 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.499 5.320 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.733 2.533 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.582 2.773 3.935 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.630 4.021 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.058 2.016 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.334 1.598 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.222 1.223 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.778 3.860 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.940 3.071 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.567 4.761 3.546 1.00 0.00 H new ATOM 1071 N LEU A 65 -7.523 3.940 3.664 1.00 0.00 N ATOM 1072 CA LEU A 65 -6.336 3.880 4.566 1.00 0.00 C ATOM 1073 C LEU A 65 -5.962 5.289 5.028 1.00 0.00 C ATOM 1074 O LEU A 65 -5.985 5.600 6.202 1.00 0.00 O ATOM 1075 CB LEU A 65 -5.216 3.287 3.710 1.00 0.00 C ATOM 1076 CG LEU A 65 -5.078 1.791 4.002 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -4.753 1.586 5.483 1.00 0.00 C ATOM 1078 CD2 LEU A 65 -6.392 1.082 3.666 1.00 0.00 C ATOM 0 H LEU A 65 -7.409 3.473 2.765 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.524 3.285 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.432 3.442 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.276 3.796 3.921 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.274 1.376 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.655 0.520 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.817 2.090 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.555 2.002 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.294 0.016 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.196 1.498 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.624 1.226 2.611 1.00 0.00 H new ATOM 1090 N LYS A 66 -5.623 6.143 4.105 1.00 0.00 N ATOM 1091 CA LYS A 66 -5.251 7.537 4.468 1.00 0.00 C ATOM 1092 C LYS A 66 -5.726 8.501 3.377 1.00 0.00 C ATOM 1093 O LYS A 66 -6.418 8.115 2.455 1.00 0.00 O ATOM 1094 CB LYS A 66 -3.725 7.531 4.558 1.00 0.00 C ATOM 1095 CG LYS A 66 -3.274 8.479 5.670 1.00 0.00 C ATOM 1096 CD LYS A 66 -3.036 7.683 6.955 1.00 0.00 C ATOM 1097 CE LYS A 66 -1.594 7.172 6.981 1.00 0.00 C ATOM 1098 NZ LYS A 66 -0.950 7.897 8.113 1.00 0.00 N ATOM 0 H LYS A 66 -5.587 5.933 3.107 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.707 7.861 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.366 6.522 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.293 7.839 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.360 8.994 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.031 9.245 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.226 8.312 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.731 6.845 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.560 6.093 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.085 7.378 6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.043 7.600 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.992 8.921 7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.452 7.676 8.997 1.00 0.00 H new ATOM 1112 N THR A 67 -5.362 9.750 3.468 1.00 0.00 N ATOM 1113 CA THR A 67 -5.800 10.726 2.428 1.00 0.00 C ATOM 1114 C THR A 67 -5.296 10.282 1.048 1.00 0.00 C ATOM 1115 O THR A 67 -4.272 9.635 0.947 1.00 0.00 O ATOM 1116 CB THR A 67 -5.161 12.056 2.833 1.00 0.00 C ATOM 1117 OG1 THR A 67 -5.433 13.033 1.836 1.00 0.00 O ATOM 1118 CG2 THR A 67 -3.648 11.879 2.978 1.00 0.00 C ATOM 0 H THR A 67 -4.783 10.137 4.213 1.00 0.00 H new ATOM 0 HA THR A 67 -6.885 10.804 2.363 1.00 0.00 H new ATOM 0 HB THR A 67 -5.577 12.382 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.263 13.505 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.197 12.828 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.441 11.131 3.744 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.227 11.551 2.027 1.00 0.00 H new ATOM 1126 N PRO A 68 -6.038 10.635 0.027 1.00 0.00 N ATOM 1127 CA PRO A 68 -5.652 10.252 -1.353 1.00 0.00 C ATOM 1128 C PRO A 68 -4.439 11.060 -1.830 1.00 0.00 C ATOM 1129 O PRO A 68 -3.377 10.516 -2.061 1.00 0.00 O ATOM 1130 CB PRO A 68 -6.898 10.569 -2.178 1.00 0.00 C ATOM 1131 CG PRO A 68 -7.635 11.613 -1.398 1.00 0.00 C ATOM 1132 CD PRO A 68 -7.286 11.413 0.056 1.00 0.00 C ATOM 0 HA PRO A 68 -5.352 9.207 -1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.630 10.935 -3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.511 9.679 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.350 12.612 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.710 11.521 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.149 12.366 0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.075 10.879 0.585 1.00 0.00 H new ATOM 1140 N LYS A 69 -4.582 12.348 -1.981 1.00 0.00 N ATOM 1141 CA LYS A 69 -3.428 13.172 -2.445 1.00 0.00 C ATOM 1142 C LYS A 69 -3.771 14.661 -2.355 1.00 0.00 C ATOM 1143 O LYS A 69 -3.412 15.444 -3.212 1.00 0.00 O ATOM 1144 CB LYS A 69 -3.207 12.758 -3.901 1.00 0.00 C ATOM 1145 CG LYS A 69 -1.734 12.945 -4.270 1.00 0.00 C ATOM 1146 CD LYS A 69 -0.899 11.847 -3.609 1.00 0.00 C ATOM 1147 CE LYS A 69 -0.375 10.889 -4.681 1.00 0.00 C ATOM 1148 NZ LYS A 69 -1.380 9.791 -4.739 1.00 0.00 N ATOM 0 H LYS A 69 -5.444 12.865 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.537 13.015 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.498 11.717 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.836 13.357 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.612 12.908 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.388 13.926 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.066 12.288 -3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.504 11.302 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.280 11.389 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.612 10.507 -4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.090 9.093 -5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.444 9.329 -3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.308 10.183 -4.995 1.00 0.00 H new ATOM 1162 N GLN A 70 -4.463 15.059 -1.323 1.00 0.00 N ATOM 1163 CA GLN A 70 -4.827 16.498 -1.179 1.00 0.00 C ATOM 1164 C GLN A 70 -3.697 17.262 -0.483 1.00 0.00 C ATOM 1165 O GLN A 70 -3.170 16.829 0.522 1.00 0.00 O ATOM 1166 CB GLN A 70 -6.090 16.502 -0.317 1.00 0.00 C ATOM 1167 CG GLN A 70 -7.322 16.609 -1.218 1.00 0.00 C ATOM 1168 CD GLN A 70 -8.541 16.984 -0.374 1.00 0.00 C ATOM 1169 OE1 GLN A 70 -8.585 16.706 0.808 1.00 0.00 O ATOM 1170 NE2 GLN A 70 -9.540 17.609 -0.936 1.00 0.00 N ATOM 0 H GLN A 70 -4.792 14.451 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.990 16.982 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.140 15.590 0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.064 17.338 0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.156 17.360 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.497 15.661 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.502 17.842 -1.928 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.358 17.864 -0.383 1.00 0.00 H new ATOM 1179 N LEU A 71 -3.321 18.394 -1.011 1.00 0.00 N ATOM 1180 CA LEU A 71 -2.225 19.184 -0.380 1.00 0.00 C ATOM 1181 C LEU A 71 -2.260 20.631 -0.878 1.00 0.00 C ATOM 1182 O LEU A 71 -1.384 21.390 -0.496 1.00 0.00 O ATOM 1183 CB LEU A 71 -0.934 18.494 -0.824 1.00 0.00 C ATOM 1184 CG LEU A 71 0.204 18.877 0.123 1.00 0.00 C ATOM 1185 CD1 LEU A 71 0.251 17.890 1.291 1.00 0.00 C ATOM 1186 CD2 LEU A 71 1.533 18.832 -0.634 1.00 0.00 C ATOM 1187 OXT LEU A 71 -3.163 20.955 -1.631 1.00 0.00 O ATOM 0 H LEU A 71 -3.725 18.807 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.315 19.221 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.070 17.413 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.686 18.786 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 71 0.035 19.884 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.062 18.163 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.696 17.920 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.420 16.883 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.345 19.105 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.701 17.825 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.501 19.534 -1.467 1.00 0.00 H new TER 1199 LEU A 71