USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 766 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 89 HIS : no HD1:sc= -2.5 K(o=-3.3,f=-4.4!) USER MOD Set 1.2: A 93 SER OG : rot -157:sc= -0.818 USER MOD Set 2.1: A 48 THR OG1 : rot 95:sc= 0.204 USER MOD Set 2.2: A 82 SER OG : rot -171:sc= 0.202 USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00572) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 33:sc= 0.757 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0518) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 8:sc= 0.559 USER MOD Single : A 17 SER OG : rot -55:sc= 0.988 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 12:sc= 1.26 USER MOD Single : A 29 CYS SG : rot 180:sc= 0.00139 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -160:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -167:sc= -4.97! (180deg=-5.73!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.97! C(o=-3!,f=-4.2!) USER MOD Single : A 49 SER OG : rot 180:sc= -0.7 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.9! C(o=-2.9!,f=-2.9!) USER MOD Single : A 66 SER OG : rot 66:sc= 0.77 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -3.64 F(o=-4.4!,f=-3.6) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.9!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -6.35 K(o=-6.4,f=-8.6!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.655) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00024 USER MOD Single : A 96 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.1) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.126 22.253 10.981 1.00 0.00 N ATOM 2 CA GLY A 1 13.968 20.842 11.284 1.00 0.00 C ATOM 3 C GLY A 1 13.450 20.050 10.101 1.00 0.00 C ATOM 4 O GLY A 1 12.552 19.220 10.246 1.00 0.00 O ATOM 0 H1 GLY A 1 14.450 22.757 11.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.827 22.369 10.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.214 22.646 10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.927 20.432 11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.281 20.728 12.122 1.00 0.00 H new ATOM 8 N SER A 2 14.015 20.306 8.925 1.00 0.00 N ATOM 9 CA SER A 2 13.601 19.614 7.711 1.00 0.00 C ATOM 10 C SER A 2 14.274 18.249 7.607 1.00 0.00 C ATOM 11 O SER A 2 15.425 18.080 8.008 1.00 0.00 O ATOM 12 CB SER A 2 13.938 20.456 6.478 1.00 0.00 C ATOM 13 OG SER A 2 13.168 20.053 5.359 1.00 0.00 O ATOM 0 H SER A 2 14.761 20.988 8.788 1.00 0.00 H new ATOM 0 HA SER A 2 12.522 19.466 7.757 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.752 21.509 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.999 20.360 6.247 1.00 0.00 H new ATOM 0 HG SER A 2 13.401 20.607 4.585 1.00 0.00 H new ATOM 19 N SER A 3 13.546 17.277 7.065 1.00 0.00 N ATOM 20 CA SER A 3 14.069 15.925 6.912 1.00 0.00 C ATOM 21 C SER A 3 15.485 15.952 6.343 1.00 0.00 C ATOM 22 O SER A 3 16.434 15.513 6.991 1.00 0.00 O ATOM 23 CB SER A 3 13.157 15.103 6.000 1.00 0.00 C ATOM 24 OG SER A 3 11.937 14.788 6.648 1.00 0.00 O ATOM 0 H SER A 3 12.592 17.401 6.725 1.00 0.00 H new ATOM 0 HA SER A 3 14.100 15.460 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.953 15.661 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.664 14.184 5.706 1.00 0.00 H new ATOM 0 HG SER A 3 11.371 14.264 6.043 1.00 0.00 H new ATOM 30 N GLY A 4 15.618 16.471 5.126 1.00 0.00 N ATOM 31 CA GLY A 4 16.920 16.546 4.490 1.00 0.00 C ATOM 32 C GLY A 4 16.844 16.345 2.989 1.00 0.00 C ATOM 33 O GLY A 4 16.844 15.212 2.508 1.00 0.00 O ATOM 0 H GLY A 4 14.847 16.841 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.369 17.517 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.576 15.790 4.922 1.00 0.00 H new ATOM 37 N SER A 5 16.778 17.446 2.248 1.00 0.00 N ATOM 38 CA SER A 5 16.696 17.385 0.794 1.00 0.00 C ATOM 39 C SER A 5 17.814 18.201 0.152 1.00 0.00 C ATOM 40 O SER A 5 17.780 19.431 0.155 1.00 0.00 O ATOM 41 CB SER A 5 15.336 17.898 0.317 1.00 0.00 C ATOM 42 OG SER A 5 15.128 19.241 0.718 1.00 0.00 O ATOM 0 H SER A 5 16.780 18.391 2.631 1.00 0.00 H new ATOM 0 HA SER A 5 16.810 16.344 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.277 17.826 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.544 17.268 0.721 1.00 0.00 H new ATOM 0 HG SER A 5 15.986 19.715 0.731 1.00 0.00 H new ATOM 48 N SER A 6 18.804 17.506 -0.399 1.00 0.00 N ATOM 49 CA SER A 6 19.935 18.164 -1.042 1.00 0.00 C ATOM 50 C SER A 6 20.699 17.188 -1.931 1.00 0.00 C ATOM 51 O SER A 6 20.603 15.973 -1.763 1.00 0.00 O ATOM 52 CB SER A 6 20.875 18.755 0.012 1.00 0.00 C ATOM 53 OG SER A 6 21.889 19.539 -0.592 1.00 0.00 O ATOM 0 H SER A 6 18.846 16.487 -0.413 1.00 0.00 H new ATOM 0 HA SER A 6 19.548 18.969 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.305 19.368 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.329 17.951 0.591 1.00 0.00 H new ATOM 0 HG SER A 6 22.475 19.907 0.102 1.00 0.00 H new ATOM 59 N GLY A 7 21.458 17.729 -2.878 1.00 0.00 N ATOM 60 CA GLY A 7 22.228 16.893 -3.781 1.00 0.00 C ATOM 61 C GLY A 7 23.444 16.285 -3.112 1.00 0.00 C ATOM 62 O GLY A 7 24.579 16.574 -3.491 1.00 0.00 O ATOM 0 H GLY A 7 21.554 18.732 -3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.592 16.096 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.547 17.487 -4.638 1.00 0.00 H new ATOM 66 N ARG A 8 23.209 15.441 -2.112 1.00 0.00 N ATOM 67 CA ARG A 8 24.295 14.793 -1.387 1.00 0.00 C ATOM 68 C ARG A 8 24.151 13.275 -1.436 1.00 0.00 C ATOM 69 O ARG A 8 23.052 12.750 -1.615 1.00 0.00 O ATOM 70 CB ARG A 8 24.320 15.267 0.067 1.00 0.00 C ATOM 71 CG ARG A 8 25.047 16.587 0.265 1.00 0.00 C ATOM 72 CD ARG A 8 25.461 16.783 1.715 1.00 0.00 C ATOM 73 NE ARG A 8 25.898 18.152 1.979 1.00 0.00 N ATOM 74 CZ ARG A 8 27.123 18.595 1.720 1.00 0.00 C ATOM 75 NH1 ARG A 8 28.028 17.782 1.193 1.00 0.00 N ATOM 76 NH2 ARG A 8 27.445 19.854 1.989 1.00 0.00 N ATOM 0 H ARG A 8 22.276 15.190 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 8 25.234 15.067 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 8 23.295 15.369 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 8 24.797 14.503 0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 8 25.930 16.617 -0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 8 24.402 17.409 -0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 8 24.623 16.538 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.268 16.092 1.958 1.00 0.00 H new ATOM 0 HE ARG A 8 25.226 18.803 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 8 27.784 16.814 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 8 28.968 18.125 0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 8 26.751 20.482 2.395 1.00 0.00 H new ATOM 0 HH22 ARG A 8 28.386 20.193 1.790 1.00 0.00 H new ATOM 90 N VAL A 9 25.270 12.574 -1.276 1.00 0.00 N ATOM 91 CA VAL A 9 25.269 11.116 -1.301 1.00 0.00 C ATOM 92 C VAL A 9 24.164 10.552 -0.415 1.00 0.00 C ATOM 93 O VAL A 9 24.218 10.660 0.810 1.00 0.00 O ATOM 94 CB VAL A 9 26.623 10.546 -0.839 1.00 0.00 C ATOM 95 CG1 VAL A 9 26.586 9.026 -0.826 1.00 0.00 C ATOM 96 CG2 VAL A 9 27.746 11.053 -1.731 1.00 0.00 C ATOM 0 H VAL A 9 26.188 12.993 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 9 25.091 10.817 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 9 26.814 10.889 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 9 27.551 8.641 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 9 25.808 8.687 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 9 26.372 8.659 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 9 28.696 10.640 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.563 10.741 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 9 27.785 12.141 -1.683 1.00 0.00 H new ATOM 106 N LYS A 10 23.160 9.949 -1.044 1.00 0.00 N ATOM 107 CA LYS A 10 22.041 9.365 -0.314 1.00 0.00 C ATOM 108 C LYS A 10 21.844 7.902 -0.700 1.00 0.00 C ATOM 109 O LYS A 10 22.524 7.389 -1.588 1.00 0.00 O ATOM 110 CB LYS A 10 20.759 10.153 -0.589 1.00 0.00 C ATOM 111 CG LYS A 10 20.552 11.327 0.353 1.00 0.00 C ATOM 112 CD LYS A 10 19.501 12.288 -0.175 1.00 0.00 C ATOM 113 CE LYS A 10 18.100 11.709 -0.043 1.00 0.00 C ATOM 114 NZ LYS A 10 17.624 11.724 1.368 1.00 0.00 N ATOM 0 H LYS A 10 23.099 9.852 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 10 22.269 9.414 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 10 20.782 10.521 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 10 19.905 9.480 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 10 20.250 10.959 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 10 21.495 11.857 0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.560 13.229 0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 10 19.706 12.514 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.411 12.280 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.093 10.685 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.613 11.483 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.161 11.028 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.765 12.672 1.772 1.00 0.00 H new ATOM 128 N GLU A 11 20.908 7.239 -0.029 1.00 0.00 N ATOM 129 CA GLU A 11 20.621 5.835 -0.304 1.00 0.00 C ATOM 130 C GLU A 11 19.820 5.686 -1.594 1.00 0.00 C ATOM 131 O GLU A 11 19.146 6.619 -2.029 1.00 0.00 O ATOM 132 CB GLU A 11 19.853 5.211 0.863 1.00 0.00 C ATOM 133 CG GLU A 11 20.605 5.257 2.182 1.00 0.00 C ATOM 134 CD GLU A 11 19.806 4.674 3.331 1.00 0.00 C ATOM 135 OE1 GLU A 11 18.888 3.870 3.065 1.00 0.00 O ATOM 136 OE2 GLU A 11 20.097 5.022 4.494 1.00 0.00 O ATOM 0 H GLU A 11 20.336 7.650 0.708 1.00 0.00 H new ATOM 0 HA GLU A 11 21.570 5.313 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.901 5.730 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.623 4.173 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.542 4.709 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.864 6.290 2.412 1.00 0.00 H new ATOM 143 N SER A 12 19.899 4.506 -2.199 1.00 0.00 N ATOM 144 CA SER A 12 19.184 4.235 -3.441 1.00 0.00 C ATOM 145 C SER A 12 17.732 4.693 -3.344 1.00 0.00 C ATOM 146 O SER A 12 17.085 4.526 -2.310 1.00 0.00 O ATOM 147 CB SER A 12 19.239 2.741 -3.770 1.00 0.00 C ATOM 148 OG SER A 12 20.504 2.381 -4.298 1.00 0.00 O ATOM 0 H SER A 12 20.451 3.722 -1.850 1.00 0.00 H new ATOM 0 HA SER A 12 19.670 4.794 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.038 2.160 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.458 2.495 -4.489 1.00 0.00 H new ATOM 0 HG SER A 12 20.514 1.422 -4.498 1.00 0.00 H new ATOM 154 N ILE A 13 17.227 5.271 -4.429 1.00 0.00 N ATOM 155 CA ILE A 13 15.852 5.752 -4.467 1.00 0.00 C ATOM 156 C ILE A 13 14.863 4.603 -4.306 1.00 0.00 C ATOM 157 O ILE A 13 14.829 3.679 -5.119 1.00 0.00 O ATOM 158 CB ILE A 13 15.551 6.493 -5.783 1.00 0.00 C ATOM 159 CG1 ILE A 13 14.075 6.891 -5.844 1.00 0.00 C ATOM 160 CG2 ILE A 13 15.920 5.624 -6.976 1.00 0.00 C ATOM 161 CD1 ILE A 13 13.776 7.944 -6.889 1.00 0.00 C ATOM 0 H ILE A 13 17.749 5.417 -5.293 1.00 0.00 H new ATOM 0 HA ILE A 13 15.737 6.446 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 13 16.154 7.400 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 13 13.476 6.004 -6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.766 7.262 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.702 6.161 -7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 13 16.983 5.386 -6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.340 4.701 -6.947 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.711 8.177 -6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 13 14.348 8.846 -6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.053 7.568 -7.874 1.00 0.00 H new ATOM 173 N THR A 14 14.056 4.668 -3.251 1.00 0.00 N ATOM 174 CA THR A 14 13.064 3.634 -2.983 1.00 0.00 C ATOM 175 C THR A 14 12.051 3.536 -4.117 1.00 0.00 C ATOM 176 O THR A 14 11.509 2.464 -4.387 1.00 0.00 O ATOM 177 CB THR A 14 12.316 3.902 -1.663 1.00 0.00 C ATOM 178 OG1 THR A 14 11.297 2.915 -1.469 1.00 0.00 O ATOM 179 CG2 THR A 14 11.691 5.289 -1.668 1.00 0.00 C ATOM 0 H THR A 14 14.070 5.426 -2.569 1.00 0.00 H new ATOM 0 HA THR A 14 13.605 2.691 -2.901 1.00 0.00 H new ATOM 0 HB THR A 14 13.035 3.847 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.827 3.091 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.168 5.456 -0.726 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.472 6.040 -1.787 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.984 5.367 -2.494 1.00 0.00 H new ATOM 187 N ARG A 15 11.801 4.660 -4.780 1.00 0.00 N ATOM 188 CA ARG A 15 10.852 4.700 -5.886 1.00 0.00 C ATOM 189 C ARG A 15 9.463 4.267 -5.427 1.00 0.00 C ATOM 190 O ARG A 15 8.743 3.579 -6.152 1.00 0.00 O ATOM 191 CB ARG A 15 11.328 3.799 -7.027 1.00 0.00 C ATOM 192 CG ARG A 15 10.716 4.147 -8.374 1.00 0.00 C ATOM 193 CD ARG A 15 11.497 5.249 -9.072 1.00 0.00 C ATOM 194 NE ARG A 15 11.206 5.305 -10.502 1.00 0.00 N ATOM 195 CZ ARG A 15 11.880 6.062 -11.361 1.00 0.00 C ATOM 196 NH1 ARG A 15 12.880 6.823 -10.936 1.00 0.00 N ATOM 197 NH2 ARG A 15 11.556 6.058 -12.647 1.00 0.00 N ATOM 0 H ARG A 15 12.242 5.555 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 15 10.793 5.728 -6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.413 3.866 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.088 2.764 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.694 3.259 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.683 4.464 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.256 6.209 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.565 5.085 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 15 10.443 4.731 -10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.133 6.828 -9.948 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.396 7.403 -11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.788 5.473 -12.978 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.074 6.640 -13.305 1.00 0.00 H new ATOM 211 N THR A 16 9.092 4.674 -4.217 1.00 0.00 N ATOM 212 CA THR A 16 7.791 4.327 -3.660 1.00 0.00 C ATOM 213 C THR A 16 7.478 2.851 -3.871 1.00 0.00 C ATOM 214 O THR A 16 6.344 2.484 -4.179 1.00 0.00 O ATOM 215 CB THR A 16 6.667 5.174 -4.287 1.00 0.00 C ATOM 216 OG1 THR A 16 6.617 4.951 -5.701 1.00 0.00 O ATOM 217 CG2 THR A 16 6.885 6.653 -4.009 1.00 0.00 C ATOM 0 H THR A 16 9.675 5.244 -3.604 1.00 0.00 H new ATOM 0 HA THR A 16 7.840 4.535 -2.591 1.00 0.00 H new ATOM 0 HB THR A 16 5.721 4.872 -3.838 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.226 4.221 -5.939 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.079 7.231 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.894 6.823 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.839 6.966 -4.434 1.00 0.00 H new ATOM 225 N SER A 17 8.490 2.006 -3.704 1.00 0.00 N ATOM 226 CA SER A 17 8.323 0.568 -3.880 1.00 0.00 C ATOM 227 C SER A 17 7.379 0.269 -5.040 1.00 0.00 C ATOM 228 O SER A 17 6.480 -0.565 -4.925 1.00 0.00 O ATOM 229 CB SER A 17 7.787 -0.066 -2.595 1.00 0.00 C ATOM 230 OG SER A 17 7.587 -1.459 -2.758 1.00 0.00 O ATOM 0 H SER A 17 9.435 2.292 -3.447 1.00 0.00 H new ATOM 0 HA SER A 17 9.299 0.139 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.488 0.111 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.847 0.409 -2.316 1.00 0.00 H new ATOM 0 HG SER A 17 7.006 -1.618 -3.531 1.00 0.00 H new ATOM 236 N ARG A 18 7.590 0.955 -6.159 1.00 0.00 N ATOM 237 CA ARG A 18 6.758 0.765 -7.340 1.00 0.00 C ATOM 238 C ARG A 18 6.847 -0.673 -7.842 1.00 0.00 C ATOM 239 O ARG A 18 7.811 -1.051 -8.507 1.00 0.00 O ATOM 240 CB ARG A 18 7.181 1.730 -8.449 1.00 0.00 C ATOM 241 CG ARG A 18 6.413 1.541 -9.747 1.00 0.00 C ATOM 242 CD ARG A 18 5.106 2.317 -9.740 1.00 0.00 C ATOM 243 NE ARG A 18 4.436 2.274 -11.037 1.00 0.00 N ATOM 244 CZ ARG A 18 3.330 2.954 -11.316 1.00 0.00 C ATOM 245 NH1 ARG A 18 2.772 3.726 -10.394 1.00 0.00 N ATOM 246 NH2 ARG A 18 2.780 2.864 -12.520 1.00 0.00 N ATOM 0 H ARG A 18 8.330 1.647 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 18 5.724 0.972 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.043 2.754 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.246 1.601 -8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.027 1.869 -10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.207 0.481 -9.898 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.445 1.906 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.302 3.354 -9.468 1.00 0.00 H new ATOM 0 HE ARG A 18 4.840 1.689 -11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.192 3.799 -9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.923 4.247 -10.611 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.207 2.272 -13.233 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.930 3.387 -12.733 1.00 0.00 H new ATOM 260 N ALA A 19 5.834 -1.471 -7.519 1.00 0.00 N ATOM 261 CA ALA A 19 5.797 -2.867 -7.938 1.00 0.00 C ATOM 262 C ALA A 19 5.108 -3.016 -9.290 1.00 0.00 C ATOM 263 O ALA A 19 4.229 -2.235 -9.655 1.00 0.00 O ATOM 264 CB ALA A 19 5.095 -3.714 -6.888 1.00 0.00 C ATOM 0 H ALA A 19 5.028 -1.174 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 19 6.824 -3.217 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.074 -4.754 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.632 -3.640 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.074 -3.356 -6.754 1.00 0.00 H new ATOM 270 N PRO A 20 5.514 -4.042 -10.052 1.00 0.00 N ATOM 271 CA PRO A 20 4.948 -4.318 -11.376 1.00 0.00 C ATOM 272 C PRO A 20 3.509 -4.817 -11.298 1.00 0.00 C ATOM 273 O PRO A 20 3.264 -6.018 -11.188 1.00 0.00 O ATOM 274 CB PRO A 20 5.864 -5.410 -11.933 1.00 0.00 C ATOM 275 CG PRO A 20 6.428 -6.082 -10.729 1.00 0.00 C ATOM 276 CD PRO A 20 6.557 -5.013 -9.680 1.00 0.00 C ATOM 0 HA PRO A 20 4.905 -3.423 -11.996 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.309 -6.113 -12.555 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.652 -4.986 -12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.775 -6.886 -10.389 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.397 -6.530 -10.950 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.396 -5.412 -8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.549 -4.560 -9.687 1.00 0.00 H new ATOM 284 N SER A 21 2.561 -3.887 -11.358 1.00 0.00 N ATOM 285 CA SER A 21 1.146 -4.234 -11.291 1.00 0.00 C ATOM 286 C SER A 21 0.279 -3.067 -11.754 1.00 0.00 C ATOM 287 O SER A 21 0.603 -1.904 -11.513 1.00 0.00 O ATOM 288 CB SER A 21 0.764 -4.633 -9.865 1.00 0.00 C ATOM 289 OG SER A 21 1.147 -3.635 -8.935 1.00 0.00 O ATOM 0 H SER A 21 2.747 -2.889 -11.453 1.00 0.00 H new ATOM 0 HA SER A 21 0.972 -5.080 -11.956 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.312 -4.796 -9.806 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.244 -5.577 -9.608 1.00 0.00 H new ATOM 0 HG SER A 21 0.890 -3.914 -8.031 1.00 0.00 H new ATOM 295 N VAL A 22 -0.825 -3.387 -12.421 1.00 0.00 N ATOM 296 CA VAL A 22 -1.741 -2.367 -12.918 1.00 0.00 C ATOM 297 C VAL A 22 -2.969 -2.248 -12.023 1.00 0.00 C ATOM 298 O VAL A 22 -3.684 -3.224 -11.799 1.00 0.00 O ATOM 299 CB VAL A 22 -2.196 -2.673 -14.357 1.00 0.00 C ATOM 300 CG1 VAL A 22 -3.197 -1.632 -14.835 1.00 0.00 C ATOM 301 CG2 VAL A 22 -0.997 -2.740 -15.292 1.00 0.00 C ATOM 0 H VAL A 22 -1.107 -4.345 -12.630 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.196 -1.423 -12.911 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.689 -3.645 -14.364 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.506 -1.866 -15.854 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.069 -1.638 -14.181 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.734 -0.645 -14.814 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.337 -2.957 -16.305 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.474 -1.784 -15.282 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.320 -3.527 -14.960 1.00 0.00 H new ATOM 311 N ALA A 23 -3.209 -1.044 -11.514 1.00 0.00 N ATOM 312 CA ALA A 23 -4.353 -0.796 -10.645 1.00 0.00 C ATOM 313 C ALA A 23 -5.520 -0.207 -11.429 1.00 0.00 C ATOM 314 O ALA A 23 -5.359 0.765 -12.168 1.00 0.00 O ATOM 315 CB ALA A 23 -3.958 0.131 -9.505 1.00 0.00 C ATOM 0 H ALA A 23 -2.626 -0.225 -11.688 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.675 -1.750 -10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.822 0.308 -8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.161 -0.329 -8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.608 1.080 -9.912 1.00 0.00 H new ATOM 321 N THR A 24 -6.698 -0.800 -11.263 1.00 0.00 N ATOM 322 CA THR A 24 -7.893 -0.336 -11.957 1.00 0.00 C ATOM 323 C THR A 24 -8.753 0.534 -11.047 1.00 0.00 C ATOM 324 O THR A 24 -8.564 0.555 -9.831 1.00 0.00 O ATOM 325 CB THR A 24 -8.739 -1.516 -12.470 1.00 0.00 C ATOM 326 OG1 THR A 24 -7.915 -2.427 -13.206 1.00 0.00 O ATOM 327 CG2 THR A 24 -9.874 -1.023 -13.355 1.00 0.00 C ATOM 0 H THR A 24 -6.850 -1.603 -10.653 1.00 0.00 H new ATOM 0 HA THR A 24 -7.555 0.255 -12.808 1.00 0.00 H new ATOM 0 HB THR A 24 -9.167 -2.029 -11.609 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.460 -3.175 -13.527 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.458 -1.874 -13.706 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.516 -0.353 -12.783 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.462 -0.488 -14.211 1.00 0.00 H new ATOM 335 N VAL A 25 -9.700 1.252 -11.645 1.00 0.00 N ATOM 336 CA VAL A 25 -10.591 2.123 -10.888 1.00 0.00 C ATOM 337 C VAL A 25 -12.021 1.595 -10.907 1.00 0.00 C ATOM 338 O VAL A 25 -12.527 1.179 -11.948 1.00 0.00 O ATOM 339 CB VAL A 25 -10.577 3.559 -11.444 1.00 0.00 C ATOM 340 CG1 VAL A 25 -10.921 3.562 -12.925 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.540 4.441 -10.663 1.00 0.00 C ATOM 0 H VAL A 25 -9.869 1.247 -12.651 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.225 2.136 -9.861 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.572 3.965 -11.329 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.906 4.585 -13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.189 2.965 -13.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.915 3.137 -13.069 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.518 5.452 -11.069 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.550 4.039 -10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.243 4.464 -9.614 1.00 0.00 H new ATOM 351 N GLY A 26 -12.669 1.616 -9.746 1.00 0.00 N ATOM 352 CA GLY A 26 -14.036 1.138 -9.651 1.00 0.00 C ATOM 353 C GLY A 26 -14.145 -0.356 -9.881 1.00 0.00 C ATOM 354 O GLY A 26 -14.936 -0.807 -10.709 1.00 0.00 O ATOM 0 H GLY A 26 -12.272 1.955 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.435 1.381 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.652 1.661 -10.382 1.00 0.00 H new ATOM 358 N SER A 27 -13.347 -1.126 -9.148 1.00 0.00 N ATOM 359 CA SER A 27 -13.353 -2.578 -9.281 1.00 0.00 C ATOM 360 C SER A 27 -12.561 -3.230 -8.151 1.00 0.00 C ATOM 361 O SER A 27 -11.469 -2.780 -7.805 1.00 0.00 O ATOM 362 CB SER A 27 -12.768 -2.990 -10.633 1.00 0.00 C ATOM 363 OG SER A 27 -13.736 -2.882 -11.662 1.00 0.00 O ATOM 0 H SER A 27 -12.688 -0.769 -8.456 1.00 0.00 H new ATOM 0 HA SER A 27 -14.386 -2.920 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.910 -2.360 -10.869 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.404 -4.016 -10.578 1.00 0.00 H new ATOM 0 HG SER A 27 -14.516 -2.392 -11.327 1.00 0.00 H new ATOM 369 N ILE A 28 -13.121 -4.292 -7.581 1.00 0.00 N ATOM 370 CA ILE A 28 -12.468 -5.007 -6.492 1.00 0.00 C ATOM 371 C ILE A 28 -11.040 -5.391 -6.865 1.00 0.00 C ATOM 372 O ILE A 28 -10.816 -6.365 -7.584 1.00 0.00 O ATOM 373 CB ILE A 28 -13.246 -6.279 -6.107 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.634 -5.913 -5.577 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.471 -7.080 -5.071 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.585 -7.087 -5.512 1.00 0.00 C ATOM 0 H ILE A 28 -14.025 -4.676 -7.855 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.448 -4.331 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.369 -6.896 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.532 -5.483 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.065 -5.141 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.033 -7.976 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.503 -7.366 -5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.321 -6.472 -4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.549 -6.754 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.717 -7.504 -6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.175 -7.851 -4.851 1.00 0.00 H new ATOM 388 N CYS A 29 -10.077 -4.621 -6.370 1.00 0.00 N ATOM 389 CA CYS A 29 -8.670 -4.881 -6.650 1.00 0.00 C ATOM 390 C CYS A 29 -8.069 -5.809 -5.599 1.00 0.00 C ATOM 391 O CYS A 29 -8.090 -5.508 -4.406 1.00 0.00 O ATOM 392 CB CYS A 29 -7.887 -3.568 -6.697 1.00 0.00 C ATOM 393 SG CYS A 29 -7.822 -2.805 -8.335 1.00 0.00 S ATOM 0 H CYS A 29 -10.245 -3.812 -5.773 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.602 -5.371 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.337 -2.864 -5.998 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.869 -3.752 -6.353 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.141 -1.700 -8.272 1.00 0.00 H new ATOM 399 N ASP A 30 -7.535 -6.938 -6.051 1.00 0.00 N ATOM 400 CA ASP A 30 -6.928 -7.911 -5.149 1.00 0.00 C ATOM 401 C ASP A 30 -5.450 -7.602 -4.931 1.00 0.00 C ATOM 402 O ASP A 30 -4.622 -7.818 -5.817 1.00 0.00 O ATOM 403 CB ASP A 30 -7.089 -9.325 -5.708 1.00 0.00 C ATOM 404 CG ASP A 30 -6.951 -9.371 -7.218 1.00 0.00 C ATOM 405 OD1 ASP A 30 -7.976 -9.203 -7.912 1.00 0.00 O ATOM 406 OD2 ASP A 30 -5.819 -9.573 -7.704 1.00 0.00 O ATOM 0 H ASP A 30 -7.510 -7.202 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.439 -7.848 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.341 -9.978 -5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.066 -9.716 -5.423 1.00 0.00 H new ATOM 411 N LEU A 31 -5.126 -7.094 -3.747 1.00 0.00 N ATOM 412 CA LEU A 31 -3.748 -6.753 -3.412 1.00 0.00 C ATOM 413 C LEU A 31 -3.071 -7.897 -2.664 1.00 0.00 C ATOM 414 O LEU A 31 -3.211 -8.026 -1.449 1.00 0.00 O ATOM 415 CB LEU A 31 -3.707 -5.480 -2.565 1.00 0.00 C ATOM 416 CG LEU A 31 -2.335 -4.825 -2.402 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.971 -4.032 -3.647 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.314 -3.930 -1.172 1.00 0.00 C ATOM 0 H LEU A 31 -5.799 -6.909 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.207 -6.580 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.385 -4.751 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.095 -5.715 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.592 -5.611 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.992 -3.573 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.944 -4.699 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.716 -3.254 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.330 -3.472 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.068 -3.150 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.529 -4.526 -0.285 1.00 0.00 H new ATOM 430 N ASN A 32 -2.334 -8.724 -3.399 1.00 0.00 N ATOM 431 CA ASN A 32 -1.634 -9.857 -2.805 1.00 0.00 C ATOM 432 C ASN A 32 -0.336 -9.406 -2.142 1.00 0.00 C ATOM 433 O ASN A 32 0.567 -8.893 -2.804 1.00 0.00 O ATOM 434 CB ASN A 32 -1.335 -10.914 -3.870 1.00 0.00 C ATOM 435 CG ASN A 32 -0.436 -12.019 -3.351 1.00 0.00 C ATOM 436 OD1 ASN A 32 -0.769 -12.703 -2.383 1.00 0.00 O ATOM 437 ND2 ASN A 32 0.712 -12.199 -3.994 1.00 0.00 N ATOM 0 H ASN A 32 -2.206 -8.631 -4.407 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.280 -10.292 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.272 -11.346 -4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.862 -10.437 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.358 -12.928 -3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.948 -11.609 -4.792 1.00 0.00 H new ATOM 444 N LEU A 33 -0.249 -9.602 -0.831 1.00 0.00 N ATOM 445 CA LEU A 33 0.939 -9.217 -0.077 1.00 0.00 C ATOM 446 C LEU A 33 1.586 -10.433 0.579 1.00 0.00 C ATOM 447 O LEU A 33 0.900 -11.283 1.148 1.00 0.00 O ATOM 448 CB LEU A 33 0.577 -8.181 0.989 1.00 0.00 C ATOM 449 CG LEU A 33 0.377 -6.749 0.491 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.597 -6.003 1.390 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.709 -6.017 0.422 1.00 0.00 C ATOM 0 H LEU A 33 -0.987 -10.025 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 33 1.654 -8.779 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.339 -8.503 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.363 -8.176 1.744 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.045 -6.790 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.727 -4.986 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.559 -6.515 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.204 -5.972 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.547 -5.000 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.159 -5.987 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.376 -6.540 -0.263 1.00 0.00 H new ATOM 463 N LYS A 34 2.910 -10.508 0.498 1.00 0.00 N ATOM 464 CA LYS A 34 3.651 -11.617 1.087 1.00 0.00 C ATOM 465 C LYS A 34 4.008 -11.323 2.540 1.00 0.00 C ATOM 466 O LYS A 34 5.181 -11.333 2.915 1.00 0.00 O ATOM 467 CB LYS A 34 4.924 -11.890 0.283 1.00 0.00 C ATOM 468 CG LYS A 34 4.671 -12.607 -1.033 1.00 0.00 C ATOM 469 CD LYS A 34 4.452 -14.096 -0.824 1.00 0.00 C ATOM 470 CE LYS A 34 4.228 -14.817 -2.144 1.00 0.00 C ATOM 471 NZ LYS A 34 4.367 -16.292 -2.001 1.00 0.00 N ATOM 0 H LYS A 34 3.492 -9.814 0.030 1.00 0.00 H new ATOM 0 HA LYS A 34 3.014 -12.501 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.426 -10.944 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.605 -12.489 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.798 -12.175 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.519 -12.453 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.316 -14.524 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.591 -14.250 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.233 -14.581 -2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.944 -14.455 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.207 -16.747 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.324 -16.519 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.667 -16.642 -1.316 1.00 0.00 H new ATOM 485 N ILE A 35 2.990 -11.062 3.354 1.00 0.00 N ATOM 486 CA ILE A 35 3.198 -10.768 4.766 1.00 0.00 C ATOM 487 C ILE A 35 3.676 -12.004 5.521 1.00 0.00 C ATOM 488 O ILE A 35 3.190 -13.116 5.312 1.00 0.00 O ATOM 489 CB ILE A 35 1.910 -10.243 5.427 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.430 -8.973 4.722 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.144 -9.978 6.907 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.069 -8.502 5.185 1.00 0.00 C ATOM 0 H ILE A 35 2.014 -11.048 3.059 1.00 0.00 H new ATOM 0 HA ILE A 35 3.965 -9.995 4.818 1.00 0.00 H new ATOM 0 HB ILE A 35 1.135 -11.003 5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.157 -8.178 4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.397 -9.154 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.225 -9.607 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.444 -10.903 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.931 -9.233 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.207 -7.598 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.670 -9.280 4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.102 -8.289 6.253 1.00 0.00 H new ATOM 504 N PRO A 36 4.651 -11.807 6.421 1.00 0.00 N ATOM 505 CA PRO A 36 5.214 -12.894 7.228 1.00 0.00 C ATOM 506 C PRO A 36 4.227 -13.418 8.265 1.00 0.00 C ATOM 507 O PRO A 36 3.031 -13.137 8.194 1.00 0.00 O ATOM 508 CB PRO A 36 6.415 -12.239 7.915 1.00 0.00 C ATOM 509 CG PRO A 36 6.080 -10.788 7.962 1.00 0.00 C ATOM 510 CD PRO A 36 5.277 -10.509 6.722 1.00 0.00 C ATOM 0 HA PRO A 36 5.473 -13.761 6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.567 -12.643 8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.335 -12.415 7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.509 -10.548 8.859 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.984 -10.179 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.531 -9.733 6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.909 -10.168 5.902 1.00 0.00 H new ATOM 518 N GLU A 37 4.736 -14.182 9.227 1.00 0.00 N ATOM 519 CA GLU A 37 3.898 -14.745 10.278 1.00 0.00 C ATOM 520 C GLU A 37 3.036 -13.664 10.924 1.00 0.00 C ATOM 521 O GLU A 37 1.977 -13.952 11.483 1.00 0.00 O ATOM 522 CB GLU A 37 4.762 -15.427 11.341 1.00 0.00 C ATOM 523 CG GLU A 37 5.390 -16.728 10.872 1.00 0.00 C ATOM 524 CD GLU A 37 4.451 -17.911 11.006 1.00 0.00 C ATOM 525 OE1 GLU A 37 3.575 -18.074 10.130 1.00 0.00 O ATOM 526 OE2 GLU A 37 4.591 -18.673 11.985 1.00 0.00 O ATOM 0 H GLU A 37 5.724 -14.425 9.300 1.00 0.00 H new ATOM 0 HA GLU A 37 3.241 -15.487 9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.552 -14.742 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.151 -15.625 12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.693 -16.626 9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.294 -16.919 11.450 1.00 0.00 H new ATOM 533 N ILE A 38 3.497 -12.421 10.844 1.00 0.00 N ATOM 534 CA ILE A 38 2.769 -11.298 11.420 1.00 0.00 C ATOM 535 C ILE A 38 1.263 -11.481 11.265 1.00 0.00 C ATOM 536 O ILE A 38 0.726 -11.387 10.162 1.00 0.00 O ATOM 537 CB ILE A 38 3.182 -9.965 10.768 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.658 -9.673 11.045 1.00 0.00 C ATOM 539 CG2 ILE A 38 2.307 -8.831 11.280 1.00 0.00 C ATOM 540 CD1 ILE A 38 5.216 -8.538 10.214 1.00 0.00 C ATOM 0 H ILE A 38 4.372 -12.166 10.386 1.00 0.00 H new ATOM 0 HA ILE A 38 3.022 -11.269 12.480 1.00 0.00 H new ATOM 0 HB ILE A 38 3.043 -10.046 9.690 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.781 -9.434 12.101 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.241 -10.574 10.853 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.611 -7.896 10.810 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.265 -9.037 11.036 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.417 -8.746 12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.266 -8.387 10.463 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.126 -8.783 9.156 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.659 -7.625 10.424 1.00 0.00 H new ATOM 552 N ASN A 39 0.587 -11.743 12.379 1.00 0.00 N ATOM 553 CA ASN A 39 -0.858 -11.938 12.368 1.00 0.00 C ATOM 554 C ASN A 39 -1.559 -10.773 11.675 1.00 0.00 C ATOM 555 O ASN A 39 -0.918 -9.810 11.256 1.00 0.00 O ATOM 556 CB ASN A 39 -1.385 -12.088 13.796 1.00 0.00 C ATOM 557 CG ASN A 39 -1.373 -13.530 14.268 1.00 0.00 C ATOM 558 OD1 ASN A 39 -2.167 -14.351 13.810 1.00 0.00 O ATOM 559 ND2 ASN A 39 -0.469 -13.843 15.189 1.00 0.00 N ATOM 0 H ASN A 39 1.017 -11.825 13.300 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.072 -12.851 11.812 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.778 -11.483 14.470 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.402 -11.700 13.848 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.413 -14.797 15.545 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.170 -13.129 15.540 1.00 0.00 H new ATOM 566 N SER A 40 -2.880 -10.868 11.560 1.00 0.00 N ATOM 567 CA SER A 40 -3.669 -9.824 10.916 1.00 0.00 C ATOM 568 C SER A 40 -4.425 -8.998 11.952 1.00 0.00 C ATOM 569 O SER A 40 -4.408 -7.768 11.913 1.00 0.00 O ATOM 570 CB SER A 40 -4.654 -10.441 9.920 1.00 0.00 C ATOM 571 OG SER A 40 -5.720 -9.551 9.641 1.00 0.00 O ATOM 0 H SER A 40 -3.426 -11.657 11.904 1.00 0.00 H new ATOM 0 HA SER A 40 -2.986 -9.165 10.380 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.133 -10.691 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.050 -11.372 10.325 1.00 0.00 H new ATOM 0 HG SER A 40 -6.478 -10.053 9.275 1.00 0.00 H new ATOM 577 N SER A 41 -5.089 -9.684 12.877 1.00 0.00 N ATOM 578 CA SER A 41 -5.855 -9.015 13.921 1.00 0.00 C ATOM 579 C SER A 41 -5.067 -7.849 14.511 1.00 0.00 C ATOM 580 O SER A 41 -5.642 -6.918 15.075 1.00 0.00 O ATOM 581 CB SER A 41 -6.225 -10.006 15.026 1.00 0.00 C ATOM 582 OG SER A 41 -7.139 -9.430 15.944 1.00 0.00 O ATOM 0 H SER A 41 -5.112 -10.703 12.924 1.00 0.00 H new ATOM 0 HA SER A 41 -6.768 -8.624 13.473 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.664 -10.901 14.584 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.324 -10.320 15.554 1.00 0.00 H new ATOM 0 HG SER A 41 -7.360 -10.084 16.639 1.00 0.00 H new ATOM 588 N ASP A 42 -3.746 -7.908 14.377 1.00 0.00 N ATOM 589 CA ASP A 42 -2.877 -6.858 14.895 1.00 0.00 C ATOM 590 C ASP A 42 -2.554 -5.835 13.811 1.00 0.00 C ATOM 591 O ASP A 42 -2.465 -4.638 14.080 1.00 0.00 O ATOM 592 CB ASP A 42 -1.584 -7.461 15.446 1.00 0.00 C ATOM 593 CG ASP A 42 -1.835 -8.411 16.601 1.00 0.00 C ATOM 594 OD1 ASP A 42 -2.836 -8.218 17.323 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.030 -9.349 16.783 1.00 0.00 O ATOM 0 H ASP A 42 -3.254 -8.672 13.914 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.405 -6.350 15.702 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.065 -7.993 14.648 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.924 -6.659 15.776 1.00 0.00 H new ATOM 600 N MET A 43 -2.379 -6.317 12.584 1.00 0.00 N ATOM 601 CA MET A 43 -2.066 -5.444 11.459 1.00 0.00 C ATOM 602 C MET A 43 -3.244 -4.530 11.135 1.00 0.00 C ATOM 603 O MET A 43 -4.346 -4.717 11.649 1.00 0.00 O ATOM 604 CB MET A 43 -1.698 -6.275 10.228 1.00 0.00 C ATOM 605 CG MET A 43 -0.236 -6.691 10.191 1.00 0.00 C ATOM 606 SD MET A 43 0.248 -7.383 8.598 1.00 0.00 S ATOM 607 CE MET A 43 -1.137 -8.468 8.265 1.00 0.00 C ATOM 0 H MET A 43 -2.449 -7.306 12.344 1.00 0.00 H new ATOM 0 HA MET A 43 -1.214 -4.824 11.739 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.322 -7.168 10.203 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.927 -5.701 9.330 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.390 -5.826 10.412 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.052 -7.427 10.974 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.886 -9.136 7.441 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.359 -9.057 9.154 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.010 -7.872 7.997 1.00 0.00 H new ATOM 617 N SER A 44 -3.002 -3.541 10.281 1.00 0.00 N ATOM 618 CA SER A 44 -4.042 -2.595 9.893 1.00 0.00 C ATOM 619 C SER A 44 -3.869 -2.163 8.440 1.00 0.00 C ATOM 620 O SER A 44 -2.761 -1.857 8.000 1.00 0.00 O ATOM 621 CB SER A 44 -4.014 -1.369 10.808 1.00 0.00 C ATOM 622 OG SER A 44 -4.527 -1.680 12.092 1.00 0.00 O ATOM 0 H SER A 44 -2.095 -3.374 9.845 1.00 0.00 H new ATOM 0 HA SER A 44 -5.007 -3.093 9.994 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.991 -1.003 10.900 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.601 -0.566 10.363 1.00 0.00 H new ATOM 0 HG SER A 44 -4.497 -0.881 12.659 1.00 0.00 H new ATOM 628 N ALA A 45 -4.972 -2.141 7.700 1.00 0.00 N ATOM 629 CA ALA A 45 -4.944 -1.745 6.297 1.00 0.00 C ATOM 630 C ALA A 45 -6.062 -0.757 5.983 1.00 0.00 C ATOM 631 O ALA A 45 -7.239 -1.043 6.211 1.00 0.00 O ATOM 632 CB ALA A 45 -5.051 -2.970 5.401 1.00 0.00 C ATOM 0 H ALA A 45 -5.897 -2.393 8.049 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.993 -1.249 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.029 -2.660 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.214 -3.639 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.987 -3.490 5.605 1.00 0.00 H new ATOM 638 N HIS A 46 -5.689 0.406 5.459 1.00 0.00 N ATOM 639 CA HIS A 46 -6.662 1.436 5.113 1.00 0.00 C ATOM 640 C HIS A 46 -6.175 2.267 3.930 1.00 0.00 C ATOM 641 O HIS A 46 -5.060 2.788 3.940 1.00 0.00 O ATOM 642 CB HIS A 46 -6.923 2.344 6.316 1.00 0.00 C ATOM 643 CG HIS A 46 -7.327 1.600 7.551 1.00 0.00 C ATOM 644 ND1 HIS A 46 -6.444 0.852 8.301 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.526 1.493 8.169 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.083 0.315 9.325 1.00 0.00 C ATOM 647 NE2 HIS A 46 -8.349 0.689 9.268 1.00 0.00 N ATOM 0 H HIS A 46 -4.720 0.659 5.265 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.592 0.943 4.830 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.023 2.921 6.527 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.706 3.058 6.059 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.451 1.954 7.856 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.645 -0.321 10.080 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.076 0.424 9.932 1.00 0.00 H new ATOM 655 N VAL A 47 -7.020 2.388 2.911 1.00 0.00 N ATOM 656 CA VAL A 47 -6.676 3.156 1.720 1.00 0.00 C ATOM 657 C VAL A 47 -6.980 4.637 1.914 1.00 0.00 C ATOM 658 O VAL A 47 -8.131 5.025 2.119 1.00 0.00 O ATOM 659 CB VAL A 47 -7.439 2.645 0.483 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.118 3.499 -0.734 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.110 1.183 0.221 1.00 0.00 C ATOM 0 H VAL A 47 -7.947 1.964 2.886 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.606 3.026 1.558 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.508 2.724 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.666 3.122 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.409 4.531 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.048 3.456 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.658 0.838 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.039 1.077 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.397 0.585 1.086 1.00 0.00 H new ATOM 671 N THR A 48 -5.940 5.462 1.849 1.00 0.00 N ATOM 672 CA THR A 48 -6.094 6.901 2.019 1.00 0.00 C ATOM 673 C THR A 48 -6.364 7.587 0.684 1.00 0.00 C ATOM 674 O THR A 48 -5.918 7.121 -0.364 1.00 0.00 O ATOM 675 CB THR A 48 -4.843 7.529 2.662 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.656 7.006 3.982 1.00 0.00 O ATOM 677 CG2 THR A 48 -4.968 9.044 2.724 1.00 0.00 C ATOM 0 H THR A 48 -4.981 5.158 1.680 1.00 0.00 H new ATOM 0 HA THR A 48 -6.947 7.051 2.681 1.00 0.00 H new ATOM 0 HB THR A 48 -3.980 7.277 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.033 6.250 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.073 9.465 3.182 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.081 9.441 1.715 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.841 9.313 3.319 1.00 0.00 H new ATOM 685 N SER A 49 -7.096 8.695 0.731 1.00 0.00 N ATOM 686 CA SER A 49 -7.427 9.443 -0.476 1.00 0.00 C ATOM 687 C SER A 49 -6.562 10.694 -0.595 1.00 0.00 C ATOM 688 O SER A 49 -6.037 11.213 0.390 1.00 0.00 O ATOM 689 CB SER A 49 -8.907 9.832 -0.470 1.00 0.00 C ATOM 690 OG SER A 49 -9.722 8.742 -0.866 1.00 0.00 O ATOM 0 H SER A 49 -7.471 9.095 1.591 1.00 0.00 H new ATOM 0 HA SER A 49 -7.230 8.803 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.195 10.162 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.068 10.674 -1.143 1.00 0.00 H new ATOM 0 HG SER A 49 -10.663 9.015 -0.852 1.00 0.00 H new ATOM 696 N PRO A 50 -6.408 11.191 -1.831 1.00 0.00 N ATOM 697 CA PRO A 50 -5.608 12.387 -2.110 1.00 0.00 C ATOM 698 C PRO A 50 -6.258 13.658 -1.575 1.00 0.00 C ATOM 699 O PRO A 50 -5.741 14.758 -1.764 1.00 0.00 O ATOM 700 CB PRO A 50 -5.544 12.422 -3.639 1.00 0.00 C ATOM 701 CG PRO A 50 -6.760 11.688 -4.086 1.00 0.00 C ATOM 702 CD PRO A 50 -7.005 10.624 -3.053 1.00 0.00 C ATOM 0 HA PRO A 50 -4.631 12.344 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.541 13.446 -4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.636 11.945 -4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.615 12.360 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.610 11.248 -5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.069 10.425 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.535 9.680 -3.329 1.00 0.00 H new ATOM 710 N SER A 51 -7.395 13.498 -0.905 1.00 0.00 N ATOM 711 CA SER A 51 -8.118 14.634 -0.344 1.00 0.00 C ATOM 712 C SER A 51 -7.979 14.670 1.175 1.00 0.00 C ATOM 713 O SER A 51 -7.865 15.739 1.773 1.00 0.00 O ATOM 714 CB SER A 51 -9.597 14.565 -0.731 1.00 0.00 C ATOM 715 OG SER A 51 -10.187 13.360 -0.275 1.00 0.00 O ATOM 0 H SER A 51 -7.835 12.593 -0.737 1.00 0.00 H new ATOM 0 HA SER A 51 -7.685 15.547 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.128 15.417 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.697 14.635 -1.814 1.00 0.00 H new ATOM 0 HG SER A 51 -11.132 13.340 -0.533 1.00 0.00 H new ATOM 721 N GLY A 52 -7.989 13.493 1.792 1.00 0.00 N ATOM 722 CA GLY A 52 -7.863 13.411 3.236 1.00 0.00 C ATOM 723 C GLY A 52 -8.685 12.283 3.826 1.00 0.00 C ATOM 724 O GLY A 52 -8.446 11.857 4.957 1.00 0.00 O ATOM 0 H GLY A 52 -8.082 12.595 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.815 13.269 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.177 14.356 3.679 1.00 0.00 H new ATOM 728 N ARG A 53 -9.658 11.798 3.061 1.00 0.00 N ATOM 729 CA ARG A 53 -10.520 10.714 3.517 1.00 0.00 C ATOM 730 C ARG A 53 -9.782 9.379 3.478 1.00 0.00 C ATOM 731 O ARG A 53 -8.886 9.177 2.658 1.00 0.00 O ATOM 732 CB ARG A 53 -11.779 10.638 2.652 1.00 0.00 C ATOM 733 CG ARG A 53 -12.914 11.518 3.150 1.00 0.00 C ATOM 734 CD ARG A 53 -12.726 12.965 2.723 1.00 0.00 C ATOM 735 NE ARG A 53 -13.541 13.881 3.517 1.00 0.00 N ATOM 736 CZ ARG A 53 -13.797 15.134 3.159 1.00 0.00 C ATOM 737 NH1 ARG A 53 -13.305 15.618 2.028 1.00 0.00 N ATOM 738 NH2 ARG A 53 -14.548 15.906 3.935 1.00 0.00 N ATOM 0 H ARG A 53 -9.869 12.139 2.123 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.807 10.921 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.527 10.928 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.122 9.604 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.862 11.144 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.969 11.463 4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.675 13.238 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.986 13.069 1.670 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.935 13.540 4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.728 15.028 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.504 16.581 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.929 15.537 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.744 16.868 3.660 1.00 0.00 H new ATOM 752 N VAL A 54 -10.163 8.472 4.371 1.00 0.00 N ATOM 753 CA VAL A 54 -9.538 7.156 4.439 1.00 0.00 C ATOM 754 C VAL A 54 -10.586 6.056 4.570 1.00 0.00 C ATOM 755 O VAL A 54 -11.581 6.212 5.278 1.00 0.00 O ATOM 756 CB VAL A 54 -8.559 7.060 5.624 1.00 0.00 C ATOM 757 CG1 VAL A 54 -7.893 5.693 5.658 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.518 8.167 5.545 1.00 0.00 C ATOM 0 H VAL A 54 -10.902 8.624 5.058 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.986 7.020 3.509 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.122 7.186 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.205 5.644 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.654 4.920 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.342 5.534 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.834 8.084 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.958 8.074 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.015 9.137 5.574 1.00 0.00 H new ATOM 768 N THR A 55 -10.355 4.942 3.882 1.00 0.00 N ATOM 769 CA THR A 55 -11.279 3.815 3.920 1.00 0.00 C ATOM 770 C THR A 55 -10.671 2.631 4.664 1.00 0.00 C ATOM 771 O THR A 55 -9.453 2.538 4.810 1.00 0.00 O ATOM 772 CB THR A 55 -11.676 3.367 2.501 1.00 0.00 C ATOM 773 OG1 THR A 55 -11.871 4.511 1.662 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.948 2.533 2.534 1.00 0.00 C ATOM 0 H THR A 55 -9.536 4.796 3.292 1.00 0.00 H new ATOM 0 HA THR A 55 -12.170 4.154 4.449 1.00 0.00 H new ATOM 0 HB THR A 55 -10.869 2.755 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.121 4.217 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.209 2.228 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.787 1.648 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.760 3.125 2.955 1.00 0.00 H new ATOM 782 N GLU A 56 -11.528 1.729 5.131 1.00 0.00 N ATOM 783 CA GLU A 56 -11.074 0.551 5.860 1.00 0.00 C ATOM 784 C GLU A 56 -11.097 -0.685 4.965 1.00 0.00 C ATOM 785 O GLU A 56 -12.107 -0.986 4.329 1.00 0.00 O ATOM 786 CB GLU A 56 -11.950 0.317 7.093 1.00 0.00 C ATOM 787 CG GLU A 56 -11.716 -1.028 7.759 1.00 0.00 C ATOM 788 CD GLU A 56 -12.685 -1.292 8.896 1.00 0.00 C ATOM 789 OE1 GLU A 56 -12.887 -0.382 9.727 1.00 0.00 O ATOM 790 OE2 GLU A 56 -13.240 -2.409 8.954 1.00 0.00 O ATOM 0 H GLU A 56 -12.540 1.791 5.018 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.047 0.728 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.762 1.109 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.998 0.392 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.810 -1.819 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.695 -1.068 8.140 1.00 0.00 H new ATOM 797 N ALA A 57 -9.976 -1.397 4.920 1.00 0.00 N ATOM 798 CA ALA A 57 -9.867 -2.601 4.105 1.00 0.00 C ATOM 799 C ALA A 57 -9.911 -3.856 4.970 1.00 0.00 C ATOM 800 O ALA A 57 -9.425 -3.858 6.101 1.00 0.00 O ATOM 801 CB ALA A 57 -8.587 -2.568 3.284 1.00 0.00 C ATOM 0 H ALA A 57 -9.130 -1.161 5.439 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.720 -2.629 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.519 -3.473 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.596 -1.696 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.728 -2.512 3.952 1.00 0.00 H new ATOM 807 N GLU A 58 -10.496 -4.920 4.431 1.00 0.00 N ATOM 808 CA GLU A 58 -10.604 -6.181 5.156 1.00 0.00 C ATOM 809 C GLU A 58 -9.480 -7.134 4.760 1.00 0.00 C ATOM 810 O GLU A 58 -9.098 -7.209 3.592 1.00 0.00 O ATOM 811 CB GLU A 58 -11.961 -6.835 4.887 1.00 0.00 C ATOM 812 CG GLU A 58 -12.129 -8.187 5.560 1.00 0.00 C ATOM 813 CD GLU A 58 -12.459 -8.068 7.035 1.00 0.00 C ATOM 814 OE1 GLU A 58 -11.719 -7.363 7.753 1.00 0.00 O ATOM 815 OE2 GLU A 58 -13.457 -8.679 7.472 1.00 0.00 O ATOM 0 H GLU A 58 -10.902 -4.935 3.496 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.517 -5.967 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.751 -6.167 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.090 -6.955 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.921 -8.742 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.212 -8.764 5.442 1.00 0.00 H new ATOM 822 N ILE A 59 -8.955 -7.860 5.741 1.00 0.00 N ATOM 823 CA ILE A 59 -7.876 -8.809 5.496 1.00 0.00 C ATOM 824 C ILE A 59 -8.396 -10.242 5.484 1.00 0.00 C ATOM 825 O ILE A 59 -8.597 -10.849 6.536 1.00 0.00 O ATOM 826 CB ILE A 59 -6.766 -8.685 6.556 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.112 -7.304 6.484 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.726 -9.780 6.364 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.311 -6.949 7.717 1.00 0.00 C ATOM 0 H ILE A 59 -9.259 -7.809 6.713 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.460 -8.569 4.517 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.213 -8.803 7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.458 -7.266 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.886 -6.552 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.948 -9.679 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.203 -10.755 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.282 -9.690 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.876 -5.957 7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.964 -6.955 8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.514 -7.680 7.856 1.00 0.00 H new ATOM 841 N VAL A 60 -8.610 -10.779 4.287 1.00 0.00 N ATOM 842 CA VAL A 60 -9.103 -12.143 4.138 1.00 0.00 C ATOM 843 C VAL A 60 -8.056 -13.158 4.582 1.00 0.00 C ATOM 844 O VAL A 60 -6.874 -13.050 4.256 1.00 0.00 O ATOM 845 CB VAL A 60 -9.504 -12.438 2.680 1.00 0.00 C ATOM 846 CG1 VAL A 60 -10.117 -13.826 2.566 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.465 -11.377 2.167 1.00 0.00 C ATOM 0 H VAL A 60 -8.450 -10.290 3.406 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.983 -12.233 4.774 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.607 -12.411 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.394 -14.017 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.392 -14.572 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.005 -13.885 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.738 -11.601 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.362 -11.369 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.985 -10.399 2.211 1.00 0.00 H new ATOM 857 N PRO A 61 -8.498 -14.170 5.343 1.00 0.00 N ATOM 858 CA PRO A 61 -7.615 -15.226 5.847 1.00 0.00 C ATOM 859 C PRO A 61 -7.121 -16.147 4.737 1.00 0.00 C ATOM 860 O PRO A 61 -7.848 -17.027 4.278 1.00 0.00 O ATOM 861 CB PRO A 61 -8.506 -15.996 6.825 1.00 0.00 C ATOM 862 CG PRO A 61 -9.895 -15.750 6.346 1.00 0.00 C ATOM 863 CD PRO A 61 -9.894 -14.362 5.769 1.00 0.00 C ATOM 0 HA PRO A 61 -6.711 -14.820 6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.269 -17.060 6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.371 -15.641 7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.185 -16.485 5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.610 -15.832 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.585 -14.275 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.194 -13.619 6.508 1.00 0.00 H new ATOM 871 N MET A 62 -5.879 -15.939 4.311 1.00 0.00 N ATOM 872 CA MET A 62 -5.288 -16.753 3.255 1.00 0.00 C ATOM 873 C MET A 62 -4.746 -18.063 3.818 1.00 0.00 C ATOM 874 O MET A 62 -5.339 -19.124 3.628 1.00 0.00 O ATOM 875 CB MET A 62 -4.166 -15.983 2.556 1.00 0.00 C ATOM 876 CG MET A 62 -4.665 -14.851 1.672 1.00 0.00 C ATOM 877 SD MET A 62 -5.646 -15.439 0.278 1.00 0.00 S ATOM 878 CE MET A 62 -4.370 -15.680 -0.956 1.00 0.00 C ATOM 0 H MET A 62 -5.263 -15.215 4.680 1.00 0.00 H new ATOM 0 HA MET A 62 -6.068 -16.984 2.529 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.492 -15.575 3.310 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.583 -16.677 1.950 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.265 -14.166 2.270 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.812 -14.284 1.298 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.821 -16.044 -1.879 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.865 -14.733 -1.147 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.647 -16.410 -0.593 1.00 0.00 H new ATOM 888 N GLY A 63 -3.615 -17.982 4.512 1.00 0.00 N ATOM 889 CA GLY A 63 -3.013 -19.168 5.092 1.00 0.00 C ATOM 890 C GLY A 63 -1.721 -18.864 5.825 1.00 0.00 C ATOM 891 O GLY A 63 -1.635 -17.884 6.565 1.00 0.00 O ATOM 0 H GLY A 63 -3.105 -17.116 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.719 -19.629 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.817 -19.895 4.304 1.00 0.00 H new ATOM 895 N LYS A 64 -0.715 -19.707 5.622 1.00 0.00 N ATOM 896 CA LYS A 64 0.579 -19.524 6.269 1.00 0.00 C ATOM 897 C LYS A 64 1.270 -18.263 5.759 1.00 0.00 C ATOM 898 O LYS A 64 1.589 -18.155 4.577 1.00 0.00 O ATOM 899 CB LYS A 64 1.472 -20.743 6.022 1.00 0.00 C ATOM 900 CG LYS A 64 1.873 -20.918 4.568 1.00 0.00 C ATOM 901 CD LYS A 64 2.565 -22.251 4.338 1.00 0.00 C ATOM 902 CE LYS A 64 1.563 -23.393 4.256 1.00 0.00 C ATOM 903 NZ LYS A 64 2.165 -24.618 3.659 1.00 0.00 N ATOM 0 H LYS A 64 -0.771 -20.524 5.014 1.00 0.00 H new ATOM 0 HA LYS A 64 0.409 -19.416 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.372 -20.653 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.950 -21.639 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.988 -20.852 3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.537 -20.106 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.144 -22.207 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.269 -22.441 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.190 -23.621 5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.706 -23.082 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.450 -25.373 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.498 -24.407 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.967 -24.930 4.242 1.00 0.00 H new ATOM 917 N ASN A 65 1.498 -17.314 6.661 1.00 0.00 N ATOM 918 CA ASN A 65 2.152 -16.060 6.302 1.00 0.00 C ATOM 919 C ASN A 65 1.616 -15.527 4.977 1.00 0.00 C ATOM 920 O ASN A 65 2.376 -15.045 4.137 1.00 0.00 O ATOM 921 CB ASN A 65 3.666 -16.259 6.210 1.00 0.00 C ATOM 922 CG ASN A 65 4.040 -17.471 5.378 1.00 0.00 C ATOM 923 OD1 ASN A 65 4.366 -18.530 5.915 1.00 0.00 O ATOM 924 ND2 ASN A 65 3.996 -17.320 4.060 1.00 0.00 N ATOM 0 H ASN A 65 1.240 -17.389 7.645 1.00 0.00 H new ATOM 0 HA ASN A 65 1.935 -15.329 7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.121 -15.369 5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.077 -16.370 7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.238 -18.100 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.720 -16.424 3.658 1.00 0.00 H new ATOM 931 N SER A 66 0.302 -15.618 4.797 1.00 0.00 N ATOM 932 CA SER A 66 -0.336 -15.147 3.573 1.00 0.00 C ATOM 933 C SER A 66 -1.548 -14.278 3.891 1.00 0.00 C ATOM 934 O SER A 66 -2.290 -14.549 4.836 1.00 0.00 O ATOM 935 CB SER A 66 -0.759 -16.334 2.705 1.00 0.00 C ATOM 936 OG SER A 66 0.370 -17.034 2.213 1.00 0.00 O ATOM 0 H SER A 66 -0.341 -16.013 5.483 1.00 0.00 H new ATOM 0 HA SER A 66 0.387 -14.544 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.384 -17.010 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.364 -15.981 1.870 1.00 0.00 H new ATOM 0 HG SER A 66 0.849 -17.449 2.961 1.00 0.00 H new ATOM 942 N HIS A 67 -1.743 -13.231 3.096 1.00 0.00 N ATOM 943 CA HIS A 67 -2.866 -12.320 3.292 1.00 0.00 C ATOM 944 C HIS A 67 -3.322 -11.727 1.963 1.00 0.00 C ATOM 945 O HIS A 67 -2.514 -11.503 1.061 1.00 0.00 O ATOM 946 CB HIS A 67 -2.478 -11.200 4.257 1.00 0.00 C ATOM 947 CG HIS A 67 -2.065 -11.691 5.610 1.00 0.00 C ATOM 948 ND1 HIS A 67 -0.938 -12.321 6.017 1.00 0.00 N flip ATOM 949 CD2 HIS A 67 -2.854 -11.558 6.733 1.00 0.00 C flip ATOM 950 CE1 HIS A 67 -1.064 -12.552 7.365 1.00 0.00 C flip ATOM 951 NE2 HIS A 67 -2.229 -12.082 7.773 1.00 0.00 N flip ATOM 0 H HIS A 67 -1.138 -12.992 2.310 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.693 -12.888 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.660 -10.625 3.823 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.322 -10.519 4.369 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.831 -11.097 6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.330 -13.039 7.990 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.586 -12.117 8.728 1.00 0.00 H new ATOM 959 N CYS A 68 -4.622 -11.476 1.848 1.00 0.00 N ATOM 960 CA CYS A 68 -5.186 -10.910 0.628 1.00 0.00 C ATOM 961 C CYS A 68 -6.142 -9.766 0.950 1.00 0.00 C ATOM 962 O CYS A 68 -7.088 -9.932 1.721 1.00 0.00 O ATOM 963 CB CYS A 68 -5.917 -11.991 -0.170 1.00 0.00 C ATOM 964 SG CYS A 68 -6.238 -11.547 -1.893 1.00 0.00 S ATOM 0 H CYS A 68 -5.304 -11.656 2.584 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.366 -10.516 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.327 -12.907 -0.146 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.866 -12.210 0.320 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.857 -12.525 -2.485 1.00 0.00 H new ATOM 970 N VAL A 69 -5.888 -8.604 0.357 1.00 0.00 N ATOM 971 CA VAL A 69 -6.725 -7.432 0.581 1.00 0.00 C ATOM 972 C VAL A 69 -7.578 -7.123 -0.644 1.00 0.00 C ATOM 973 O VAL A 69 -7.076 -7.083 -1.768 1.00 0.00 O ATOM 974 CB VAL A 69 -5.876 -6.194 0.928 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.727 -4.934 0.887 1.00 0.00 C ATOM 976 CG2 VAL A 69 -5.224 -6.362 2.292 1.00 0.00 C ATOM 0 H VAL A 69 -5.109 -8.449 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.376 -7.665 1.424 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.087 -6.095 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.110 -4.070 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.143 -4.808 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.539 -5.019 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.628 -5.479 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.996 -6.486 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.580 -7.241 2.282 1.00 0.00 H new ATOM 986 N ARG A 70 -8.869 -6.904 -0.420 1.00 0.00 N ATOM 987 CA ARG A 70 -9.792 -6.599 -1.506 1.00 0.00 C ATOM 988 C ARG A 70 -10.578 -5.325 -1.210 1.00 0.00 C ATOM 989 O ARG A 70 -11.271 -5.231 -0.196 1.00 0.00 O ATOM 990 CB ARG A 70 -10.757 -7.766 -1.727 1.00 0.00 C ATOM 991 CG ARG A 70 -11.530 -8.162 -0.480 1.00 0.00 C ATOM 992 CD ARG A 70 -12.450 -9.343 -0.747 1.00 0.00 C ATOM 993 NE ARG A 70 -13.503 -9.454 0.259 1.00 0.00 N ATOM 994 CZ ARG A 70 -14.634 -10.125 0.069 1.00 0.00 C ATOM 995 NH1 ARG A 70 -14.856 -10.742 -1.084 1.00 0.00 N ATOM 996 NH2 ARG A 70 -15.544 -10.180 1.032 1.00 0.00 N ATOM 0 H ARG A 70 -9.300 -6.932 0.504 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.207 -6.443 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.464 -7.498 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.195 -8.629 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.831 -8.416 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.118 -7.313 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.901 -9.236 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.865 -10.262 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.362 -8.991 1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.158 -10.702 -1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.725 -11.257 -1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.376 -9.707 1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.412 -10.695 0.885 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.465 -4.346 -2.101 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.164 -3.076 -1.935 1.00 0.00 C ATOM 1012 C PHE A 71 -11.313 -2.358 -3.273 1.00 0.00 C ATOM 1013 O PHE A 71 -10.693 -2.738 -4.267 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.413 -2.183 -0.945 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.979 -1.943 -1.322 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -8.659 -1.145 -2.408 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -7.952 -2.516 -0.590 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -7.340 -0.923 -2.757 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -6.631 -2.297 -0.934 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.325 -1.499 -2.019 1.00 0.00 C ATOM 0 H PHE A 71 -9.896 -4.407 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.159 -3.286 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.926 -1.224 -0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.449 -2.640 0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.449 -0.691 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.186 -3.141 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.103 -0.299 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.839 -2.749 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.294 -1.326 -2.290 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.141 -1.318 -3.291 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.372 -0.546 -4.505 1.00 0.00 C ATOM 1032 C VAL A 72 -11.629 0.784 -4.461 1.00 0.00 C ATOM 1033 O VAL A 72 -12.121 1.781 -3.931 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.873 -0.276 -4.721 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -14.126 0.242 -6.129 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.684 -1.535 -4.454 1.00 0.00 C ATOM 0 H VAL A 72 -12.663 -0.991 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.994 -1.142 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.191 0.491 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.192 0.427 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.575 1.170 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.793 -0.500 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.742 -1.326 -4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.365 -2.325 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.527 -1.858 -3.425 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.415 0.803 -5.030 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.577 2.006 -5.070 1.00 0.00 C ATOM 1048 C PRO A 73 -10.139 3.073 -6.003 1.00 0.00 C ATOM 1049 O PRO A 73 -9.701 3.204 -7.145 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.237 1.487 -5.597 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.583 0.266 -6.376 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.766 -0.348 -5.680 1.00 0.00 C ATOM 0 HA PRO A 73 -9.509 2.488 -4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.744 2.230 -6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.554 1.255 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.825 0.518 -7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.744 -0.429 -6.406 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.435 -0.841 -6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.459 -1.100 -4.953 1.00 0.00 H new ATOM 1060 N GLN A 74 -11.111 3.833 -5.507 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.732 4.889 -6.298 1.00 0.00 C ATOM 1062 C GLN A 74 -11.538 6.250 -5.637 1.00 0.00 C ATOM 1063 O GLN A 74 -12.080 6.511 -4.563 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.224 4.607 -6.483 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.871 3.943 -5.278 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.336 4.304 -5.130 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.907 4.992 -5.977 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.954 3.841 -4.049 1.00 0.00 N ATOM 0 H GLN A 74 -11.485 3.737 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.249 4.908 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.740 5.545 -6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.359 3.968 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.775 2.861 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.335 4.236 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.442 3.274 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.940 4.052 -3.896 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.762 7.113 -6.286 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.497 8.446 -5.759 1.00 0.00 C ATOM 1079 C GLU A 75 -10.414 9.470 -6.887 1.00 0.00 C ATOM 1080 O GLU A 75 -10.563 9.130 -8.060 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.195 8.451 -4.955 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.167 7.423 -3.836 1.00 0.00 C ATOM 1083 CD GLU A 75 -7.757 7.020 -3.450 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -6.801 7.622 -3.984 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -7.609 6.105 -2.613 1.00 0.00 O ATOM 0 H GLU A 75 -10.307 6.913 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.323 8.720 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.360 8.264 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.044 9.443 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.677 7.828 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.722 6.538 -4.147 1.00 0.00 H new ATOM 1092 N MET A 76 -10.177 10.726 -6.522 1.00 0.00 N ATOM 1093 CA MET A 76 -10.074 11.800 -7.503 1.00 0.00 C ATOM 1094 C MET A 76 -8.615 12.099 -7.831 1.00 0.00 C ATOM 1095 O MET A 76 -8.307 13.088 -8.495 1.00 0.00 O ATOM 1096 CB MET A 76 -10.760 13.064 -6.981 1.00 0.00 C ATOM 1097 CG MET A 76 -12.276 12.955 -6.929 1.00 0.00 C ATOM 1098 SD MET A 76 -13.058 13.396 -8.492 1.00 0.00 S ATOM 1099 CE MET A 76 -14.789 13.325 -8.036 1.00 0.00 C ATOM 0 H MET A 76 -10.053 11.025 -5.555 1.00 0.00 H new ATOM 0 HA MET A 76 -10.574 11.474 -8.415 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.385 13.285 -5.982 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.486 13.906 -7.617 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.554 11.935 -6.663 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.656 13.605 -6.141 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.404 13.574 -8.901 1.00 0.00 H new ATOM 0 HE2 MET A 76 -15.034 12.319 -7.694 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.984 14.038 -7.235 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.718 11.236 -7.361 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.302 11.426 -7.615 1.00 0.00 C ATOM 1111 C GLY A 77 -5.502 10.154 -7.418 1.00 0.00 C ATOM 1112 O GLY A 77 -5.861 9.099 -7.941 1.00 0.00 O ATOM 0 H GLY A 77 -7.947 10.409 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.164 11.784 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.917 12.200 -6.951 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.413 10.253 -6.662 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.559 9.101 -6.397 1.00 0.00 C ATOM 1118 C VAL A 78 -4.063 8.307 -5.197 1.00 0.00 C ATOM 1119 O VAL A 78 -4.743 8.847 -4.324 1.00 0.00 O ATOM 1120 CB VAL A 78 -2.102 9.529 -6.141 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -1.958 10.127 -4.750 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.160 8.349 -6.323 1.00 0.00 C ATOM 0 H VAL A 78 -4.101 11.119 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.593 8.471 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.833 10.294 -6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.922 10.424 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.604 11.001 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.245 9.386 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.135 8.670 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.425 7.560 -5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.244 7.970 -7.342 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.724 7.022 -5.159 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.141 6.154 -4.065 1.00 0.00 C ATOM 1134 C HIS A 79 -2.937 5.685 -3.254 1.00 0.00 C ATOM 1135 O HIS A 79 -1.876 5.397 -3.808 1.00 0.00 O ATOM 1136 CB HIS A 79 -4.907 4.946 -4.607 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.079 5.315 -5.463 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.057 6.364 -6.357 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.313 4.767 -5.558 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.228 6.447 -6.965 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.007 5.488 -6.498 1.00 0.00 N ATOM 0 H HIS A 79 -3.162 6.560 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.797 6.727 -3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.225 4.324 -5.187 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.255 4.341 -3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.683 3.920 -4.999 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.501 7.174 -7.715 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.969 5.312 -6.789 1.00 0.00 H new ATOM 1149 N THR A 80 -3.108 5.612 -1.937 1.00 0.00 N ATOM 1150 CA THR A 80 -2.035 5.181 -1.050 1.00 0.00 C ATOM 1151 C THR A 80 -2.556 4.227 0.019 1.00 0.00 C ATOM 1152 O THR A 80 -3.530 4.525 0.710 1.00 0.00 O ATOM 1153 CB THR A 80 -1.356 6.381 -0.364 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.422 7.532 -1.214 1.00 0.00 O ATOM 1155 CG2 THR A 80 0.096 6.068 -0.038 1.00 0.00 C ATOM 0 H THR A 80 -3.980 5.846 -1.462 1.00 0.00 H new ATOM 0 HA THR A 80 -1.302 4.664 -1.669 1.00 0.00 H new ATOM 0 HB THR A 80 -1.884 6.586 0.567 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.990 8.291 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.554 6.931 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.142 5.209 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.634 5.839 -0.958 1.00 0.00 H new ATOM 1163 N VAL A 81 -1.900 3.078 0.151 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.296 2.081 1.138 1.00 0.00 C ATOM 1165 C VAL A 81 -1.617 2.335 2.479 1.00 0.00 C ATOM 1166 O VAL A 81 -0.404 2.536 2.544 1.00 0.00 O ATOM 1167 CB VAL A 81 -1.954 0.655 0.663 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.339 -0.366 1.723 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -2.647 0.354 -0.657 1.00 0.00 C ATOM 0 H VAL A 81 -1.092 2.815 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.376 2.167 1.259 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.878 0.590 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.091 -1.367 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.793 -0.159 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.410 -0.304 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.395 -0.657 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.726 0.435 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.317 1.068 -1.412 1.00 0.00 H new ATOM 1179 N SER A 82 -2.407 2.324 3.547 1.00 0.00 N ATOM 1180 CA SER A 82 -1.883 2.557 4.888 1.00 0.00 C ATOM 1181 C SER A 82 -1.734 1.242 5.649 1.00 0.00 C ATOM 1182 O SER A 82 -2.667 0.784 6.308 1.00 0.00 O ATOM 1183 CB SER A 82 -2.802 3.504 5.661 1.00 0.00 C ATOM 1184 OG SER A 82 -2.902 4.760 5.011 1.00 0.00 O ATOM 0 H SER A 82 -3.412 2.156 3.510 1.00 0.00 H new ATOM 0 HA SER A 82 -0.899 3.016 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.793 3.059 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.419 3.643 6.672 1.00 0.00 H new ATOM 0 HG SER A 82 -3.376 5.392 5.591 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.552 0.641 5.552 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.278 -0.620 6.231 1.00 0.00 C ATOM 1192 C VAL A 83 0.645 -0.412 7.426 1.00 0.00 C ATOM 1193 O VAL A 83 1.858 -0.264 7.269 1.00 0.00 O ATOM 1194 CB VAL A 83 0.360 -1.645 5.275 1.00 0.00 C ATOM 1195 CG1 VAL A 83 0.380 -3.027 5.909 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.382 -1.670 3.947 1.00 0.00 C ATOM 0 H VAL A 83 0.231 1.007 5.010 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.236 -1.006 6.579 1.00 0.00 H new ATOM 0 HB VAL A 83 1.390 -1.344 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.834 -3.738 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.960 -2.996 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.640 -3.340 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.083 -2.400 3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.423 -1.945 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.338 -0.683 3.487 1.00 0.00 H new ATOM 1206 N LYS A 84 0.064 -0.401 8.620 1.00 0.00 N ATOM 1207 CA LYS A 84 0.834 -0.213 9.844 1.00 0.00 C ATOM 1208 C LYS A 84 0.667 -1.405 10.781 1.00 0.00 C ATOM 1209 O LYS A 84 -0.451 -1.855 11.034 1.00 0.00 O ATOM 1210 CB LYS A 84 0.398 1.072 10.553 1.00 0.00 C ATOM 1211 CG LYS A 84 0.729 2.336 9.778 1.00 0.00 C ATOM 1212 CD LYS A 84 0.430 3.583 10.593 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.996 4.063 10.375 1.00 0.00 C ATOM 1214 NZ LYS A 84 -1.953 3.399 11.302 1.00 0.00 N ATOM 0 H LYS A 84 -0.938 -0.520 8.767 1.00 0.00 H new ATOM 0 HA LYS A 84 1.887 -0.132 9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.677 1.034 10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.878 1.119 11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.782 2.327 9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.153 2.358 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.587 3.373 11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.127 4.374 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.042 5.143 10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.292 3.865 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.770 4.022 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.277 2.504 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.481 3.206 12.209 1.00 0.00 H new ATOM 1228 N TYR A 85 1.783 -1.909 11.294 1.00 0.00 N ATOM 1229 CA TYR A 85 1.759 -3.049 12.203 1.00 0.00 C ATOM 1230 C TYR A 85 1.976 -2.601 13.645 1.00 0.00 C ATOM 1231 O TYR A 85 3.089 -2.253 14.038 1.00 0.00 O ATOM 1232 CB TYR A 85 2.831 -4.066 11.807 1.00 0.00 C ATOM 1233 CG TYR A 85 3.127 -5.085 12.884 1.00 0.00 C ATOM 1234 CD1 TYR A 85 2.133 -5.931 13.359 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.401 -5.200 13.428 1.00 0.00 C ATOM 1236 CE1 TYR A 85 2.399 -6.863 14.344 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.676 -6.129 14.412 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.672 -6.958 14.867 1.00 0.00 C ATOM 1239 OH TYR A 85 3.941 -7.885 15.848 1.00 0.00 O ATOM 0 H TYR A 85 2.716 -1.547 11.096 1.00 0.00 H new ATOM 0 HA TYR A 85 0.778 -3.518 12.131 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.510 -4.586 10.905 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.750 -3.535 11.559 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.135 -5.859 12.952 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.189 -4.552 13.075 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.615 -7.513 14.702 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.672 -6.206 14.823 1.00 0.00 H new ATOM 0 HH TYR A 85 4.884 -7.823 16.107 1.00 0.00 H new ATOM 1249 N ARG A 86 0.902 -2.614 14.429 1.00 0.00 N ATOM 1250 CA ARG A 86 0.973 -2.209 15.828 1.00 0.00 C ATOM 1251 C ARG A 86 1.449 -0.765 15.952 1.00 0.00 C ATOM 1252 O ARG A 86 2.168 -0.415 16.887 1.00 0.00 O ATOM 1253 CB ARG A 86 1.913 -3.135 16.602 1.00 0.00 C ATOM 1254 CG ARG A 86 1.293 -4.479 16.950 1.00 0.00 C ATOM 1255 CD ARG A 86 2.057 -5.172 18.068 1.00 0.00 C ATOM 1256 NE ARG A 86 1.773 -4.581 19.373 1.00 0.00 N ATOM 1257 CZ ARG A 86 2.145 -5.130 20.524 1.00 0.00 C ATOM 1258 NH1 ARG A 86 2.812 -6.275 20.532 1.00 0.00 N ATOM 1259 NH2 ARG A 86 1.849 -4.532 21.671 1.00 0.00 N ATOM 0 H ARG A 86 -0.027 -2.900 14.119 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.028 -2.281 16.253 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.813 -3.302 16.011 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.223 -2.638 17.521 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.255 -4.335 17.252 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.283 -5.116 16.066 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.795 -6.230 18.084 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.127 -5.112 17.868 1.00 0.00 H new ATOM 0 HE ARG A 86 1.261 -3.699 19.402 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.041 -6.738 19.652 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.096 -6.694 21.418 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.336 -3.651 21.669 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.135 -4.954 22.555 1.00 0.00 H new ATOM 1273 N GLY A 87 1.042 0.071 15.001 1.00 0.00 N ATOM 1274 CA GLY A 87 1.437 1.467 15.022 1.00 0.00 C ATOM 1275 C GLY A 87 2.814 1.689 14.429 1.00 0.00 C ATOM 1276 O GLY A 87 3.563 2.550 14.890 1.00 0.00 O ATOM 0 H GLY A 87 0.446 -0.194 14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.707 2.056 14.467 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.425 1.829 16.050 1.00 0.00 H new ATOM 1280 N GLN A 88 3.149 0.910 13.405 1.00 0.00 N ATOM 1281 CA GLN A 88 4.447 1.025 12.751 1.00 0.00 C ATOM 1282 C GLN A 88 4.338 0.700 11.265 1.00 0.00 C ATOM 1283 O GLN A 88 4.148 -0.456 10.884 1.00 0.00 O ATOM 1284 CB GLN A 88 5.461 0.093 13.416 1.00 0.00 C ATOM 1285 CG GLN A 88 5.705 0.407 14.883 1.00 0.00 C ATOM 1286 CD GLN A 88 6.764 1.473 15.084 1.00 0.00 C ATOM 1287 OE1 GLN A 88 7.939 1.167 15.285 1.00 0.00 O ATOM 1288 NE2 GLN A 88 6.352 2.735 15.031 1.00 0.00 N ATOM 0 H GLN A 88 2.540 0.193 13.011 1.00 0.00 H new ATOM 0 HA GLN A 88 4.788 2.055 12.855 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.110 -0.935 13.327 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.407 0.155 12.878 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.772 0.737 15.340 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.009 -0.503 15.400 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.368 2.944 14.862 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.020 3.495 15.159 1.00 0.00 H new ATOM 1297 N HIS A 89 4.459 1.726 10.429 1.00 0.00 N ATOM 1298 CA HIS A 89 4.374 1.549 8.983 1.00 0.00 C ATOM 1299 C HIS A 89 5.345 0.472 8.510 1.00 0.00 C ATOM 1300 O HIS A 89 6.547 0.550 8.765 1.00 0.00 O ATOM 1301 CB HIS A 89 4.669 2.868 8.269 1.00 0.00 C ATOM 1302 CG HIS A 89 3.476 3.766 8.151 1.00 0.00 C ATOM 1303 ND1 HIS A 89 2.443 3.532 7.268 1.00 0.00 N ATOM 1304 CD2 HIS A 89 3.154 4.902 8.813 1.00 0.00 C ATOM 1305 CE1 HIS A 89 1.538 4.487 7.390 1.00 0.00 C ATOM 1306 NE2 HIS A 89 1.945 5.330 8.321 1.00 0.00 N ATOM 0 H HIS A 89 4.616 2.689 10.727 1.00 0.00 H new ATOM 0 HA HIS A 89 3.360 1.231 8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.458 3.394 8.807 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.052 2.654 7.271 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.738 5.382 9.584 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.621 4.565 6.824 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.443 6.164 8.626 1.00 0.00 H new ATOM 1314 N VAL A 90 4.816 -0.533 7.820 1.00 0.00 N ATOM 1315 CA VAL A 90 5.636 -1.626 7.311 1.00 0.00 C ATOM 1316 C VAL A 90 6.562 -1.147 6.199 1.00 0.00 C ATOM 1317 O VAL A 90 6.534 0.022 5.813 1.00 0.00 O ATOM 1318 CB VAL A 90 4.765 -2.779 6.777 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.871 -3.327 7.878 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.938 -2.315 5.588 1.00 0.00 C ATOM 0 H VAL A 90 3.823 -0.613 7.601 1.00 0.00 H new ATOM 0 HA VAL A 90 6.234 -1.989 8.147 1.00 0.00 H new ATOM 0 HB VAL A 90 5.421 -3.582 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.263 -4.141 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.488 -3.700 8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.220 -2.534 8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.329 -3.142 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.290 -1.494 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.602 -1.976 4.793 1.00 0.00 H new ATOM 1330 N THR A 91 7.384 -2.057 5.687 1.00 0.00 N ATOM 1331 CA THR A 91 8.320 -1.728 4.620 1.00 0.00 C ATOM 1332 C THR A 91 7.619 -1.000 3.478 1.00 0.00 C ATOM 1333 O THR A 91 6.458 -1.271 3.177 1.00 0.00 O ATOM 1334 CB THR A 91 9.006 -2.991 4.064 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.506 -3.791 5.141 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.147 -2.620 3.129 1.00 0.00 C ATOM 0 H THR A 91 7.420 -3.029 5.995 1.00 0.00 H new ATOM 0 HA THR A 91 9.076 -1.074 5.054 1.00 0.00 H new ATOM 0 HB THR A 91 8.267 -3.561 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.939 -4.592 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.616 -3.528 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.758 -2.036 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.885 -2.030 3.672 1.00 0.00 H new ATOM 1344 N GLY A 92 8.333 -0.074 2.845 1.00 0.00 N ATOM 1345 CA GLY A 92 7.762 0.678 1.743 1.00 0.00 C ATOM 1346 C GLY A 92 6.307 1.033 1.976 1.00 0.00 C ATOM 1347 O GLY A 92 5.473 0.874 1.086 1.00 0.00 O ATOM 0 H GLY A 92 9.296 0.169 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.337 1.592 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.848 0.095 0.826 1.00 0.00 H new ATOM 1351 N SER A 93 6.002 1.514 3.177 1.00 0.00 N ATOM 1352 CA SER A 93 4.636 1.887 3.526 1.00 0.00 C ATOM 1353 C SER A 93 4.567 3.348 3.963 1.00 0.00 C ATOM 1354 O SER A 93 5.465 3.867 4.625 1.00 0.00 O ATOM 1355 CB SER A 93 4.107 0.984 4.642 1.00 0.00 C ATOM 1356 OG SER A 93 2.705 0.810 4.535 1.00 0.00 O ATOM 0 H SER A 93 6.682 1.655 3.924 1.00 0.00 H new ATOM 0 HA SER A 93 4.013 1.760 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.602 0.014 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.350 1.419 5.612 1.00 0.00 H new ATOM 0 HG SER A 93 2.340 0.554 5.408 1.00 0.00 H new ATOM 1362 N PRO A 94 3.475 4.027 3.583 1.00 0.00 N ATOM 1363 CA PRO A 94 2.399 3.419 2.793 1.00 0.00 C ATOM 1364 C PRO A 94 2.830 3.118 1.362 1.00 0.00 C ATOM 1365 O PRO A 94 3.868 3.594 0.902 1.00 0.00 O ATOM 1366 CB PRO A 94 1.301 4.485 2.808 1.00 0.00 C ATOM 1367 CG PRO A 94 2.025 5.770 3.023 1.00 0.00 C ATOM 1368 CD PRO A 94 3.205 5.441 3.894 1.00 0.00 C ATOM 0 HA PRO A 94 2.085 2.459 3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.746 4.495 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.579 4.299 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.348 6.199 2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.379 6.506 3.502 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.062 6.074 3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.977 5.584 4.950 1.00 0.00 H new ATOM 1376 N PHE A 95 2.026 2.325 0.661 1.00 0.00 N ATOM 1377 CA PHE A 95 2.324 1.960 -0.719 1.00 0.00 C ATOM 1378 C PHE A 95 1.523 2.818 -1.694 1.00 0.00 C ATOM 1379 O PHE A 95 0.303 2.693 -1.788 1.00 0.00 O ATOM 1380 CB PHE A 95 2.019 0.480 -0.955 1.00 0.00 C ATOM 1381 CG PHE A 95 2.736 -0.439 -0.008 1.00 0.00 C ATOM 1382 CD1 PHE A 95 4.057 -0.791 -0.231 1.00 0.00 C ATOM 1383 CD2 PHE A 95 2.089 -0.951 1.105 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.721 -1.636 0.639 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.747 -1.796 1.979 1.00 0.00 C ATOM 1386 CZ PHE A 95 4.064 -2.140 1.745 1.00 0.00 C ATOM 0 H PHE A 95 1.163 1.923 1.026 1.00 0.00 H new ATOM 0 HA PHE A 95 3.385 2.137 -0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.945 0.319 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.292 0.220 -1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.575 -0.401 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.059 -0.687 1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.751 -1.902 0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.232 -2.187 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.579 -2.802 2.425 1.00 0.00 H new ATOM 1396 N GLN A 96 2.220 3.690 -2.416 1.00 0.00 N ATOM 1397 CA GLN A 96 1.574 4.570 -3.382 1.00 0.00 C ATOM 1398 C GLN A 96 1.408 3.872 -4.728 1.00 0.00 C ATOM 1399 O GLN A 96 2.309 3.171 -5.190 1.00 0.00 O ATOM 1400 CB GLN A 96 2.386 5.855 -3.557 1.00 0.00 C ATOM 1401 CG GLN A 96 1.537 7.069 -3.896 1.00 0.00 C ATOM 1402 CD GLN A 96 2.309 8.124 -4.664 1.00 0.00 C ATOM 1403 OE1 GLN A 96 2.193 8.229 -5.885 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.103 8.914 -3.950 1.00 0.00 N ATOM 0 H GLN A 96 3.231 3.806 -2.350 1.00 0.00 H new ATOM 0 HA GLN A 96 0.585 4.823 -3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.939 6.054 -2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.122 5.705 -4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.676 6.753 -4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.150 7.506 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.169 8.792 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.647 9.643 -4.412 1.00 0.00 H new ATOM 1413 N PHE A 97 0.252 4.068 -5.353 1.00 0.00 N ATOM 1414 CA PHE A 97 -0.032 3.457 -6.646 1.00 0.00 C ATOM 1415 C PHE A 97 -1.066 4.272 -7.417 1.00 0.00 C ATOM 1416 O PHE A 97 -2.062 4.727 -6.854 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.534 2.024 -6.456 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.903 1.944 -5.845 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -3.036 2.005 -6.640 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.057 1.809 -4.474 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -4.298 1.931 -6.080 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -3.316 1.734 -3.909 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.438 1.797 -4.712 1.00 0.00 C ATOM 0 H PHE A 97 -0.504 4.646 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 97 0.893 3.438 -7.223 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.547 1.521 -7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.169 1.482 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.932 2.112 -7.710 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.184 1.762 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.173 1.978 -6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.423 1.626 -2.840 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.423 1.742 -4.272 1.00 0.00 H new ATOM 1433 N THR A 98 -0.821 4.453 -8.712 1.00 0.00 N ATOM 1434 CA THR A 98 -1.728 5.214 -9.562 1.00 0.00 C ATOM 1435 C THR A 98 -2.748 4.301 -10.233 1.00 0.00 C ATOM 1436 O THR A 98 -2.413 3.207 -10.686 1.00 0.00 O ATOM 1437 CB THR A 98 -0.961 5.993 -10.646 1.00 0.00 C ATOM 1438 OG1 THR A 98 0.156 6.674 -10.063 1.00 0.00 O ATOM 1439 CG2 THR A 98 -1.870 6.998 -11.337 1.00 0.00 C ATOM 0 H THR A 98 -0.002 4.083 -9.194 1.00 0.00 H new ATOM 0 HA THR A 98 -2.248 5.922 -8.916 1.00 0.00 H new ATOM 0 HB THR A 98 -0.604 5.280 -11.389 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.639 7.166 -10.760 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.305 7.536 -12.099 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.703 6.473 -11.806 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.254 7.706 -10.603 1.00 0.00 H new ATOM 1447 N VAL A 99 -3.994 4.759 -10.294 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.064 3.984 -10.913 1.00 0.00 C ATOM 1449 C VAL A 99 -5.447 4.562 -12.270 1.00 0.00 C ATOM 1450 O VAL A 99 -5.454 5.778 -12.459 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.314 3.938 -10.015 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.282 2.870 -10.503 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.921 3.691 -8.566 1.00 0.00 C ATOM 0 H VAL A 99 -4.288 5.662 -9.923 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.685 2.971 -11.048 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.816 4.904 -10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.160 2.852 -9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.588 3.096 -11.524 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.792 1.896 -10.478 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.817 3.662 -7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.395 2.739 -8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.269 4.495 -8.224 1.00 0.00 H new ATOM 1463 N GLY A 100 -5.766 3.682 -13.214 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.147 4.123 -14.543 1.00 0.00 C ATOM 1465 C GLY A 100 -7.587 3.785 -14.876 1.00 0.00 C ATOM 1466 O GLY A 100 -8.133 2.782 -14.416 1.00 0.00 O ATOM 0 H GLY A 100 -5.767 2.671 -13.082 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.003 5.201 -14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.489 3.660 -15.279 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.225 4.636 -15.693 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.619 4.444 -16.104 1.00 0.00 C ATOM 1472 C PRO A 101 -9.786 3.258 -17.049 1.00 0.00 C ATOM 1473 O PRO A 101 -8.843 2.501 -17.283 1.00 0.00 O ATOM 1474 CB PRO A 101 -9.960 5.752 -16.822 1.00 0.00 C ATOM 1475 CG PRO A 101 -8.650 6.273 -17.304 1.00 0.00 C ATOM 1476 CD PRO A 101 -7.635 5.852 -16.278 1.00 0.00 C ATOM 0 HA PRO A 101 -10.268 4.226 -15.256 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.647 5.581 -17.651 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.443 6.459 -16.148 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.405 5.866 -18.285 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.675 7.358 -17.406 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.665 5.650 -16.732 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.480 6.625 -15.526 1.00 0.00 H new ATOM 1484 N LEU A 102 -10.990 3.103 -17.588 1.00 0.00 N ATOM 1485 CA LEU A 102 -11.281 2.009 -18.508 1.00 0.00 C ATOM 1486 C LEU A 102 -10.945 2.402 -19.944 1.00 0.00 C ATOM 1487 O LEU A 102 -10.872 3.584 -20.274 1.00 0.00 O ATOM 1488 CB LEU A 102 -12.754 1.610 -18.408 1.00 0.00 C ATOM 1489 CG LEU A 102 -13.091 0.549 -17.359 1.00 0.00 C ATOM 1490 CD1 LEU A 102 -14.586 0.529 -17.082 1.00 0.00 C ATOM 1491 CD2 LEU A 102 -12.613 -0.822 -17.814 1.00 0.00 C ATOM 0 H LEU A 102 -11.780 3.721 -17.404 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.661 1.157 -18.229 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.338 2.504 -18.192 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.078 1.245 -19.383 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.574 0.803 -16.434 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.807 -0.232 -16.333 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.901 1.505 -16.712 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -15.123 0.300 -18.002 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.861 -1.564 -17.055 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.102 -1.085 -18.752 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.533 -0.801 -17.961 1.00 0.00 H new ATOM 1503 N GLY A 103 -10.745 1.399 -20.795 1.00 0.00 N ATOM 1504 CA GLY A 103 -10.423 1.660 -22.185 1.00 0.00 C ATOM 1505 C GLY A 103 -11.650 1.666 -23.074 1.00 0.00 C ATOM 1506 O GLY A 103 -12.744 1.315 -22.633 1.00 0.00 O ATOM 0 H GLY A 103 -10.800 0.411 -20.546 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.917 2.622 -22.263 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.724 0.903 -22.541 1.00 0.00 H new ATOM 1510 N GLU A 104 -11.469 2.068 -24.328 1.00 0.00 N ATOM 1511 CA GLU A 104 -12.573 2.120 -25.280 1.00 0.00 C ATOM 1512 C GLU A 104 -12.246 1.320 -26.537 1.00 0.00 C ATOM 1513 O GLU A 104 -11.094 1.260 -26.966 1.00 0.00 O ATOM 1514 CB GLU A 104 -12.886 3.571 -25.652 1.00 0.00 C ATOM 1515 CG GLU A 104 -13.269 4.436 -24.462 1.00 0.00 C ATOM 1516 CD GLU A 104 -14.702 4.216 -24.018 1.00 0.00 C ATOM 1517 OE1 GLU A 104 -15.569 4.016 -24.894 1.00 0.00 O ATOM 1518 OE2 GLU A 104 -14.956 4.245 -22.796 1.00 0.00 O ATOM 0 H GLU A 104 -10.569 2.362 -24.708 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.449 1.677 -24.806 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.016 4.007 -26.142 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.700 3.584 -26.377 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.598 4.221 -23.630 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.130 5.486 -24.721 1.00 0.00 H new ATOM 1525 N GLY A 105 -13.269 0.707 -27.125 1.00 0.00 N ATOM 1526 CA GLY A 105 -13.070 -0.082 -28.326 1.00 0.00 C ATOM 1527 C GLY A 105 -13.830 -1.393 -28.292 1.00 0.00 C ATOM 1528 O GLY A 105 -14.693 -1.596 -27.439 1.00 0.00 O ATOM 0 H GLY A 105 -14.232 0.743 -26.791 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.388 0.496 -29.194 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.006 -0.285 -28.451 1.00 0.00 H new ATOM 1532 N GLY A 106 -13.508 -2.287 -29.223 1.00 0.00 N ATOM 1533 CA GLY A 106 -14.177 -3.574 -29.278 1.00 0.00 C ATOM 1534 C GLY A 106 -14.301 -4.222 -27.914 1.00 0.00 C ATOM 1535 O GLY A 106 -13.456 -5.028 -27.524 1.00 0.00 O ATOM 0 H GLY A 106 -12.796 -2.143 -29.939 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.171 -3.445 -29.707 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -13.626 -4.238 -29.944 1.00 0.00 H new TER 1539 GLY A 106