USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 6 SER OG : rot 178:sc= 0.978 USER MOD Set 1.2: A 94 GLN : amide:sc= -1.16 X(o=-0.83,f=-1.2) USER MOD Set 1.3: A 95 ASN : amide:sc= -0.654! C(o=-0.83!,f=-8.3!) USER MOD Set 2.1: A 54 ASN :FLIP amide:sc= 0.469 F(o=-0.89,f=0.9) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0.427 K(o=0.9,f=-1.2) USER MOD Set 3.1: A 39 THR OG1 : rot -76:sc= 1.23 USER MOD Set 3.2: A 40 CYS SG : rot -169:sc= 1.75 USER MOD Set 4.1: A 14 ASN : amide:sc= 1.08 K(o=3.4,f=0.55) USER MOD Set 4.2: A 18 THR OG1 : rot -68:sc= 2.3 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.884) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0247 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -3.54! USER MOD Single : A 3 TYR OH : rot -130:sc= -0.52 USER MOD Single : A 7 SER OG : rot 170:sc= -1.42! USER MOD Single : A 9 ASN : amide:sc= 1.13 K(o=1.1,f=-0.36) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 23 CYS SG : rot -96:sc= -2.66! USER MOD Single : A 25 ASN : amide:sc= -1.34 K(o=-1.3,f=-11!) USER MOD Single : A 29 ASN : amide:sc= 0.374 K(o=0.37,f=-6.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 115:sc= 1.21 USER MOD Single : A 43 ASN : amide:sc= -9.38! C(o=-9.4!,f=-9.9!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 52 MET CE :methyl -164:sc= -2.55! (180deg=-3.3!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 56 SER OG : rot -110:sc= -2.37! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -70:sc= -0.193 USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -1.71! (180deg=-2.62!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 150:sc= -0.113 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.6 USER MOD Single : A 76 LYS NZ :NH3+ 141:sc= 1.08 (180deg=0.426) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 86 GLN : amide:sc= -0.902 K(o=-0.9,f=-2.2!) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.211 F(o=-0.94,f=-0.21) USER MOD Single : A 97 ASN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0332 F(o=-1.2,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.117 14.966 0.330 1.00 0.00 N ATOM 2 CA MET A 1 1.428 14.508 -0.182 1.00 0.00 C ATOM 3 C MET A 1 1.728 13.105 0.329 1.00 0.00 C ATOM 4 O MET A 1 1.433 12.779 1.477 1.00 0.00 O ATOM 5 CB MET A 1 2.531 15.480 0.259 1.00 0.00 C ATOM 6 CG MET A 1 3.936 15.033 -0.114 1.00 0.00 C ATOM 7 SD MET A 1 5.201 16.184 0.458 1.00 0.00 S ATOM 8 CE MET A 1 6.699 15.330 -0.031 1.00 0.00 C ATOM 0 H1 MET A 1 0.174 15.975 0.577 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.609 14.830 -0.402 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.137 14.416 1.175 1.00 0.00 H new ATOM 0 HA MET A 1 1.394 14.484 -1.271 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.341 16.456 -0.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.477 15.608 1.340 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.126 14.048 0.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.006 14.930 -1.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.512 15.609 0.639 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.538 14.253 0.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.959 15.608 -1.052 1.00 0.00 H new ATOM 16 N SER A 2 2.301 12.276 -0.527 1.00 0.00 N ATOM 17 CA SER A 2 2.645 10.918 -0.152 1.00 0.00 C ATOM 18 C SER A 2 4.154 10.747 -0.159 1.00 0.00 C ATOM 19 O SER A 2 4.886 11.679 -0.503 1.00 0.00 O ATOM 20 CB SER A 2 2.006 9.911 -1.112 1.00 0.00 C ATOM 21 OG SER A 2 0.602 10.065 -1.162 1.00 0.00 O ATOM 0 H SER A 2 2.538 12.522 -1.488 1.00 0.00 H new ATOM 0 HA SER A 2 2.263 10.731 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.424 10.042 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.251 8.897 -0.795 1.00 0.00 H new ATOM 0 HG SER A 2 0.223 9.410 -1.784 1.00 0.00 H new ATOM 26 N TYR A 3 4.625 9.576 0.220 1.00 0.00 N ATOM 27 CA TYR A 3 6.052 9.316 0.226 1.00 0.00 C ATOM 28 C TYR A 3 6.592 9.341 -1.201 1.00 0.00 C ATOM 29 O TYR A 3 7.713 9.787 -1.442 1.00 0.00 O ATOM 30 CB TYR A 3 6.358 7.974 0.902 1.00 0.00 C ATOM 31 CG TYR A 3 5.940 6.752 0.110 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.601 6.408 -0.028 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.890 5.946 -0.505 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.223 5.296 -0.753 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.518 4.834 -1.232 1.00 0.00 C ATOM 36 CZ TYR A 3 5.187 4.514 -1.355 1.00 0.00 C ATOM 37 OH TYR A 3 4.817 3.408 -2.080 1.00 0.00 O ATOM 0 H TYR A 3 4.046 8.794 0.526 1.00 0.00 H new ATOM 0 HA TYR A 3 6.548 10.099 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.429 7.916 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.859 7.949 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.844 7.020 0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.937 6.194 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.178 5.039 -0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.270 4.217 -1.703 1.00 0.00 H new ATOM 0 HH TYR A 3 5.343 2.634 -1.788 1.00 0.00 H new ATOM 46 N ALA A 4 5.762 8.901 -2.150 1.00 0.00 N ATOM 47 CA ALA A 4 6.133 8.848 -3.565 1.00 0.00 C ATOM 48 C ALA A 4 6.544 10.216 -4.101 1.00 0.00 C ATOM 49 O ALA A 4 7.262 10.308 -5.094 1.00 0.00 O ATOM 50 CB ALA A 4 4.984 8.287 -4.386 1.00 0.00 C ATOM 0 H ALA A 4 4.816 8.572 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 4 6.997 8.190 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.271 8.252 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.748 7.281 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.108 8.925 -4.270 1.00 0.00 H new ATOM 56 N ASP A 5 6.093 11.276 -3.435 1.00 0.00 N ATOM 57 CA ASP A 5 6.424 12.631 -3.830 1.00 0.00 C ATOM 58 C ASP A 5 7.918 12.889 -3.665 1.00 0.00 C ATOM 59 O ASP A 5 8.470 13.816 -4.255 1.00 0.00 O ATOM 60 CB ASP A 5 5.632 13.625 -2.984 1.00 0.00 C ATOM 61 CG ASP A 5 4.203 13.811 -3.457 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.993 14.602 -4.395 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.287 13.187 -2.874 1.00 0.00 O ATOM 0 H ASP A 5 5.492 11.215 -2.613 1.00 0.00 H new ATOM 0 HA ASP A 5 6.163 12.760 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.623 13.284 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.140 14.589 -2.998 1.00 0.00 H new ATOM 67 N SER A 6 8.563 12.062 -2.853 1.00 0.00 N ATOM 68 CA SER A 6 9.987 12.187 -2.602 1.00 0.00 C ATOM 69 C SER A 6 10.621 10.812 -2.400 1.00 0.00 C ATOM 70 O SER A 6 11.477 10.627 -1.536 1.00 0.00 O ATOM 71 CB SER A 6 10.228 13.087 -1.385 1.00 0.00 C ATOM 72 OG SER A 6 9.351 12.754 -0.320 1.00 0.00 O ATOM 0 H SER A 6 8.116 11.293 -2.355 1.00 0.00 H new ATOM 0 HA SER A 6 10.458 12.647 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.262 12.986 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.084 14.130 -1.666 1.00 0.00 H new ATOM 0 HG SER A 6 9.548 13.320 0.455 1.00 0.00 H new ATOM 77 N SER A 7 10.178 9.842 -3.193 1.00 0.00 N ATOM 78 CA SER A 7 10.715 8.492 -3.114 1.00 0.00 C ATOM 79 C SER A 7 10.737 7.854 -4.494 1.00 0.00 C ATOM 80 O SER A 7 10.143 8.374 -5.441 1.00 0.00 O ATOM 81 CB SER A 7 9.908 7.627 -2.147 1.00 0.00 C ATOM 82 OG SER A 7 8.572 7.505 -2.577 1.00 0.00 O ATOM 0 H SER A 7 9.450 9.967 -3.896 1.00 0.00 H new ATOM 0 HA SER A 7 11.734 8.559 -2.734 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.362 6.639 -2.071 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.935 8.067 -1.150 1.00 0.00 H new ATOM 0 HG SER A 7 8.115 6.826 -2.038 1.00 0.00 H new ATOM 87 N ARG A 8 11.426 6.737 -4.602 1.00 0.00 N ATOM 88 CA ARG A 8 11.540 6.025 -5.862 1.00 0.00 C ATOM 89 C ARG A 8 11.710 4.535 -5.624 1.00 0.00 C ATOM 90 O ARG A 8 12.049 4.116 -4.513 1.00 0.00 O ATOM 91 CB ARG A 8 12.740 6.539 -6.656 1.00 0.00 C ATOM 92 CG ARG A 8 14.046 6.458 -5.882 1.00 0.00 C ATOM 93 CD ARG A 8 15.241 6.809 -6.748 1.00 0.00 C ATOM 94 NE ARG A 8 15.031 8.046 -7.487 1.00 0.00 N ATOM 95 CZ ARG A 8 16.006 8.757 -8.047 1.00 0.00 C ATOM 96 NH1 ARG A 8 17.273 8.370 -7.933 1.00 0.00 N ATOM 97 NH2 ARG A 8 15.711 9.867 -8.708 1.00 0.00 N ATOM 0 H ARG A 8 11.921 6.298 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 8 10.624 6.198 -6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.833 5.962 -7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.560 7.574 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.005 7.135 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.170 5.451 -5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.127 6.906 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.433 5.996 -7.448 1.00 0.00 H new ATOM 0 HE ARG A 8 14.075 8.389 -7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.503 7.523 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.015 8.920 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.741 10.172 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.454 10.416 -9.140 1.00 0.00 H new ATOM 108 N ASN A 9 11.471 3.752 -6.673 1.00 0.00 N ATOM 109 CA ASN A 9 11.639 2.302 -6.620 1.00 0.00 C ATOM 110 C ASN A 9 10.802 1.676 -5.510 1.00 0.00 C ATOM 111 O ASN A 9 11.333 1.042 -4.597 1.00 0.00 O ATOM 112 CB ASN A 9 13.122 1.971 -6.430 1.00 0.00 C ATOM 113 CG ASN A 9 13.960 2.394 -7.622 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.555 2.223 -8.774 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.112 2.995 -7.364 1.00 0.00 N ATOM 0 H ASN A 9 11.157 4.102 -7.578 1.00 0.00 H new ATOM 0 HA ASN A 9 11.288 1.880 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.492 2.468 -5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.236 0.899 -6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.694 3.333 -8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.417 3.120 -6.399 1.00 0.00 H new ATOM 121 N ALA A 10 9.493 1.862 -5.598 1.00 0.00 N ATOM 122 CA ALA A 10 8.573 1.317 -4.611 1.00 0.00 C ATOM 123 C ALA A 10 8.078 -0.057 -5.038 1.00 0.00 C ATOM 124 O ALA A 10 7.456 -0.206 -6.092 1.00 0.00 O ATOM 125 CB ALA A 10 7.398 2.261 -4.402 1.00 0.00 C ATOM 0 H ALA A 10 9.043 2.389 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 10 9.108 1.211 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.719 1.839 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.764 3.226 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.868 2.396 -5.345 1.00 0.00 H new ATOM 131 N VAL A 11 8.360 -1.055 -4.217 1.00 0.00 N ATOM 132 CA VAL A 11 7.953 -2.424 -4.495 1.00 0.00 C ATOM 133 C VAL A 11 7.041 -2.945 -3.388 1.00 0.00 C ATOM 134 O VAL A 11 6.908 -2.315 -2.334 1.00 0.00 O ATOM 135 CB VAL A 11 9.174 -3.363 -4.641 1.00 0.00 C ATOM 136 CG1 VAL A 11 10.027 -2.956 -5.834 1.00 0.00 C ATOM 137 CG2 VAL A 11 10.009 -3.371 -3.365 1.00 0.00 C ATOM 0 H VAL A 11 8.874 -0.941 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 11 7.411 -2.415 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 11 8.803 -4.374 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.880 -3.629 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.430 -3.012 -6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.383 -1.935 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.861 -4.038 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.366 -2.362 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.398 -3.718 -2.532 1.00 0.00 H new ATOM 147 N LEU A 12 6.429 -4.099 -3.625 1.00 0.00 N ATOM 148 CA LEU A 12 5.518 -4.697 -2.656 1.00 0.00 C ATOM 149 C LEU A 12 6.174 -5.887 -1.971 1.00 0.00 C ATOM 150 O LEU A 12 6.452 -6.906 -2.606 1.00 0.00 O ATOM 151 CB LEU A 12 4.211 -5.159 -3.332 1.00 0.00 C ATOM 152 CG LEU A 12 3.271 -4.055 -3.835 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.034 -3.022 -2.746 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.809 -3.411 -5.104 1.00 0.00 C ATOM 0 H LEU A 12 6.547 -4.640 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 12 5.281 -3.934 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.471 -5.796 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.661 -5.778 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 12 2.312 -4.509 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.365 -2.246 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.582 -3.504 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.984 -2.573 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.122 -2.633 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.786 -2.971 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.905 -4.167 -5.883 1.00 0.00 H new ATOM 165 N THR A 13 6.405 -5.765 -0.675 1.00 0.00 N ATOM 166 CA THR A 13 7.026 -6.836 0.083 1.00 0.00 C ATOM 167 C THR A 13 6.025 -7.485 1.034 1.00 0.00 C ATOM 168 O THR A 13 4.937 -6.940 1.274 1.00 0.00 O ATOM 169 CB THR A 13 8.253 -6.330 0.870 1.00 0.00 C ATOM 170 OG1 THR A 13 7.911 -5.161 1.627 1.00 0.00 O ATOM 171 CG2 THR A 13 9.404 -6.009 -0.072 1.00 0.00 C ATOM 0 H THR A 13 6.172 -4.937 -0.127 1.00 0.00 H new ATOM 0 HA THR A 13 7.364 -7.586 -0.633 1.00 0.00 H new ATOM 0 HB THR A 13 8.567 -7.121 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.697 -4.851 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.258 -5.654 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.685 -6.907 -0.622 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.094 -5.236 -0.775 1.00 0.00 H new ATOM 179 N ASN A 14 6.387 -8.665 1.540 1.00 0.00 N ATOM 180 CA ASN A 14 5.544 -9.414 2.470 1.00 0.00 C ATOM 181 C ASN A 14 4.218 -9.784 1.821 1.00 0.00 C ATOM 182 O ASN A 14 3.153 -9.644 2.424 1.00 0.00 O ATOM 183 CB ASN A 14 5.304 -8.618 3.759 1.00 0.00 C ATOM 184 CG ASN A 14 6.509 -8.609 4.681 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.261 -9.581 4.746 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.705 -7.508 5.391 1.00 0.00 N ATOM 0 H ASN A 14 7.269 -9.126 1.317 1.00 0.00 H new ATOM 0 HA ASN A 14 6.070 -10.333 2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.042 -7.592 3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.451 -9.042 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.504 -7.443 6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.057 -6.725 5.307 1.00 0.00 H new ATOM 192 N GLY A 15 4.286 -10.238 0.576 1.00 0.00 N ATOM 193 CA GLY A 15 3.087 -10.624 -0.139 1.00 0.00 C ATOM 194 C GLY A 15 2.469 -9.458 -0.879 1.00 0.00 C ATOM 195 O GLY A 15 1.978 -9.604 -2.000 1.00 0.00 O ATOM 0 H GLY A 15 5.152 -10.346 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.327 -11.417 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.361 -11.033 0.564 1.00 0.00 H new ATOM 199 N GLY A 16 2.519 -8.294 -0.252 1.00 0.00 N ATOM 200 CA GLY A 16 1.957 -7.102 -0.842 1.00 0.00 C ATOM 201 C GLY A 16 1.267 -6.248 0.192 1.00 0.00 C ATOM 202 O GLY A 16 0.178 -5.729 -0.038 1.00 0.00 O ATOM 0 H GLY A 16 2.944 -8.155 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.747 -6.526 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.246 -7.380 -1.620 1.00 0.00 H new ATOM 206 N ARG A 17 1.893 -6.111 1.348 1.00 0.00 N ATOM 207 CA ARG A 17 1.321 -5.315 2.418 1.00 0.00 C ATOM 208 C ARG A 17 2.314 -4.278 2.921 1.00 0.00 C ATOM 209 O ARG A 17 1.929 -3.267 3.509 1.00 0.00 O ATOM 210 CB ARG A 17 0.845 -6.216 3.560 1.00 0.00 C ATOM 211 CG ARG A 17 1.921 -7.092 4.182 1.00 0.00 C ATOM 212 CD ARG A 17 1.311 -8.053 5.193 1.00 0.00 C ATOM 213 NE ARG A 17 2.317 -8.796 5.950 1.00 0.00 N ATOM 214 CZ ARG A 17 2.440 -8.733 7.277 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.610 -7.983 7.990 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.373 -9.438 7.898 1.00 0.00 N ATOM 0 H ARG A 17 2.793 -6.538 1.568 1.00 0.00 H new ATOM 0 HA ARG A 17 0.458 -4.781 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.413 -5.590 4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.047 -6.858 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.436 -7.654 3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.669 -6.467 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.683 -7.493 5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.662 -8.757 4.672 1.00 0.00 H new ATOM 0 HE ARG A 17 2.961 -9.396 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.874 -7.452 7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.707 -7.938 9.004 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.003 -10.034 7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.461 -9.385 8.913 1.00 0.00 H new ATOM 227 N THR A 18 3.588 -4.521 2.670 1.00 0.00 N ATOM 228 CA THR A 18 4.625 -3.611 3.094 1.00 0.00 C ATOM 229 C THR A 18 5.183 -2.849 1.899 1.00 0.00 C ATOM 230 O THR A 18 5.491 -3.437 0.859 1.00 0.00 O ATOM 231 CB THR A 18 5.760 -4.375 3.791 1.00 0.00 C ATOM 232 OG1 THR A 18 5.204 -5.381 4.650 1.00 0.00 O ATOM 233 CG2 THR A 18 6.629 -3.431 4.605 1.00 0.00 C ATOM 0 H THR A 18 3.925 -5.345 2.173 1.00 0.00 H new ATOM 0 HA THR A 18 4.188 -2.903 3.798 1.00 0.00 H new ATOM 0 HB THR A 18 6.382 -4.843 3.028 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.739 -4.952 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.426 -3.996 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.065 -2.680 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.020 -2.939 5.364 1.00 0.00 H new ATOM 241 N LEU A 19 5.278 -1.538 2.042 1.00 0.00 N ATOM 242 CA LEU A 19 5.809 -0.689 0.988 1.00 0.00 C ATOM 243 C LEU A 19 7.292 -0.467 1.189 1.00 0.00 C ATOM 244 O LEU A 19 7.700 0.153 2.170 1.00 0.00 O ATOM 245 CB LEU A 19 5.112 0.673 0.967 1.00 0.00 C ATOM 246 CG LEU A 19 3.658 0.671 0.516 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.123 2.092 0.497 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.524 0.034 -0.858 1.00 0.00 C ATOM 0 H LEU A 19 4.993 -1.036 2.883 1.00 0.00 H new ATOM 0 HA LEU A 19 5.630 -1.197 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.160 1.099 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.675 1.337 0.311 1.00 0.00 H new ATOM 0 HG LEU A 19 3.072 0.081 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.082 2.085 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.189 2.519 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.713 2.694 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.477 0.042 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.116 0.597 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.882 -0.995 -0.819 1.00 0.00 H new ATOM 259 N ARG A 20 8.098 -0.982 0.280 1.00 0.00 N ATOM 260 CA ARG A 20 9.532 -0.799 0.368 1.00 0.00 C ATOM 261 C ARG A 20 9.992 0.096 -0.773 1.00 0.00 C ATOM 262 O ARG A 20 9.809 -0.241 -1.943 1.00 0.00 O ATOM 263 CB ARG A 20 10.244 -2.149 0.316 1.00 0.00 C ATOM 264 CG ARG A 20 11.738 -2.050 0.544 1.00 0.00 C ATOM 265 CD ARG A 20 12.376 -3.423 0.680 1.00 0.00 C ATOM 266 NE ARG A 20 13.825 -3.330 0.851 1.00 0.00 N ATOM 267 CZ ARG A 20 14.490 -3.814 1.902 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.845 -4.443 2.878 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.806 -3.654 1.985 1.00 0.00 N ATOM 0 H ARG A 20 7.785 -1.527 -0.523 1.00 0.00 H new ATOM 0 HA ARG A 20 9.781 -0.325 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.812 -2.809 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.062 -2.610 -0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.199 -1.515 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.931 -1.468 1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.941 -3.944 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.151 -4.018 -0.205 1.00 0.00 H new ATOM 0 HE ARG A 20 14.363 -2.865 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.833 -4.559 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.362 -4.810 3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.307 -3.162 1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.315 -4.024 2.788 1.00 0.00 H new ATOM 280 N ALA A 21 10.577 1.236 -0.432 1.00 0.00 N ATOM 281 CA ALA A 21 11.043 2.185 -1.434 1.00 0.00 C ATOM 282 C ALA A 21 12.186 3.034 -0.903 1.00 0.00 C ATOM 283 O ALA A 21 12.446 3.066 0.304 1.00 0.00 O ATOM 284 CB ALA A 21 9.895 3.085 -1.866 1.00 0.00 C ATOM 0 H ALA A 21 10.740 1.526 0.532 1.00 0.00 H new ATOM 0 HA ALA A 21 11.409 1.618 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.250 3.793 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.096 2.477 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.516 3.631 -1.002 1.00 0.00 H new ATOM 290 N GLU A 22 12.853 3.734 -1.811 1.00 0.00 N ATOM 291 CA GLU A 22 13.945 4.620 -1.447 1.00 0.00 C ATOM 292 C GLU A 22 13.361 5.988 -1.179 1.00 0.00 C ATOM 293 O GLU A 22 12.940 6.679 -2.104 1.00 0.00 O ATOM 294 CB GLU A 22 14.992 4.714 -2.565 1.00 0.00 C ATOM 295 CG GLU A 22 15.590 3.370 -2.943 1.00 0.00 C ATOM 296 CD GLU A 22 16.781 3.508 -3.862 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.908 3.681 -3.352 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.599 3.446 -5.097 1.00 0.00 O ATOM 0 H GLU A 22 12.653 3.703 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 22 14.448 4.227 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.533 5.160 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.792 5.384 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.892 2.842 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.828 2.760 -3.429 1.00 0.00 H new ATOM 303 N CYS A 23 13.305 6.361 0.084 1.00 0.00 N ATOM 304 CA CYS A 23 12.739 7.637 0.464 1.00 0.00 C ATOM 305 C CYS A 23 13.837 8.662 0.661 1.00 0.00 C ATOM 306 O CYS A 23 14.844 8.385 1.312 1.00 0.00 O ATOM 307 CB CYS A 23 11.920 7.480 1.740 1.00 0.00 C ATOM 308 SG CYS A 23 10.707 6.145 1.657 1.00 0.00 S ATOM 0 H CYS A 23 13.645 5.798 0.863 1.00 0.00 H new ATOM 0 HA CYS A 23 12.084 7.986 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.595 7.295 2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.404 8.417 1.949 1.00 0.00 H new ATOM 0 HG CYS A 23 9.549 6.631 1.323 1.00 0.00 H new ATOM 313 N ARG A 24 13.658 9.828 0.069 1.00 0.00 N ATOM 314 CA ARG A 24 14.622 10.888 0.191 1.00 0.00 C ATOM 315 C ARG A 24 14.503 11.542 1.557 1.00 0.00 C ATOM 316 O ARG A 24 13.444 12.060 1.915 1.00 0.00 O ATOM 317 CB ARG A 24 14.385 11.914 -0.903 1.00 0.00 C ATOM 318 CG ARG A 24 15.630 12.668 -1.293 1.00 0.00 C ATOM 319 CD ARG A 24 15.368 13.544 -2.496 1.00 0.00 C ATOM 320 NE ARG A 24 14.758 14.825 -2.126 1.00 0.00 N ATOM 321 CZ ARG A 24 14.894 15.945 -2.836 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.572 15.935 -3.979 1.00 0.00 N ATOM 323 NH2 ARG A 24 14.340 17.073 -2.408 1.00 0.00 N ATOM 0 H ARG A 24 12.846 10.059 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 24 15.627 10.478 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.983 11.411 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.629 12.624 -0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.967 13.281 -0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.432 11.965 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.306 13.728 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.712 13.018 -3.190 1.00 0.00 H new ATOM 0 HE ARG A 24 14.197 14.861 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.991 15.068 -4.316 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.674 16.794 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.811 17.082 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.444 17.930 -2.951 1.00 0.00 H new ATOM 334 N ASN A 25 15.574 11.494 2.331 1.00 0.00 N ATOM 335 CA ASN A 25 15.563 12.099 3.650 1.00 0.00 C ATOM 336 C ASN A 25 15.821 13.593 3.533 1.00 0.00 C ATOM 337 O ASN A 25 16.217 14.057 2.461 1.00 0.00 O ATOM 338 CB ASN A 25 16.576 11.432 4.603 1.00 0.00 C ATOM 339 CG ASN A 25 18.023 11.546 4.155 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.414 12.491 3.479 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.833 10.573 4.539 1.00 0.00 N ATOM 0 H ASN A 25 16.453 11.047 2.072 1.00 0.00 H new ATOM 0 HA ASN A 25 14.576 11.941 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.477 11.881 5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.321 10.377 4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.817 10.594 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.473 9.802 5.101 1.00 0.00 H new ATOM 347 N ALA A 26 15.618 14.331 4.622 1.00 0.00 N ATOM 348 CA ALA A 26 15.810 15.784 4.635 1.00 0.00 C ATOM 349 C ALA A 26 17.189 16.193 4.118 1.00 0.00 C ATOM 350 O ALA A 26 17.356 17.264 3.528 1.00 0.00 O ATOM 351 CB ALA A 26 15.598 16.319 6.041 1.00 0.00 C ATOM 0 H ALA A 26 15.318 13.944 5.517 1.00 0.00 H new ATOM 0 HA ALA A 26 15.073 16.218 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.742 17.399 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.585 16.087 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.315 15.855 6.719 1.00 0.00 H new ATOM 357 N ASP A 27 18.174 15.335 4.327 1.00 0.00 N ATOM 358 CA ASP A 27 19.535 15.606 3.883 1.00 0.00 C ATOM 359 C ASP A 27 19.637 15.480 2.360 1.00 0.00 C ATOM 360 O ASP A 27 20.594 15.944 1.741 1.00 0.00 O ATOM 361 CB ASP A 27 20.505 14.640 4.567 1.00 0.00 C ATOM 362 CG ASP A 27 21.937 14.820 4.114 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.556 15.847 4.471 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.459 13.920 3.424 1.00 0.00 O ATOM 0 H ASP A 27 18.057 14.441 4.803 1.00 0.00 H new ATOM 0 HA ASP A 27 19.800 16.627 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.451 14.783 5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.192 13.616 4.365 1.00 0.00 H new ATOM 368 N GLY A 28 18.625 14.868 1.767 1.00 0.00 N ATOM 369 CA GLY A 28 18.591 14.680 0.332 1.00 0.00 C ATOM 370 C GLY A 28 19.190 13.352 -0.068 1.00 0.00 C ATOM 371 O GLY A 28 19.649 13.184 -1.199 1.00 0.00 O ATOM 0 H GLY A 28 17.816 14.493 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.560 14.736 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.137 15.488 -0.155 1.00 0.00 H new ATOM 375 N ASN A 29 19.174 12.403 0.857 1.00 0.00 N ATOM 376 CA ASN A 29 19.749 11.082 0.599 1.00 0.00 C ATOM 377 C ASN A 29 18.647 10.044 0.436 1.00 0.00 C ATOM 378 O ASN A 29 17.508 10.273 0.837 1.00 0.00 O ATOM 379 CB ASN A 29 20.678 10.671 1.743 1.00 0.00 C ATOM 380 CG ASN A 29 21.831 9.795 1.284 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.726 9.058 0.302 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.943 9.869 1.999 1.00 0.00 N ATOM 0 H ASN A 29 18.773 12.517 1.788 1.00 0.00 H new ATOM 0 HA ASN A 29 20.325 11.136 -0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.076 11.566 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.101 10.137 2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.752 9.303 1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.990 10.492 2.805 1.00 0.00 H new ATOM 388 N TRP A 30 18.995 8.901 -0.139 1.00 0.00 N ATOM 389 CA TRP A 30 18.033 7.831 -0.362 1.00 0.00 C ATOM 390 C TRP A 30 18.127 6.759 0.710 1.00 0.00 C ATOM 391 O TRP A 30 19.144 6.075 0.834 1.00 0.00 O ATOM 392 CB TRP A 30 18.252 7.184 -1.726 1.00 0.00 C ATOM 393 CG TRP A 30 17.951 8.092 -2.870 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.830 8.569 -3.795 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.675 8.638 -3.210 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.174 9.371 -4.692 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.853 9.431 -4.353 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.400 8.531 -2.657 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.802 10.110 -4.955 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.358 9.206 -3.257 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.566 9.987 -4.396 1.00 0.00 C ATOM 0 H TRP A 30 19.940 8.691 -0.460 1.00 0.00 H new ATOM 0 HA TRP A 30 17.042 8.283 -0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.287 6.851 -1.799 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.625 6.296 -1.803 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.887 8.348 -3.818 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.604 9.847 -5.485 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.231 7.931 -1.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.959 10.715 -5.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.365 9.129 -2.839 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.730 10.504 -4.843 1.00 0.00 H new ATOM 411 N VAL A 31 17.064 6.614 1.477 1.00 0.00 N ATOM 412 CA VAL A 31 17.006 5.606 2.518 1.00 0.00 C ATOM 413 C VAL A 31 15.820 4.679 2.286 1.00 0.00 C ATOM 414 O VAL A 31 14.684 5.131 2.131 1.00 0.00 O ATOM 415 CB VAL A 31 16.923 6.222 3.931 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.291 6.710 4.383 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.926 7.366 3.977 1.00 0.00 C ATOM 0 H VAL A 31 16.223 7.186 1.398 1.00 0.00 H new ATOM 0 HA VAL A 31 17.934 5.037 2.465 1.00 0.00 H new ATOM 0 HB VAL A 31 16.580 5.442 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.212 7.141 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.988 5.872 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.655 7.467 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.891 7.778 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.232 8.144 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.938 6.999 3.701 1.00 0.00 H new ATOM 427 N THR A 32 16.090 3.386 2.229 1.00 0.00 N ATOM 428 CA THR A 32 15.047 2.402 2.003 1.00 0.00 C ATOM 429 C THR A 32 14.222 2.179 3.268 1.00 0.00 C ATOM 430 O THR A 32 14.728 1.671 4.272 1.00 0.00 O ATOM 431 CB THR A 32 15.651 1.064 1.542 1.00 0.00 C ATOM 432 OG1 THR A 32 16.570 1.290 0.465 1.00 0.00 O ATOM 433 CG2 THR A 32 14.560 0.109 1.086 1.00 0.00 C ATOM 0 H THR A 32 17.025 2.993 2.336 1.00 0.00 H new ATOM 0 HA THR A 32 14.394 2.788 1.220 1.00 0.00 H new ATOM 0 HB THR A 32 16.177 0.617 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.953 0.435 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.010 -0.830 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.874 -0.081 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.012 0.552 0.254 1.00 0.00 H new ATOM 441 N SER A 33 12.956 2.568 3.220 1.00 0.00 N ATOM 442 CA SER A 33 12.064 2.409 4.357 1.00 0.00 C ATOM 443 C SER A 33 10.872 1.538 3.989 1.00 0.00 C ATOM 444 O SER A 33 10.515 1.425 2.814 1.00 0.00 O ATOM 445 CB SER A 33 11.592 3.772 4.860 1.00 0.00 C ATOM 446 OG SER A 33 12.662 4.494 5.448 1.00 0.00 O ATOM 0 H SER A 33 12.523 2.997 2.402 1.00 0.00 H new ATOM 0 HA SER A 33 12.615 1.915 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.174 4.344 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.794 3.638 5.590 1.00 0.00 H new ATOM 0 HG SER A 33 12.848 5.295 4.915 1.00 0.00 H new ATOM 451 N GLU A 34 10.270 0.916 4.997 1.00 0.00 N ATOM 452 CA GLU A 34 9.126 0.042 4.784 1.00 0.00 C ATOM 453 C GLU A 34 7.992 0.373 5.749 1.00 0.00 C ATOM 454 O GLU A 34 8.224 0.610 6.937 1.00 0.00 O ATOM 455 CB GLU A 34 9.537 -1.418 4.970 1.00 0.00 C ATOM 456 CG GLU A 34 10.652 -1.870 4.043 1.00 0.00 C ATOM 457 CD GLU A 34 11.172 -3.243 4.406 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.607 -3.422 5.562 1.00 0.00 O ATOM 459 OE2 GLU A 34 11.161 -4.145 3.543 1.00 0.00 O ATOM 0 H GLU A 34 10.558 1.002 5.972 1.00 0.00 H new ATOM 0 HA GLU A 34 8.773 0.198 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.854 -1.567 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.666 -2.053 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.287 -1.881 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.470 -1.151 4.083 1.00 0.00 H new ATOM 464 N LEU A 35 6.775 0.394 5.230 1.00 0.00 N ATOM 465 CA LEU A 35 5.591 0.662 6.038 1.00 0.00 C ATOM 466 C LEU A 35 4.538 -0.385 5.701 1.00 0.00 C ATOM 467 O LEU A 35 4.265 -0.633 4.525 1.00 0.00 O ATOM 468 CB LEU A 35 5.048 2.078 5.759 1.00 0.00 C ATOM 469 CG LEU A 35 4.131 2.696 6.836 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.775 2.010 6.881 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.803 2.635 8.198 1.00 0.00 C ATOM 0 H LEU A 35 6.578 0.227 4.243 1.00 0.00 H new ATOM 0 HA LEU A 35 5.847 0.610 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.898 2.745 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.498 2.052 4.818 1.00 0.00 H new ATOM 0 HG LEU A 35 3.962 3.739 6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.158 2.473 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.284 2.111 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.909 0.953 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.145 3.074 8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.006 1.596 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.740 3.191 8.167 1.00 0.00 H new ATOM 482 N ASP A 36 3.970 -1.013 6.718 1.00 0.00 N ATOM 483 CA ASP A 36 2.951 -2.032 6.500 1.00 0.00 C ATOM 484 C ASP A 36 1.580 -1.378 6.476 1.00 0.00 C ATOM 485 O ASP A 36 1.073 -0.932 7.506 1.00 0.00 O ATOM 486 CB ASP A 36 2.994 -3.097 7.601 1.00 0.00 C ATOM 487 CG ASP A 36 4.369 -3.705 7.780 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.700 -4.684 7.078 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.130 -3.206 8.633 1.00 0.00 O ATOM 0 H ASP A 36 4.194 -0.838 7.698 1.00 0.00 H new ATOM 0 HA ASP A 36 3.147 -2.519 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.674 -2.652 8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.281 -3.887 7.363 1.00 0.00 H new ATOM 493 N LEU A 37 0.983 -1.327 5.299 1.00 0.00 N ATOM 494 CA LEU A 37 -0.326 -0.710 5.129 1.00 0.00 C ATOM 495 C LEU A 37 -1.444 -1.640 5.572 1.00 0.00 C ATOM 496 O LEU A 37 -2.543 -1.191 5.885 1.00 0.00 O ATOM 497 CB LEU A 37 -0.556 -0.333 3.666 1.00 0.00 C ATOM 498 CG LEU A 37 0.684 0.095 2.885 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.296 0.441 1.462 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.366 1.277 3.554 1.00 0.00 C ATOM 0 H LEU A 37 1.384 -1.707 4.441 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.340 0.184 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.006 -1.186 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.283 0.479 3.630 1.00 0.00 H new ATOM 0 HG LEU A 37 1.392 -0.734 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.183 0.746 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.149 -0.432 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.426 1.258 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.246 1.563 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.674 2.118 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.667 0.999 4.564 1.00 0.00 H new ATOM 511 N ASP A 38 -1.157 -2.933 5.626 1.00 0.00 N ATOM 512 CA ASP A 38 -2.160 -3.925 6.009 1.00 0.00 C ATOM 513 C ASP A 38 -2.593 -3.757 7.456 1.00 0.00 C ATOM 514 O ASP A 38 -3.558 -4.372 7.896 1.00 0.00 O ATOM 515 CB ASP A 38 -1.640 -5.341 5.791 1.00 0.00 C ATOM 516 CG ASP A 38 -0.526 -5.707 6.744 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.480 -4.973 6.801 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.642 -6.747 7.417 1.00 0.00 O ATOM 0 H ASP A 38 -0.239 -3.323 5.410 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.028 -3.762 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.461 -6.048 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.282 -5.438 4.766 1.00 0.00 H new ATOM 522 N THR A 39 -1.880 -2.922 8.190 1.00 0.00 N ATOM 523 CA THR A 39 -2.206 -2.662 9.577 1.00 0.00 C ATOM 524 C THR A 39 -3.334 -1.638 9.674 1.00 0.00 C ATOM 525 O THR A 39 -3.914 -1.433 10.740 1.00 0.00 O ATOM 526 CB THR A 39 -0.973 -2.140 10.341 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.487 -0.937 9.723 1.00 0.00 O ATOM 528 CG2 THR A 39 0.130 -3.184 10.353 1.00 0.00 C ATOM 0 H THR A 39 -1.068 -2.411 7.845 1.00 0.00 H new ATOM 0 HA THR A 39 -2.529 -3.600 10.028 1.00 0.00 H new ATOM 0 HB THR A 39 -1.269 -1.928 11.368 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.002 -1.164 8.905 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.992 -2.797 10.897 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.231 -4.089 10.842 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.422 -3.417 9.329 1.00 0.00 H new ATOM 536 N CYS A 40 -3.638 -0.998 8.549 1.00 0.00 N ATOM 537 CA CYS A 40 -4.681 0.018 8.514 1.00 0.00 C ATOM 538 C CYS A 40 -5.625 -0.155 7.319 1.00 0.00 C ATOM 539 O CYS A 40 -6.703 0.436 7.288 1.00 0.00 O ATOM 540 CB CYS A 40 -4.040 1.402 8.479 1.00 0.00 C ATOM 541 SG CYS A 40 -2.750 1.639 9.723 1.00 0.00 S ATOM 0 H CYS A 40 -3.178 -1.165 7.654 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.283 -0.094 9.415 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.614 1.570 7.490 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.815 2.155 8.624 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.423 2.896 9.775 1.00 0.00 H new ATOM 546 N ILE A 41 -5.223 -0.941 6.328 1.00 0.00 N ATOM 547 CA ILE A 41 -6.068 -1.176 5.163 1.00 0.00 C ATOM 548 C ILE A 41 -6.778 -2.515 5.297 1.00 0.00 C ATOM 549 O ILE A 41 -6.164 -3.519 5.667 1.00 0.00 O ATOM 550 CB ILE A 41 -5.272 -1.171 3.837 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.532 0.153 3.650 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.202 -1.426 2.655 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.758 0.236 2.351 1.00 0.00 C ATOM 0 H ILE A 41 -4.324 -1.423 6.307 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.786 -0.357 5.129 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.535 -1.973 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.252 0.971 3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.844 0.296 4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.625 -1.419 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.685 -2.396 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.962 -0.645 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.258 1.203 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.014 -0.560 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.444 0.125 1.511 1.00 0.00 H new ATOM 564 N GLY A 42 -8.065 -2.533 4.992 1.00 0.00 N ATOM 565 CA GLY A 42 -8.820 -3.759 5.085 1.00 0.00 C ATOM 566 C GLY A 42 -9.853 -3.878 3.993 1.00 0.00 C ATOM 567 O GLY A 42 -10.278 -2.870 3.425 1.00 0.00 O ATOM 0 H GLY A 42 -8.598 -1.721 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.138 -4.608 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.313 -3.807 6.056 1.00 0.00 H new ATOM 571 N ASN A 43 -10.251 -5.109 3.693 1.00 0.00 N ATOM 572 CA ASN A 43 -11.241 -5.364 2.654 1.00 0.00 C ATOM 573 C ASN A 43 -12.025 -6.670 2.879 1.00 0.00 C ATOM 574 O ASN A 43 -12.331 -7.367 1.913 1.00 0.00 O ATOM 575 CB ASN A 43 -10.546 -5.432 1.290 1.00 0.00 C ATOM 576 CG ASN A 43 -9.355 -6.381 1.285 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.256 -7.283 2.109 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.445 -6.187 0.348 1.00 0.00 N ATOM 0 H ASN A 43 -9.902 -5.948 4.156 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.956 -4.542 2.690 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.265 -5.753 0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.212 -4.434 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.630 -6.797 0.295 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.558 -5.427 -0.323 1.00 0.00 H new ATOM 584 N PRO A 44 -12.422 -7.011 4.129 1.00 0.00 N ATOM 585 CA PRO A 44 -13.157 -8.255 4.394 1.00 0.00 C ATOM 586 C PRO A 44 -14.584 -8.179 3.869 1.00 0.00 C ATOM 587 O PRO A 44 -15.257 -9.195 3.696 1.00 0.00 O ATOM 588 CB PRO A 44 -13.160 -8.372 5.927 1.00 0.00 C ATOM 589 CG PRO A 44 -12.249 -7.296 6.421 1.00 0.00 C ATOM 590 CD PRO A 44 -12.240 -6.235 5.362 1.00 0.00 C ATOM 0 HA PRO A 44 -12.698 -9.112 3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.166 -8.246 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.812 -9.355 6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.601 -6.894 7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.245 -7.684 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.042 -5.511 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.304 -5.677 5.355 1.00 0.00 H new ATOM 595 N ASN A 45 -15.032 -6.957 3.613 1.00 0.00 N ATOM 596 CA ASN A 45 -16.375 -6.721 3.103 1.00 0.00 C ATOM 597 C ASN A 45 -16.359 -6.698 1.582 1.00 0.00 C ATOM 598 O ASN A 45 -17.399 -6.564 0.939 1.00 0.00 O ATOM 599 CB ASN A 45 -16.925 -5.391 3.628 1.00 0.00 C ATOM 600 CG ASN A 45 -16.984 -5.329 5.145 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.181 -6.339 5.815 1.00 0.00 O ATOM 602 ND2 ASN A 45 -16.802 -4.138 5.694 1.00 0.00 N ATOM 0 H ASN A 45 -14.481 -6.110 3.751 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.019 -7.530 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.301 -4.576 3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.925 -5.233 3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.823 -4.036 6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -16.641 -3.323 5.102 1.00 0.00 H new ATOM 608 N GLY A 46 -15.168 -6.830 1.011 1.00 0.00 N ATOM 609 CA GLY A 46 -15.035 -6.810 -0.427 1.00 0.00 C ATOM 610 C GLY A 46 -14.768 -5.417 -0.958 1.00 0.00 C ATOM 611 O GLY A 46 -14.794 -5.189 -2.165 1.00 0.00 O ATOM 0 H GLY A 46 -14.293 -6.950 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.222 -7.472 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.946 -7.201 -0.880 1.00 0.00 H new ATOM 615 N PHE A 47 -14.534 -4.481 -0.051 1.00 0.00 N ATOM 616 CA PHE A 47 -14.256 -3.105 -0.426 1.00 0.00 C ATOM 617 C PHE A 47 -12.956 -2.633 0.202 1.00 0.00 C ATOM 618 O PHE A 47 -12.669 -2.942 1.357 1.00 0.00 O ATOM 619 CB PHE A 47 -15.408 -2.188 -0.013 1.00 0.00 C ATOM 620 CG PHE A 47 -16.684 -2.481 -0.746 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.816 -2.148 -2.084 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.748 -3.089 -0.099 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.987 -2.417 -2.766 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.920 -3.359 -0.774 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.041 -3.022 -2.109 1.00 0.00 C ATOM 0 H PHE A 47 -14.531 -4.652 0.955 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.154 -3.063 -1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.580 -2.290 1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.122 -1.152 -0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.995 -1.673 -2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.659 -3.354 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.078 -2.155 -3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.743 -3.833 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.959 -3.231 -2.638 1.00 0.00 H new ATOM 634 N LEU A 48 -12.178 -1.894 -0.570 1.00 0.00 N ATOM 635 CA LEU A 48 -10.904 -1.368 -0.105 1.00 0.00 C ATOM 636 C LEU A 48 -11.104 -0.064 0.651 1.00 0.00 C ATOM 637 O LEU A 48 -12.031 0.696 0.360 1.00 0.00 O ATOM 638 CB LEU A 48 -9.977 -1.123 -1.295 1.00 0.00 C ATOM 639 CG LEU A 48 -9.455 -2.377 -1.990 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.633 -2.002 -3.209 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.624 -3.201 -1.028 1.00 0.00 C ATOM 0 H LEU A 48 -12.409 -1.642 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.456 -2.101 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.509 -0.517 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.124 -0.536 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.306 -2.974 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.268 -2.907 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.254 -1.441 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.786 -1.388 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.257 -4.093 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.778 -2.609 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.238 -3.495 -0.176 1.00 0.00 H new ATOM 652 N GLY A 49 -10.241 0.183 1.624 1.00 0.00 N ATOM 653 CA GLY A 49 -10.322 1.399 2.401 1.00 0.00 C ATOM 654 C GLY A 49 -9.490 1.321 3.658 1.00 0.00 C ATOM 655 O GLY A 49 -8.973 0.254 4.003 1.00 0.00 O ATOM 0 H GLY A 49 -9.481 -0.443 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.986 2.240 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.362 1.592 2.665 1.00 0.00 H new ATOM 659 N TRP A 50 -9.356 2.446 4.338 1.00 0.00 N ATOM 660 CA TRP A 50 -8.588 2.511 5.569 1.00 0.00 C ATOM 661 C TRP A 50 -9.524 2.349 6.758 1.00 0.00 C ATOM 662 O TRP A 50 -10.514 3.076 6.880 1.00 0.00 O ATOM 663 CB TRP A 50 -7.838 3.846 5.670 1.00 0.00 C ATOM 664 CG TRP A 50 -6.828 4.070 4.580 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.044 4.654 3.364 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.438 3.728 4.618 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.870 4.691 2.645 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.874 4.126 3.391 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.616 3.120 5.567 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.527 3.937 3.092 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.279 2.935 5.270 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.746 3.340 4.042 1.00 0.00 C ATOM 0 H TRP A 50 -9.773 3.333 4.056 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.854 1.705 5.570 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.563 4.660 5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.332 3.893 6.634 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -7.995 5.031 3.018 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.761 5.078 1.707 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.017 2.800 6.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.115 4.251 2.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.634 2.469 6.000 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.697 3.178 3.840 1.00 0.00 H new ATOM 682 N GLY A 51 -9.220 1.392 7.617 1.00 0.00 N ATOM 683 CA GLY A 51 -10.046 1.146 8.778 1.00 0.00 C ATOM 684 C GLY A 51 -9.776 -0.210 9.395 1.00 0.00 C ATOM 685 O GLY A 51 -9.425 -0.301 10.572 1.00 0.00 O ATOM 0 H GLY A 51 -8.411 0.777 7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.867 1.923 9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.097 1.212 8.495 1.00 0.00 H new ATOM 689 N MET A 52 -9.939 -1.264 8.604 1.00 0.00 N ATOM 690 CA MET A 52 -9.703 -2.622 9.083 1.00 0.00 C ATOM 691 C MET A 52 -8.247 -3.013 8.824 1.00 0.00 C ATOM 692 O MET A 52 -7.424 -2.155 8.528 1.00 0.00 O ATOM 693 CB MET A 52 -10.658 -3.600 8.391 1.00 0.00 C ATOM 694 CG MET A 52 -11.094 -4.765 9.270 1.00 0.00 C ATOM 695 SD MET A 52 -12.515 -4.380 10.324 1.00 0.00 S ATOM 696 CE MET A 52 -11.872 -3.074 11.372 1.00 0.00 C ATOM 0 H MET A 52 -10.233 -1.205 7.629 1.00 0.00 H new ATOM 0 HA MET A 52 -9.891 -2.663 10.156 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.543 -3.056 8.061 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.174 -3.994 7.497 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.342 -5.616 8.636 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.257 -5.069 9.898 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.526 -2.945 12.235 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.871 -3.340 11.712 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.828 -2.143 10.807 1.00 0.00 H new ATOM 704 N GLN A 53 -7.927 -4.297 8.932 1.00 0.00 N ATOM 705 CA GLN A 53 -6.556 -4.748 8.721 1.00 0.00 C ATOM 706 C GLN A 53 -6.510 -6.089 7.992 1.00 0.00 C ATOM 707 O GLN A 53 -7.544 -6.731 7.793 1.00 0.00 O ATOM 708 CB GLN A 53 -5.836 -4.874 10.067 1.00 0.00 C ATOM 709 CG GLN A 53 -6.501 -5.854 11.022 1.00 0.00 C ATOM 710 CD GLN A 53 -5.722 -6.048 12.306 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.496 -5.938 12.331 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.430 -6.337 13.386 1.00 0.00 N ATOM 0 H GLN A 53 -8.590 -5.038 9.162 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.055 -4.006 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.808 -5.191 9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.791 -3.893 10.539 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.503 -5.497 11.261 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.616 -6.817 10.524 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.445 -6.419 13.324 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.961 -6.477 14.281 1.00 0.00 H new ATOM 719 N ASN A 54 -5.296 -6.491 7.603 1.00 0.00 N ATOM 720 CA ASN A 54 -5.054 -7.765 6.913 1.00 0.00 C ATOM 721 C ASN A 54 -5.746 -7.838 5.556 1.00 0.00 C ATOM 722 O ASN A 54 -6.189 -8.910 5.138 1.00 0.00 O ATOM 723 CB ASN A 54 -5.497 -8.951 7.779 1.00 0.00 C ATOM 724 CG ASN A 54 -4.473 -9.327 8.831 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.597 -8.744 10.012 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.588 -10.147 8.584 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.450 -5.942 7.757 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.979 -7.820 6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.440 -8.705 8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.685 -9.812 7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.530 -10.572 7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.913 -10.401 9.305 1.00 0.00 H new ATOM 732 N PHE A 55 -5.799 -6.714 4.850 1.00 0.00 N ATOM 733 CA PHE A 55 -6.445 -6.666 3.540 1.00 0.00 C ATOM 734 C PHE A 55 -5.761 -7.605 2.547 1.00 0.00 C ATOM 735 O PHE A 55 -6.387 -8.094 1.613 1.00 0.00 O ATOM 736 CB PHE A 55 -6.445 -5.237 2.980 1.00 0.00 C ATOM 737 CG PHE A 55 -5.140 -4.806 2.362 1.00 0.00 C ATOM 738 CD1 PHE A 55 -4.062 -4.453 3.155 1.00 0.00 C ATOM 739 CD2 PHE A 55 -5.002 -4.745 0.984 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.869 -4.051 2.586 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.811 -4.345 0.410 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.743 -3.998 1.213 1.00 0.00 C ATOM 0 H PHE A 55 -5.404 -5.826 5.160 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.475 -6.995 3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.232 -5.155 2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.697 -4.546 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.154 -4.492 4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.835 -5.013 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.035 -3.778 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.715 -4.304 -0.665 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.810 -3.686 0.767 1.00 0.00 H new ATOM 751 N SER A 56 -4.475 -7.856 2.758 1.00 0.00 N ATOM 752 CA SER A 56 -3.704 -8.715 1.873 1.00 0.00 C ATOM 753 C SER A 56 -4.240 -10.147 1.853 1.00 0.00 C ATOM 754 O SER A 56 -4.163 -10.827 0.831 1.00 0.00 O ATOM 755 CB SER A 56 -2.239 -8.706 2.298 1.00 0.00 C ATOM 756 OG SER A 56 -1.768 -7.377 2.432 1.00 0.00 O ATOM 0 H SER A 56 -3.943 -7.474 3.540 1.00 0.00 H new ATOM 0 HA SER A 56 -3.796 -8.321 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.126 -9.235 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.638 -9.238 1.561 1.00 0.00 H new ATOM 0 HG SER A 56 -1.131 -7.181 1.713 1.00 0.00 H new ATOM 761 N HIS A 57 -4.815 -10.596 2.965 1.00 0.00 N ATOM 762 CA HIS A 57 -5.337 -11.958 3.038 1.00 0.00 C ATOM 763 C HIS A 57 -6.724 -12.049 2.418 1.00 0.00 C ATOM 764 O HIS A 57 -7.304 -13.128 2.326 1.00 0.00 O ATOM 765 CB HIS A 57 -5.363 -12.466 4.473 1.00 0.00 C ATOM 766 CG HIS A 57 -3.996 -12.659 5.047 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.614 -12.115 6.245 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.918 -13.330 4.577 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.358 -12.436 6.496 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.912 -13.173 5.499 1.00 0.00 N ATOM 0 H HIS A 57 -4.931 -10.047 3.817 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.663 -12.595 2.465 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.915 -11.760 5.093 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.903 -13.412 4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.860 -13.884 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.793 -12.144 7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.973 -13.563 5.424 1.00 0.00 H new ATOM 778 N SER A 58 -7.252 -10.912 2.006 1.00 0.00 N ATOM 779 CA SER A 58 -8.560 -10.865 1.383 1.00 0.00 C ATOM 780 C SER A 58 -8.499 -10.060 0.086 1.00 0.00 C ATOM 781 O SER A 58 -9.471 -9.430 -0.321 1.00 0.00 O ATOM 782 CB SER A 58 -9.583 -10.266 2.349 1.00 0.00 C ATOM 783 OG SER A 58 -9.613 -10.989 3.572 1.00 0.00 O ATOM 0 H SER A 58 -6.793 -10.005 2.092 1.00 0.00 H new ATOM 0 HA SER A 58 -8.873 -11.880 1.140 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.336 -9.223 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.572 -10.278 1.891 1.00 0.00 H new ATOM 0 HG SER A 58 -10.273 -10.586 4.174 1.00 0.00 H new ATOM 788 N SER A 59 -7.340 -10.082 -0.562 1.00 0.00 N ATOM 789 CA SER A 59 -7.159 -9.369 -1.819 1.00 0.00 C ATOM 790 C SER A 59 -6.305 -10.183 -2.779 1.00 0.00 C ATOM 791 O SER A 59 -5.497 -11.018 -2.360 1.00 0.00 O ATOM 792 CB SER A 59 -6.531 -7.995 -1.580 1.00 0.00 C ATOM 793 OG SER A 59 -5.358 -8.101 -0.802 1.00 0.00 O ATOM 0 H SER A 59 -6.514 -10.585 -0.238 1.00 0.00 H new ATOM 0 HA SER A 59 -8.141 -9.223 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.296 -7.528 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.248 -7.347 -1.076 1.00 0.00 H new ATOM 0 HG SER A 59 -5.596 -8.348 0.116 1.00 0.00 H new ATOM 798 N GLU A 60 -6.506 -9.955 -4.066 1.00 0.00 N ATOM 799 CA GLU A 60 -5.766 -10.665 -5.097 1.00 0.00 C ATOM 800 C GLU A 60 -5.085 -9.678 -6.038 1.00 0.00 C ATOM 801 O GLU A 60 -5.669 -8.653 -6.389 1.00 0.00 O ATOM 802 CB GLU A 60 -6.716 -11.579 -5.869 1.00 0.00 C ATOM 803 CG GLU A 60 -7.533 -12.480 -4.958 1.00 0.00 C ATOM 804 CD GLU A 60 -8.552 -13.316 -5.695 1.00 0.00 C ATOM 805 OE1 GLU A 60 -9.027 -12.882 -6.763 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.886 -14.412 -5.202 1.00 0.00 O ATOM 0 H GLU A 60 -7.180 -9.279 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.992 -11.273 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.391 -10.970 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.140 -12.194 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.858 -13.140 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.045 -11.866 -4.217 1.00 0.00 H new ATOM 811 N ASP A 61 -3.851 -9.993 -6.417 1.00 0.00 N ATOM 812 CA ASP A 61 -3.047 -9.157 -7.314 1.00 0.00 C ATOM 813 C ASP A 61 -2.849 -7.754 -6.745 1.00 0.00 C ATOM 814 O ASP A 61 -3.451 -6.783 -7.204 1.00 0.00 O ATOM 815 CB ASP A 61 -3.662 -9.086 -8.720 1.00 0.00 C ATOM 816 CG ASP A 61 -2.825 -8.255 -9.685 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.630 -8.577 -9.882 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.359 -7.287 -10.262 1.00 0.00 O ATOM 0 H ASP A 61 -3.373 -10.841 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.068 -9.629 -7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.771 -10.096 -9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.663 -8.660 -8.653 1.00 0.00 H new ATOM 822 N ILE A 62 -2.011 -7.660 -5.728 1.00 0.00 N ATOM 823 CA ILE A 62 -1.708 -6.383 -5.105 1.00 0.00 C ATOM 824 C ILE A 62 -0.556 -5.724 -5.851 1.00 0.00 C ATOM 825 O ILE A 62 0.531 -6.295 -5.949 1.00 0.00 O ATOM 826 CB ILE A 62 -1.335 -6.560 -3.621 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.497 -7.207 -2.861 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.963 -5.221 -3.000 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.183 -7.516 -1.413 1.00 0.00 C ATOM 0 H ILE A 62 -1.526 -8.456 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.596 -5.753 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.467 -7.216 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.360 -6.543 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.780 -8.130 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.703 -5.366 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.110 -4.798 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.810 -4.539 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.053 -7.972 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.340 -8.205 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.929 -6.593 -0.891 1.00 0.00 H new ATOM 840 N LYS A 63 -0.793 -4.545 -6.401 1.00 0.00 N ATOM 841 CA LYS A 63 0.238 -3.855 -7.157 1.00 0.00 C ATOM 842 C LYS A 63 0.084 -2.341 -7.038 1.00 0.00 C ATOM 843 O LYS A 63 -0.977 -1.847 -6.679 1.00 0.00 O ATOM 844 CB LYS A 63 0.152 -4.302 -8.617 1.00 0.00 C ATOM 845 CG LYS A 63 1.494 -4.366 -9.322 1.00 0.00 C ATOM 846 CD LYS A 63 1.600 -5.593 -10.225 1.00 0.00 C ATOM 847 CE LYS A 63 1.767 -6.889 -9.428 1.00 0.00 C ATOM 848 NZ LYS A 63 0.508 -7.337 -8.763 1.00 0.00 N ATOM 0 H LYS A 63 -1.682 -4.049 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 63 1.218 -4.109 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.316 -5.286 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.499 -3.616 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.636 -3.463 -9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.293 -4.389 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.706 -5.663 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.447 -5.472 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.117 -7.676 -10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.539 -6.746 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.603 -8.332 -8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.330 -6.748 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.287 -7.244 -9.427 1.00 0.00 H new ATOM 858 N LEU A 64 1.157 -1.615 -7.316 1.00 0.00 N ATOM 859 CA LEU A 64 1.143 -0.155 -7.243 1.00 0.00 C ATOM 860 C LEU A 64 0.982 0.460 -8.632 1.00 0.00 C ATOM 861 O LEU A 64 1.778 0.201 -9.532 1.00 0.00 O ATOM 862 CB LEU A 64 2.435 0.345 -6.592 1.00 0.00 C ATOM 863 CG LEU A 64 2.565 0.037 -5.102 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.986 0.305 -4.625 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.573 0.870 -4.308 1.00 0.00 C ATOM 0 H LEU A 64 2.054 -2.012 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 64 0.292 0.152 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.283 -0.097 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.501 1.424 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 64 2.343 -1.018 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.061 0.080 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.681 -0.326 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.235 1.353 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.674 0.643 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.773 1.929 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.559 0.637 -4.634 1.00 0.00 H new ATOM 876 N GLU A 65 -0.052 1.287 -8.792 1.00 0.00 N ATOM 877 CA GLU A 65 -0.332 1.943 -10.073 1.00 0.00 C ATOM 878 C GLU A 65 0.524 3.184 -10.262 1.00 0.00 C ATOM 879 O GLU A 65 1.325 3.263 -11.190 1.00 0.00 O ATOM 880 CB GLU A 65 -1.802 2.345 -10.158 1.00 0.00 C ATOM 881 CG GLU A 65 -2.760 1.176 -10.099 1.00 0.00 C ATOM 882 CD GLU A 65 -2.572 0.206 -11.249 1.00 0.00 C ATOM 883 OE1 GLU A 65 -2.976 0.537 -12.382 1.00 0.00 O ATOM 884 OE2 GLU A 65 -2.016 -0.889 -11.027 1.00 0.00 O ATOM 0 H GLU A 65 -0.712 1.520 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.095 1.226 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.029 3.030 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.966 2.891 -11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.623 0.646 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.784 1.550 -10.108 1.00 0.00 H new ATOM 889 N GLU A 66 0.356 4.152 -9.369 1.00 0.00 N ATOM 890 CA GLU A 66 1.110 5.400 -9.439 1.00 0.00 C ATOM 891 C GLU A 66 2.540 5.211 -8.949 1.00 0.00 C ATOM 892 O GLU A 66 3.250 6.182 -8.688 1.00 0.00 O ATOM 893 CB GLU A 66 0.435 6.486 -8.608 1.00 0.00 C ATOM 894 CG GLU A 66 -1.006 6.750 -8.985 1.00 0.00 C ATOM 895 CD GLU A 66 -1.602 7.910 -8.209 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.310 9.075 -8.558 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.350 7.664 -7.245 1.00 0.00 O ATOM 0 H GLU A 66 -0.296 4.098 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 66 1.133 5.705 -10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.477 6.202 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.001 7.412 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.067 6.961 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.597 5.852 -8.803 1.00 0.00 H new ATOM 902 N GLY A 67 2.945 3.963 -8.805 1.00 0.00 N ATOM 903 CA GLY A 67 4.284 3.667 -8.344 1.00 0.00 C ATOM 904 C GLY A 67 4.438 3.874 -6.854 1.00 0.00 C ATOM 905 O GLY A 67 5.550 4.024 -6.359 1.00 0.00 O ATOM 0 H GLY A 67 2.369 3.144 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.531 2.635 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.996 4.301 -8.872 1.00 0.00 H new ATOM 909 N GLY A 68 3.320 3.904 -6.137 1.00 0.00 N ATOM 910 CA GLY A 68 3.385 4.085 -4.701 1.00 0.00 C ATOM 911 C GLY A 68 2.347 5.054 -4.182 1.00 0.00 C ATOM 912 O GLY A 68 2.053 5.079 -2.992 1.00 0.00 O ATOM 0 H GLY A 68 2.380 3.807 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.251 3.120 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.378 4.444 -4.430 1.00 0.00 H new ATOM 916 N ARG A 69 1.779 5.852 -5.070 1.00 0.00 N ATOM 917 CA ARG A 69 0.772 6.819 -4.664 1.00 0.00 C ATOM 918 C ARG A 69 -0.590 6.137 -4.574 1.00 0.00 C ATOM 919 O ARG A 69 -1.512 6.638 -3.933 1.00 0.00 O ATOM 920 CB ARG A 69 0.716 7.967 -5.670 1.00 0.00 C ATOM 921 CG ARG A 69 0.215 9.284 -5.101 1.00 0.00 C ATOM 922 CD ARG A 69 1.371 10.231 -4.814 1.00 0.00 C ATOM 923 NE ARG A 69 2.203 10.446 -6.002 1.00 0.00 N ATOM 924 CZ ARG A 69 2.498 11.639 -6.516 1.00 0.00 C ATOM 925 NH1 ARG A 69 2.054 12.751 -5.948 1.00 0.00 N ATOM 926 NH2 ARG A 69 3.248 11.713 -7.608 1.00 0.00 N ATOM 0 H ARG A 69 1.994 5.851 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 69 1.036 7.220 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.713 8.120 -6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.070 7.675 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.474 9.749 -5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.344 9.098 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.980 11.187 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.984 9.824 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 69 2.583 9.623 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.479 12.700 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.287 13.658 -6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.594 10.860 -8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.478 12.623 -8.008 1.00 0.00 H new ATOM 937 N LYS A 70 -0.697 4.973 -5.208 1.00 0.00 N ATOM 938 CA LYS A 70 -1.941 4.223 -5.218 1.00 0.00 C ATOM 939 C LYS A 70 -1.673 2.728 -5.333 1.00 0.00 C ATOM 940 O LYS A 70 -0.833 2.298 -6.130 1.00 0.00 O ATOM 941 CB LYS A 70 -2.810 4.679 -6.388 1.00 0.00 C ATOM 942 CG LYS A 70 -4.248 4.192 -6.306 1.00 0.00 C ATOM 943 CD LYS A 70 -5.110 4.801 -7.398 1.00 0.00 C ATOM 944 CE LYS A 70 -5.188 6.315 -7.270 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.100 6.907 -8.281 1.00 0.00 N ATOM 0 H LYS A 70 0.066 4.531 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.462 4.410 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.806 5.768 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.367 4.323 -7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.270 3.105 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.663 4.446 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.702 4.538 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.114 4.379 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.534 6.578 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.192 6.741 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.127 7.940 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.756 6.677 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.057 6.519 -8.155 1.00 0.00 H new ATOM 955 N LEU A 71 -2.400 1.951 -4.545 1.00 0.00 N ATOM 956 CA LEU A 71 -2.272 0.501 -4.536 1.00 0.00 C ATOM 957 C LEU A 71 -3.569 -0.128 -5.039 1.00 0.00 C ATOM 958 O LEU A 71 -4.656 0.216 -4.576 1.00 0.00 O ATOM 959 CB LEU A 71 -1.945 0.022 -3.113 1.00 0.00 C ATOM 960 CG LEU A 71 -1.754 -1.487 -2.923 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.817 -1.748 -1.753 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.089 -2.177 -2.675 1.00 0.00 C ATOM 0 H LEU A 71 -3.097 2.309 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.461 0.196 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.035 0.524 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.746 0.350 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.319 -1.894 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.686 -2.822 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.150 -1.286 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.243 -1.323 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.927 -3.247 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.549 -1.767 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.748 -2.012 -3.528 1.00 0.00 H new ATOM 973 N THR A 72 -3.457 -1.028 -5.995 1.00 0.00 N ATOM 974 CA THR A 72 -4.617 -1.698 -6.552 1.00 0.00 C ATOM 975 C THR A 72 -4.573 -3.193 -6.282 1.00 0.00 C ATOM 976 O THR A 72 -3.512 -3.821 -6.338 1.00 0.00 O ATOM 977 CB THR A 72 -4.723 -1.467 -8.064 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.428 -1.615 -8.660 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.292 -0.090 -8.362 1.00 0.00 C ATOM 0 H THR A 72 -2.568 -1.314 -6.405 1.00 0.00 H new ATOM 0 HA THR A 72 -5.492 -1.270 -6.063 1.00 0.00 H new ATOM 0 HB THR A 72 -5.402 -2.207 -8.488 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.526 -1.944 -9.578 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.358 0.051 -9.441 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.286 -0.005 -7.924 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.641 0.673 -7.936 1.00 0.00 H new ATOM 987 N CYS A 73 -5.729 -3.741 -5.964 1.00 0.00 N ATOM 988 CA CYS A 73 -5.873 -5.158 -5.695 1.00 0.00 C ATOM 989 C CYS A 73 -7.342 -5.531 -5.772 1.00 0.00 C ATOM 990 O CYS A 73 -8.208 -4.656 -5.770 1.00 0.00 O ATOM 991 CB CYS A 73 -5.305 -5.503 -4.317 1.00 0.00 C ATOM 992 SG CYS A 73 -5.960 -4.493 -2.970 1.00 0.00 S ATOM 0 H CYS A 73 -6.599 -3.214 -5.885 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.315 -5.726 -6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.512 -6.552 -4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.221 -5.392 -4.345 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.420 -4.864 -1.847 1.00 0.00 H new ATOM 997 N ARG A 74 -7.630 -6.812 -5.876 1.00 0.00 N ATOM 998 CA ARG A 74 -9.006 -7.262 -5.936 1.00 0.00 C ATOM 999 C ARG A 74 -9.453 -7.753 -4.568 1.00 0.00 C ATOM 1000 O ARG A 74 -9.115 -8.866 -4.164 1.00 0.00 O ATOM 1001 CB ARG A 74 -9.177 -8.379 -6.967 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.596 -8.925 -7.031 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.659 -10.271 -7.737 1.00 0.00 C ATOM 1004 NE ARG A 74 -12.038 -10.723 -7.912 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.474 -11.954 -7.634 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.650 -12.872 -7.142 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.745 -12.269 -7.851 1.00 0.00 N ATOM 0 H ARG A 74 -6.934 -7.557 -5.921 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.625 -6.417 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.895 -8.003 -7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.492 -9.193 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.991 -9.027 -6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.235 -8.212 -7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.174 -10.195 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.103 -11.011 -7.161 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.715 -10.050 -8.272 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.671 -12.640 -6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.996 -13.809 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.386 -11.571 -8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.081 -13.209 -7.640 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.190 -6.919 -3.830 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.703 -7.285 -2.519 1.00 0.00 C ATOM 1020 C PRO A 75 -11.771 -8.348 -2.663 1.00 0.00 C ATOM 1021 O PRO A 75 -12.796 -8.127 -3.315 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.298 -5.985 -1.982 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.637 -5.204 -3.197 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.595 -5.562 -4.219 1.00 0.00 C ATOM 0 HA PRO A 75 -9.941 -7.696 -1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.181 -6.175 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.585 -5.452 -1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.636 -5.452 -3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.629 -4.134 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.999 -5.538 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.754 -4.869 -4.195 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.505 -9.508 -2.097 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.419 -10.622 -2.170 1.00 0.00 C ATOM 1031 C LYS A 76 -12.871 -11.063 -0.788 1.00 0.00 C ATOM 1032 O LYS A 76 -12.102 -11.024 0.170 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.765 -11.776 -2.938 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.291 -11.989 -2.603 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.085 -12.815 -1.341 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.071 -14.306 -1.636 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.926 -14.698 -2.504 1.00 0.00 N ATOM 0 H LYS A 76 -10.650 -9.701 -1.575 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.312 -10.305 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.311 -12.695 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.860 -11.587 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.801 -12.486 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.808 -11.020 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.145 -12.529 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.879 -12.593 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.020 -14.859 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.005 -14.587 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.544 -15.611 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.250 -14.785 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.183 -13.973 -2.447 1.00 0.00 H new ATOM 1047 N THR A 77 -14.129 -11.465 -0.689 1.00 0.00 N ATOM 1048 CA THR A 77 -14.670 -11.925 0.575 1.00 0.00 C ATOM 1049 C THR A 77 -14.040 -13.257 0.924 1.00 0.00 C ATOM 1050 O THR A 77 -13.939 -14.145 0.069 1.00 0.00 O ATOM 1051 CB THR A 77 -16.207 -12.087 0.550 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.666 -12.545 1.827 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.643 -13.077 -0.517 1.00 0.00 C ATOM 0 H THR A 77 -14.789 -11.481 -1.466 1.00 0.00 H new ATOM 0 HA THR A 77 -14.437 -11.167 1.322 1.00 0.00 H new ATOM 0 HB THR A 77 -16.641 -11.114 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.641 -12.645 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.729 -13.167 -0.507 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.317 -12.725 -1.495 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.196 -14.050 -0.315 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.626 -13.381 2.174 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.986 -14.587 2.670 1.00 0.00 C ATOM 1063 C VAL A 78 -13.994 -15.735 2.795 1.00 0.00 C ATOM 1064 O VAL A 78 -13.619 -16.898 2.950 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.309 -14.319 4.035 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -13.341 -14.029 5.117 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -11.404 -15.475 4.439 1.00 0.00 C ATOM 0 H VAL A 78 -13.725 -12.646 2.875 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.222 -14.881 1.950 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.686 -13.432 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.833 -13.845 6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.922 -13.149 4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.007 -14.885 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.943 -15.257 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.994 -16.388 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.627 -15.609 3.687 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.279 -15.401 2.694 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.344 -16.395 2.803 1.00 0.00 C ATOM 1079 C ASP A 79 -16.378 -17.313 1.587 1.00 0.00 C ATOM 1080 O ASP A 79 -16.997 -18.372 1.621 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.706 -15.719 2.983 1.00 0.00 C ATOM 1082 CG ASP A 79 -17.856 -15.058 4.334 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -17.927 -15.781 5.350 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -17.904 -13.814 4.392 1.00 0.00 O ATOM 0 H ASP A 79 -15.608 -14.448 2.537 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.131 -17.001 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.842 -14.972 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.495 -16.461 2.857 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.728 -16.897 0.511 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.692 -17.714 -0.688 1.00 0.00 C ATOM 1090 C GLY A 80 -14.518 -17.381 -1.585 1.00 0.00 C ATOM 1091 O GLY A 80 -14.001 -18.245 -2.290 1.00 0.00 O ATOM 0 H GLY A 80 -15.226 -16.012 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.642 -18.765 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.619 -17.578 -1.244 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.092 -16.128 -1.554 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.982 -15.698 -2.374 1.00 0.00 C ATOM 1097 C GLY A 81 -13.444 -14.944 -3.597 1.00 0.00 C ATOM 1098 O GLY A 81 -12.686 -14.749 -4.543 1.00 0.00 O ATOM 0 H GLY A 81 -14.499 -15.397 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.320 -15.063 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.400 -16.567 -2.682 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.692 -14.511 -3.565 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.285 -13.791 -4.692 1.00 0.00 C ATOM 1104 C PHE A 82 -15.551 -12.348 -4.309 1.00 0.00 C ATOM 1105 O PHE A 82 -15.656 -12.064 -3.120 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.583 -14.479 -5.135 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.485 -14.857 -3.991 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.433 -13.970 -3.505 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.371 -16.100 -3.393 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.246 -14.319 -2.443 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.178 -16.449 -2.330 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.114 -15.560 -1.853 1.00 0.00 C ATOM 0 H PHE A 82 -15.320 -14.643 -2.772 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.584 -13.804 -5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.124 -13.816 -5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.334 -15.376 -5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.537 -12.996 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.641 -16.805 -3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.984 -13.621 -2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.075 -17.421 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.744 -15.833 -1.019 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.637 -11.456 -5.310 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.923 -10.031 -5.089 1.00 0.00 C ATOM 1123 C ARG A 83 -15.575 -9.201 -6.325 1.00 0.00 C ATOM 1124 O ARG A 83 -15.609 -9.706 -7.449 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.151 -9.501 -3.896 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.992 -8.731 -2.888 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.939 -9.651 -2.126 1.00 0.00 C ATOM 1128 NE ARG A 83 -18.105 -10.023 -2.926 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.195 -10.619 -2.447 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.323 -10.843 -1.144 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.171 -10.964 -3.275 1.00 0.00 N ATOM 0 H ARG A 83 -15.510 -11.703 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.991 -9.943 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.674 -10.339 -3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.353 -8.851 -4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.337 -8.218 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.568 -7.963 -3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.404 -10.552 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.269 -9.155 -1.213 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.082 -9.811 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.583 -10.558 -0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.161 -11.300 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.085 -10.773 -4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.008 -11.421 -2.914 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.213 -7.934 -6.104 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.896 -7.012 -7.194 1.00 0.00 C ATOM 1144 C GLU A 84 -13.513 -6.393 -7.007 1.00 0.00 C ATOM 1145 O GLU A 84 -13.035 -6.260 -5.884 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.965 -5.911 -7.237 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.731 -4.835 -8.286 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.808 -5.367 -9.701 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -14.798 -5.912 -10.193 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -16.877 -5.233 -10.331 1.00 0.00 O ATOM 0 H GLU A 84 -15.132 -7.523 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.888 -7.563 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.935 -6.373 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.018 -5.437 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.470 -4.044 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.752 -4.384 -8.125 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.882 -6.012 -8.110 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.558 -5.399 -8.068 1.00 0.00 C ATOM 1157 C ARG A 85 -11.687 -3.907 -7.800 1.00 0.00 C ATOM 1158 O ARG A 85 -12.627 -3.264 -8.268 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.817 -5.628 -9.383 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.359 -5.193 -9.360 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.709 -5.383 -10.720 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.315 -4.948 -10.736 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.766 -4.240 -11.721 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.496 -3.857 -12.764 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.483 -3.913 -11.659 1.00 0.00 N ATOM 0 H ARG A 85 -13.266 -6.117 -9.049 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.987 -5.862 -7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.865 -6.688 -9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.333 -5.088 -10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.294 -4.146 -9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.816 -5.769 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.762 -6.435 -11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.270 -4.824 -11.469 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.725 -5.202 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.484 -4.105 -12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.068 -3.315 -13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.921 -4.204 -10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.058 -3.371 -12.411 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.727 -3.358 -7.073 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.748 -1.939 -6.710 1.00 0.00 C ATOM 1178 C GLN A 86 -9.338 -1.377 -6.541 1.00 0.00 C ATOM 1179 O GLN A 86 -8.346 -2.084 -6.720 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.538 -1.749 -5.409 1.00 0.00 C ATOM 1181 CG GLN A 86 -13.046 -1.772 -5.593 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.782 -2.075 -4.304 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -14.113 -1.178 -3.529 1.00 0.00 O ATOM 1184 NE2 GLN A 86 -14.044 -3.350 -4.070 1.00 0.00 N ATOM 0 H GLN A 86 -9.919 -3.870 -6.719 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.230 -1.395 -7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.256 -2.534 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.252 -0.799 -4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.377 -0.808 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.306 -2.521 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.752 -4.062 -4.739 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.539 -3.621 -3.220 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.267 -0.094 -6.204 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.993 0.566 -5.989 1.00 0.00 C ATOM 1193 C GLY A 87 -8.059 1.533 -4.822 1.00 0.00 C ATOM 1194 O GLY A 87 -9.072 2.204 -4.628 1.00 0.00 O ATOM 0 H GLY A 87 -10.081 0.507 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.222 -0.181 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.703 1.103 -6.892 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.987 1.610 -4.049 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.939 2.490 -2.889 1.00 0.00 C ATOM 1200 C ILE A 88 -5.735 3.429 -2.964 1.00 0.00 C ATOM 1201 O ILE A 88 -4.630 3.018 -3.325 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.899 1.673 -1.572 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.816 2.600 -0.356 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.737 0.686 -1.576 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -6.904 1.872 0.968 1.00 0.00 C ATOM 0 H ILE A 88 -6.135 1.072 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.848 3.092 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.826 1.104 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.878 3.154 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.621 3.333 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.732 0.126 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.849 -0.004 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.798 1.230 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.838 2.592 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.854 1.340 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.083 1.159 1.046 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.961 4.695 -2.638 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.901 5.696 -2.669 1.00 0.00 C ATOM 1218 C ASP A 89 -4.048 5.609 -1.407 1.00 0.00 C ATOM 1219 O ASP A 89 -4.560 5.370 -0.309 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.482 7.108 -2.819 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.021 7.673 -1.518 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.213 7.456 -1.217 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.253 8.343 -0.795 1.00 0.00 O ATOM 0 H ASP A 89 -6.871 5.054 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.271 5.492 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.709 7.773 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.283 7.088 -3.558 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.746 5.788 -1.566 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.827 5.725 -0.439 1.00 0.00 C ATOM 1229 C LEU A 90 -1.314 7.107 -0.080 1.00 0.00 C ATOM 1230 O LEU A 90 -0.121 7.316 0.144 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.663 4.813 -0.768 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.056 3.427 -1.250 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.189 2.634 -1.547 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -1.930 2.722 -0.222 1.00 0.00 C ATOM 0 H LEU A 90 -2.301 5.978 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.367 5.325 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.052 5.289 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.038 4.710 0.119 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.644 3.516 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.088 1.638 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.767 3.140 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.791 2.549 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.198 1.732 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.382 2.625 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.836 3.304 -0.054 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.231 8.044 -0.010 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.901 9.425 0.329 1.00 0.00 C ATOM 1247 C ASN A 91 -1.729 9.582 1.836 1.00 0.00 C ATOM 1248 O ASN A 91 -1.510 10.681 2.345 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.974 10.381 -0.202 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.862 10.599 -1.702 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.477 9.724 -2.481 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.226 11.550 -2.157 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.223 7.881 -0.184 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.954 9.680 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.961 9.982 0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.888 11.340 0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.765 12.204 -1.525 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.160 11.684 -3.166 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.828 8.462 2.542 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.686 8.439 3.991 1.00 0.00 C ATOM 1260 C ARG A 92 -0.285 8.015 4.405 1.00 0.00 C ATOM 1261 O ARG A 92 0.105 8.182 5.558 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.691 7.473 4.602 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.128 7.920 4.474 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.010 7.133 5.418 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.840 7.553 6.805 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.848 7.702 7.657 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -7.100 7.567 7.233 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.599 8.029 8.917 1.00 0.00 N ATOM 0 H ARG A 92 -2.008 7.548 2.127 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.870 9.450 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.580 6.499 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.455 7.339 5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.206 8.984 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.469 7.782 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.053 7.257 5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.778 6.072 5.330 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.895 7.743 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.286 7.349 6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.875 7.681 7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.637 8.165 9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.369 8.145 9.576 1.00 0.00 H new ATOM 1279 N ILE A 93 0.464 7.452 3.472 1.00 0.00 N ATOM 1280 CA ILE A 93 1.810 6.991 3.766 1.00 0.00 C ATOM 1281 C ILE A 93 2.813 8.080 3.407 1.00 0.00 C ATOM 1282 O ILE A 93 3.187 8.250 2.244 1.00 0.00 O ATOM 1283 CB ILE A 93 2.122 5.672 3.014 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.964 4.683 3.182 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.412 5.038 3.526 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.612 4.409 4.632 1.00 0.00 C ATOM 0 H ILE A 93 0.164 7.304 2.508 1.00 0.00 H new ATOM 0 HA ILE A 93 1.887 6.782 4.833 1.00 0.00 H new ATOM 0 HB ILE A 93 2.249 5.910 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.085 5.074 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.225 3.743 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.605 4.115 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.242 5.729 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.312 4.817 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.215 3.701 4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.478 3.989 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.320 5.340 5.118 1.00 0.00 H new ATOM 1297 N GLN A 94 3.226 8.830 4.419 1.00 0.00 N ATOM 1298 CA GLN A 94 4.157 9.934 4.243 1.00 0.00 C ATOM 1299 C GLN A 94 5.531 9.583 4.802 1.00 0.00 C ATOM 1300 O GLN A 94 5.648 8.911 5.828 1.00 0.00 O ATOM 1301 CB GLN A 94 3.613 11.181 4.951 1.00 0.00 C ATOM 1302 CG GLN A 94 4.486 12.425 4.808 1.00 0.00 C ATOM 1303 CD GLN A 94 4.376 13.076 3.441 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.525 13.939 3.223 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.251 12.696 2.522 1.00 0.00 N ATOM 0 H GLN A 94 2.925 8.690 5.384 1.00 0.00 H new ATOM 0 HA GLN A 94 4.262 10.132 3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.621 11.402 4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.493 10.957 6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.204 13.149 5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.526 12.155 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.941 11.977 2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.235 13.122 1.595 1.00 0.00 H new ATOM 1312 N ASN A 95 6.565 10.025 4.106 1.00 0.00 N ATOM 1313 CA ASN A 95 7.935 9.796 4.529 1.00 0.00 C ATOM 1314 C ASN A 95 8.463 11.000 5.310 1.00 0.00 C ATOM 1315 O ASN A 95 8.501 12.122 4.803 1.00 0.00 O ATOM 1316 CB ASN A 95 8.846 9.509 3.323 1.00 0.00 C ATOM 1317 CG ASN A 95 8.801 10.596 2.255 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.760 11.213 2.011 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.930 10.839 1.612 1.00 0.00 N ATOM 0 H ASN A 95 6.479 10.550 3.236 1.00 0.00 H new ATOM 0 HA ASN A 95 7.942 8.922 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.872 9.396 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.555 8.559 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.960 11.556 0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.771 10.309 1.840 1.00 0.00 H new ATOM 1325 N VAL A 96 8.837 10.756 6.554 1.00 0.00 N ATOM 1326 CA VAL A 96 9.376 11.784 7.430 1.00 0.00 C ATOM 1327 C VAL A 96 10.866 11.532 7.647 1.00 0.00 C ATOM 1328 O VAL A 96 11.248 10.536 8.261 1.00 0.00 O ATOM 1329 CB VAL A 96 8.653 11.796 8.794 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.195 12.902 9.682 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.151 11.949 8.602 1.00 0.00 C ATOM 0 H VAL A 96 8.775 9.835 6.988 1.00 0.00 H new ATOM 0 HA VAL A 96 9.222 12.753 6.955 1.00 0.00 H new ATOM 0 HB VAL A 96 8.841 10.842 9.287 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.671 12.891 10.638 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.260 12.744 9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.044 13.866 9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.659 11.955 9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.944 12.886 8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.773 11.116 8.009 1.00 0.00 H new ATOM 1341 N ASN A 97 11.697 12.427 7.117 1.00 0.00 N ATOM 1342 CA ASN A 97 13.151 12.315 7.218 1.00 0.00 C ATOM 1343 C ASN A 97 13.631 11.018 6.590 1.00 0.00 C ATOM 1344 O ASN A 97 14.587 10.404 7.056 1.00 0.00 O ATOM 1345 CB ASN A 97 13.626 12.408 8.674 1.00 0.00 C ATOM 1346 CG ASN A 97 13.776 13.842 9.152 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.842 14.445 9.016 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.718 14.394 9.724 1.00 0.00 N ATOM 0 H ASN A 97 11.381 13.251 6.605 1.00 0.00 H new ATOM 0 HA ASN A 97 13.583 13.154 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.916 11.887 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.582 11.894 8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.767 15.352 10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.853 13.862 9.818 1.00 0.00 H new ATOM 1354 N GLY A 98 12.958 10.603 5.526 1.00 0.00 N ATOM 1355 CA GLY A 98 13.326 9.381 4.848 1.00 0.00 C ATOM 1356 C GLY A 98 12.654 8.156 5.440 1.00 0.00 C ATOM 1357 O GLY A 98 12.725 7.069 4.873 1.00 0.00 O ATOM 0 H GLY A 98 12.161 11.094 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.061 9.462 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.408 9.256 4.896 1.00 0.00 H new ATOM 1361 N ARG A 99 11.992 8.332 6.575 1.00 0.00 N ATOM 1362 CA ARG A 99 11.321 7.227 7.253 1.00 0.00 C ATOM 1363 C ARG A 99 9.855 7.156 6.858 1.00 0.00 C ATOM 1364 O ARG A 99 9.166 8.166 6.834 1.00 0.00 O ATOM 1365 CB ARG A 99 11.440 7.373 8.773 1.00 0.00 C ATOM 1366 CG ARG A 99 12.798 6.980 9.332 1.00 0.00 C ATOM 1367 CD ARG A 99 13.922 7.881 8.840 1.00 0.00 C ATOM 1368 NE ARG A 99 15.225 7.358 9.251 1.00 0.00 N ATOM 1369 CZ ARG A 99 16.388 7.993 9.112 1.00 0.00 C ATOM 1370 NH1 ARG A 99 16.450 9.173 8.513 1.00 0.00 N ATOM 1371 NH2 ARG A 99 17.498 7.425 9.562 1.00 0.00 N ATOM 0 H ARG A 99 11.904 9.231 7.048 1.00 0.00 H new ATOM 0 HA ARG A 99 11.811 6.303 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.233 8.408 9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.673 6.760 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.761 7.014 10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.016 5.949 9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.883 7.959 7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.787 8.887 9.237 1.00 0.00 H new ATOM 0 HE ARG A 99 15.245 6.432 9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.601 9.607 8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.347 9.648 8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.457 6.510 10.010 1.00 0.00 H new ATOM 0 HH22 ARG A 99 18.393 7.903 9.460 1.00 0.00 H new ATOM 1382 N LEU A 100 9.381 5.961 6.558 1.00 0.00 N ATOM 1383 CA LEU A 100 7.995 5.776 6.160 1.00 0.00 C ATOM 1384 C LEU A 100 7.102 5.636 7.386 1.00 0.00 C ATOM 1385 O LEU A 100 7.294 4.733 8.201 1.00 0.00 O ATOM 1386 CB LEU A 100 7.866 4.545 5.263 1.00 0.00 C ATOM 1387 CG LEU A 100 7.056 4.769 3.990 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.672 5.886 3.170 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.979 3.491 3.170 1.00 0.00 C ATOM 0 H LEU A 100 9.933 5.104 6.582 1.00 0.00 H new ATOM 0 HA LEU A 100 7.673 6.654 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.865 4.206 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.403 3.741 5.836 1.00 0.00 H new ATOM 0 HG LEU A 100 6.043 5.056 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.086 6.038 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.679 6.805 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.694 5.619 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.397 3.673 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.985 3.174 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.500 2.709 3.759 1.00 0.00 H new ATOM 1400 N VAL A 101 6.143 6.543 7.526 1.00 0.00 N ATOM 1401 CA VAL A 101 5.228 6.522 8.660 1.00 0.00 C ATOM 1402 C VAL A 101 3.781 6.604 8.184 1.00 0.00 C ATOM 1403 O VAL A 101 3.475 7.314 7.224 1.00 0.00 O ATOM 1404 CB VAL A 101 5.497 7.707 9.621 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.687 7.561 10.900 1.00 0.00 C ATOM 1406 CG2 VAL A 101 6.981 7.828 9.945 1.00 0.00 C ATOM 0 H VAL A 101 5.979 7.304 6.867 1.00 0.00 H new ATOM 0 HA VAL A 101 5.394 5.584 9.189 1.00 0.00 H new ATOM 0 HB VAL A 101 5.184 8.620 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.892 8.405 11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.625 7.540 10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.963 6.633 11.401 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.138 8.668 10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.326 6.910 10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.542 7.993 9.025 1.00 0.00 H new ATOM 1416 N PHE A 102 2.897 5.866 8.843 1.00 0.00 N ATOM 1417 CA PHE A 102 1.486 5.896 8.496 1.00 0.00 C ATOM 1418 C PHE A 102 0.811 7.073 9.177 1.00 0.00 C ATOM 1419 O PHE A 102 1.006 7.311 10.371 1.00 0.00 O ATOM 1420 CB PHE A 102 0.774 4.598 8.891 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.723 4.753 8.980 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.497 4.893 7.837 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.352 4.781 10.215 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.865 5.051 7.925 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.721 4.943 10.308 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.479 5.076 9.162 1.00 0.00 C ATOM 0 H PHE A 102 3.132 5.243 9.616 1.00 0.00 H new ATOM 0 HA PHE A 102 1.415 6.002 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.011 3.823 8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.157 4.258 9.853 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.023 4.878 6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.765 4.675 11.115 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.456 5.155 7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.198 4.966 11.277 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.550 5.199 9.232 1.00 0.00 H new ATOM 1435 N GLN A 103 0.031 7.809 8.416 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.684 8.952 8.947 1.00 0.00 C ATOM 1437 C GLN A 103 -2.138 8.918 8.492 1.00 0.00 C ATOM 1438 O GLN A 103 -2.998 8.488 9.288 1.00 0.00 O ATOM 1439 CB GLN A 103 0.001 10.245 8.508 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.587 11.497 9.145 1.00 0.00 C ATOM 1441 CD GLN A 103 0.209 12.758 8.842 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.523 12.629 8.717 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 -0.356 13.847 8.745 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.417 9.296 7.334 1.00 0.00 O ATOM 0 H GLN A 103 -0.126 7.636 7.423 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.670 8.912 10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.061 10.186 8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.069 10.333 7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.610 11.629 8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.636 11.358 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.369 13.907 8.847 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.189 14.690 8.562 1.00 0.00 H new TER 1451 GLN A 103