USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 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 1 MET N :NH3+ -170:sc= -1.07! (180deg=-2.71) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.806 K(o=-0.26,f=-19!) USER MOD Single : A 1 MET CE :methyl -168:sc= -1.47 (180deg=-1.98!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -2.58! C(o=-2.6!,f=-2.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -3.53! USER MOD Single : A 9 MET CE :methyl 139:sc= -17! (180deg=-19.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.247 K(o=0.25,f=-1.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.15 K(o=1.1,f=-0.035) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.126 (180deg=-0.725) USER MOD Single : A 65 CYS SG : rot -14:sc= 0.227 USER MOD Single : A 68 ASN : amide:sc= -16.4! C(o=-16!,f=-18!) USER MOD Single : A 71 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 85 MET CE :methyl 179:sc= -13.4! (180deg=-13.5!) USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= -0.0543 (180deg=-0.198) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -104:sc= 0.161 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.923 K(o=-0.92,f=-6.5!) USER MOD Single : A 105 ASN : amide:sc= -2.77! C(o=-2.8!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.701 16.792 -2.508 1.00 0.00 N ATOM 2 CA MET A 1 4.466 17.399 -1.433 1.00 0.00 C ATOM 3 C MET A 1 3.582 18.307 -0.576 1.00 0.00 C ATOM 4 O MET A 1 3.589 18.207 0.651 1.00 0.00 O ATOM 5 CB MET A 1 5.616 18.218 -2.024 1.00 0.00 C ATOM 6 CG MET A 1 5.291 18.670 -3.450 1.00 0.00 C ATOM 7 SD MET A 1 6.613 19.688 -4.083 1.00 0.00 S ATOM 8 CE MET A 1 6.311 19.533 -5.836 1.00 0.00 C ATOM 0 H1 MET A 1 4.273 16.056 -2.969 1.00 0.00 H new ATOM 0 H2 MET A 1 2.836 16.365 -2.120 1.00 0.00 H new ATOM 0 H3 MET A 1 3.445 17.519 -3.206 1.00 0.00 H new ATOM 0 HA MET A 1 4.861 16.604 -0.800 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.807 19.089 -1.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.528 17.621 -2.027 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.150 17.801 -4.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.355 19.228 -3.459 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.164 19.928 -6.388 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.170 18.482 -6.089 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.415 20.094 -6.102 1.00 0.00 H new ATOM 16 N SER A 2 2.841 19.169 -1.254 1.00 0.00 N ATOM 17 CA SER A 2 1.952 20.095 -0.569 1.00 0.00 C ATOM 18 C SER A 2 1.656 21.297 -1.467 1.00 0.00 C ATOM 19 O SER A 2 0.566 21.866 -1.407 1.00 0.00 O ATOM 20 CB SER A 2 2.557 20.558 0.757 1.00 0.00 C ATOM 21 OG SER A 2 2.069 21.839 1.148 1.00 0.00 O ATOM 0 H SER A 2 2.837 19.247 -2.271 1.00 0.00 H new ATOM 0 HA SER A 2 1.019 19.576 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.327 19.830 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.643 20.596 0.667 1.00 0.00 H new ATOM 0 HG SER A 2 2.478 22.099 2.000 1.00 0.00 H new ATOM 26 N LYS A 3 2.644 21.648 -2.277 1.00 0.00 N ATOM 27 CA LYS A 3 2.500 22.772 -3.186 1.00 0.00 C ATOM 28 C LYS A 3 1.093 22.764 -3.784 1.00 0.00 C ATOM 29 O LYS A 3 0.272 23.623 -3.463 1.00 0.00 O ATOM 30 CB LYS A 3 3.615 22.757 -4.234 1.00 0.00 C ATOM 31 CG LYS A 3 3.742 24.120 -4.919 1.00 0.00 C ATOM 32 CD LYS A 3 5.076 24.785 -4.572 1.00 0.00 C ATOM 33 CE LYS A 3 5.902 25.046 -5.834 1.00 0.00 C ATOM 34 NZ LYS A 3 6.511 26.393 -5.785 1.00 0.00 N ATOM 0 H LYS A 3 3.546 21.174 -2.323 1.00 0.00 H new ATOM 0 HA LYS A 3 2.611 23.714 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.561 22.495 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.408 21.989 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.663 23.997 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.919 24.764 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.893 25.725 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.638 24.147 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.682 24.291 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.267 24.959 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.068 26.554 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.761 27.111 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.133 26.463 -4.954 1.00 0.00 H new ATOM 44 N SER A 4 0.856 21.785 -4.645 1.00 0.00 N ATOM 45 CA SER A 4 -0.440 21.654 -5.291 1.00 0.00 C ATOM 46 C SER A 4 -0.475 20.382 -6.140 1.00 0.00 C ATOM 47 O SER A 4 0.556 19.940 -6.646 1.00 0.00 O ATOM 48 CB SER A 4 -0.751 22.878 -6.154 1.00 0.00 C ATOM 49 OG SER A 4 -2.116 23.272 -6.048 1.00 0.00 O ATOM 0 H SER A 4 1.539 21.075 -4.910 1.00 0.00 H new ATOM 0 HA SER A 4 -1.204 21.587 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.110 23.706 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.517 22.656 -7.195 1.00 0.00 H new ATOM 0 HG SER A 4 -2.274 24.058 -6.612 1.00 0.00 H new ATOM 54 N ASN A 5 -1.671 19.827 -6.270 1.00 0.00 N ATOM 55 CA ASN A 5 -1.853 18.614 -7.047 1.00 0.00 C ATOM 56 C ASN A 5 -1.422 17.408 -6.212 1.00 0.00 C ATOM 57 O ASN A 5 -0.236 17.087 -6.143 1.00 0.00 O ATOM 58 CB ASN A 5 -0.999 18.639 -8.317 1.00 0.00 C ATOM 59 CG ASN A 5 -1.025 20.024 -8.968 1.00 0.00 C ATOM 60 OD1 ASN A 5 -0.092 20.803 -8.867 1.00 0.00 O ATOM 61 ND2 ASN A 5 -2.144 20.285 -9.638 1.00 0.00 N ATOM 0 H ASN A 5 -2.524 20.196 -5.850 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.906 18.545 -7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.028 18.366 -8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.368 17.895 -9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.260 21.183 -10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.886 19.587 -9.682 1.00 0.00 H new ATOM 67 N THR A 6 -2.408 16.771 -5.596 1.00 0.00 N ATOM 68 CA THR A 6 -2.145 15.607 -4.767 1.00 0.00 C ATOM 69 C THR A 6 -2.947 14.404 -5.269 1.00 0.00 C ATOM 70 O THR A 6 -3.952 14.566 -5.959 1.00 0.00 O ATOM 71 CB THR A 6 -2.454 15.980 -3.317 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.783 17.366 -3.377 1.00 0.00 O ATOM 73 CG2 THR A 6 -1.214 15.930 -2.421 1.00 0.00 C ATOM 0 H THR A 6 -3.390 17.039 -5.655 1.00 0.00 H new ATOM 0 HA THR A 6 -1.098 15.308 -4.825 1.00 0.00 H new ATOM 0 HB THR A 6 -3.213 15.304 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.999 17.690 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.490 16.204 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.801 14.921 -2.427 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.467 16.630 -2.795 1.00 0.00 H new ATOM 81 N TYR A 7 -2.470 13.223 -4.903 1.00 0.00 N ATOM 82 CA TYR A 7 -3.129 11.992 -5.308 1.00 0.00 C ATOM 83 C TYR A 7 -3.490 11.138 -4.090 1.00 0.00 C ATOM 84 O TYR A 7 -3.403 11.602 -2.955 1.00 0.00 O ATOM 85 CB TYR A 7 -2.114 11.232 -6.165 1.00 0.00 C ATOM 86 CG TYR A 7 -1.702 11.970 -7.440 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.665 12.496 -8.275 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.365 12.111 -7.754 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.275 13.190 -9.477 1.00 0.00 C ATOM 90 CE2 TYR A 7 0.024 12.806 -8.954 1.00 0.00 C ATOM 91 CZ TYR A 7 -0.950 13.311 -9.755 1.00 0.00 C ATOM 92 OH TYR A 7 -0.583 13.967 -10.890 1.00 0.00 O ATOM 0 H TYR A 7 -1.636 13.092 -4.331 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.051 12.210 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.224 11.035 -5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.536 10.264 -6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.711 12.388 -8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.389 11.700 -7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.019 13.604 -10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.066 12.923 -9.211 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.253 14.650 -11.104 1.00 0.00 H new ATOM 101 N ARG A 8 -3.890 9.906 -4.370 1.00 0.00 N ATOM 102 CA ARG A 8 -4.265 8.984 -3.312 1.00 0.00 C ATOM 103 C ARG A 8 -3.791 7.569 -3.649 1.00 0.00 C ATOM 104 O ARG A 8 -3.703 7.201 -4.820 1.00 0.00 O ATOM 105 CB ARG A 8 -5.782 8.970 -3.105 1.00 0.00 C ATOM 106 CG ARG A 8 -6.511 8.691 -4.420 1.00 0.00 C ATOM 107 CD ARG A 8 -7.484 7.520 -4.269 1.00 0.00 C ATOM 108 NE ARG A 8 -7.946 7.070 -5.601 1.00 0.00 N ATOM 109 CZ ARG A 8 -8.819 6.072 -5.796 1.00 0.00 C ATOM 110 NH1 ARG A 8 -9.330 5.415 -4.747 1.00 0.00 N ATOM 111 NH2 ARG A 8 -9.181 5.732 -7.041 1.00 0.00 N ATOM 0 H ARG A 8 -3.962 9.525 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.787 9.322 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.046 8.209 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.107 9.929 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.054 9.582 -4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.785 8.467 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.997 6.697 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.337 7.822 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.577 7.549 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.055 5.674 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.994 4.655 -4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.792 6.233 -7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.845 4.972 -7.189 1.00 0.00 H new ATOM 122 N MET A 9 -3.498 6.813 -2.601 1.00 0.00 N ATOM 123 CA MET A 9 -3.035 5.445 -2.770 1.00 0.00 C ATOM 124 C MET A 9 -4.079 4.447 -2.269 1.00 0.00 C ATOM 125 O MET A 9 -4.630 4.611 -1.182 1.00 0.00 O ATOM 126 CB MET A 9 -1.729 5.249 -1.999 1.00 0.00 C ATOM 127 CG MET A 9 -1.435 3.763 -1.788 1.00 0.00 C ATOM 128 SD MET A 9 0.329 3.490 -1.735 1.00 0.00 S ATOM 129 CE MET A 9 0.587 2.817 -3.368 1.00 0.00 C ATOM 0 H MET A 9 -3.572 7.121 -1.632 1.00 0.00 H new ATOM 0 HA MET A 9 -2.870 5.266 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.907 5.712 -2.545 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.793 5.751 -1.034 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.892 3.422 -0.859 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.878 3.178 -2.594 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.501 3.232 -3.792 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.676 1.733 -3.305 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.259 3.075 -4.006 1.00 0.00 H new ATOM 137 N LEU A 10 -4.320 3.430 -3.085 1.00 0.00 N ATOM 138 CA LEU A 10 -5.289 2.405 -2.738 1.00 0.00 C ATOM 139 C LEU A 10 -4.552 1.114 -2.378 1.00 0.00 C ATOM 140 O LEU A 10 -3.806 0.573 -3.193 1.00 0.00 O ATOM 141 CB LEU A 10 -6.315 2.236 -3.861 1.00 0.00 C ATOM 142 CG LEU A 10 -5.755 2.215 -5.284 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.572 1.284 -6.182 1.00 0.00 C ATOM 144 CD2 LEU A 10 -5.664 3.630 -5.858 1.00 0.00 C ATOM 0 H LEU A 10 -3.860 3.295 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.860 2.702 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.859 1.307 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.040 3.047 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.741 1.817 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.152 1.288 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.541 0.271 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.605 1.629 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.263 3.587 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.657 4.078 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.007 4.235 -5.233 1.00 0.00 H new ATOM 155 N VAL A 11 -4.786 0.657 -1.157 1.00 0.00 N ATOM 156 CA VAL A 11 -4.155 -0.561 -0.679 1.00 0.00 C ATOM 157 C VAL A 11 -5.138 -1.725 -0.810 1.00 0.00 C ATOM 158 O VAL A 11 -6.246 -1.670 -0.281 1.00 0.00 O ATOM 159 CB VAL A 11 -3.648 -0.364 0.751 1.00 0.00 C ATOM 160 CG1 VAL A 11 -3.179 -1.688 1.354 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.537 0.686 0.799 1.00 0.00 C ATOM 0 H VAL A 11 -5.405 1.109 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.283 -0.802 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.479 0.001 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.824 -1.519 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.009 -2.394 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.369 -2.096 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.195 0.807 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.704 0.363 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.920 1.638 0.430 1.00 0.00 H new ATOM 171 N LEU A 12 -4.698 -2.755 -1.519 1.00 0.00 N ATOM 172 CA LEU A 12 -5.525 -3.931 -1.727 1.00 0.00 C ATOM 173 C LEU A 12 -4.830 -5.152 -1.122 1.00 0.00 C ATOM 174 O LEU A 12 -3.641 -5.371 -1.351 1.00 0.00 O ATOM 175 CB LEU A 12 -5.869 -4.090 -3.208 1.00 0.00 C ATOM 176 CG LEU A 12 -4.708 -3.908 -4.189 1.00 0.00 C ATOM 177 CD1 LEU A 12 -4.823 -4.884 -5.363 1.00 0.00 C ATOM 178 CD2 LEU A 12 -4.609 -2.456 -4.659 1.00 0.00 C ATOM 0 H LEU A 12 -3.778 -2.799 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.480 -3.820 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.293 -5.083 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.648 -3.370 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.780 -4.141 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.986 -4.733 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.806 -5.907 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.759 -4.707 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.776 -2.355 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.535 -2.171 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.445 -1.806 -3.800 1.00 0.00 H new ATOM 189 N LEU A 13 -5.600 -5.915 -0.361 1.00 0.00 N ATOM 190 CA LEU A 13 -5.072 -7.110 0.277 1.00 0.00 C ATOM 191 C LEU A 13 -6.048 -8.269 0.063 1.00 0.00 C ATOM 192 O LEU A 13 -7.188 -8.220 0.524 1.00 0.00 O ATOM 193 CB LEU A 13 -4.756 -6.837 1.749 1.00 0.00 C ATOM 194 CG LEU A 13 -4.699 -8.062 2.661 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.278 -8.294 3.181 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.713 -7.946 3.801 1.00 0.00 C ATOM 0 H LEU A 13 -6.585 -5.730 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.126 -7.399 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.797 -6.323 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.508 -6.152 2.140 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.974 -8.937 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.266 -9.172 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.604 -8.454 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.951 -7.422 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.651 -8.831 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.493 -7.059 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.718 -7.866 3.387 1.00 0.00 H new ATOM 207 N GLU A 14 -5.564 -9.287 -0.634 1.00 0.00 N ATOM 208 CA GLU A 14 -6.380 -10.457 -0.915 1.00 0.00 C ATOM 209 C GLU A 14 -6.236 -11.485 0.209 1.00 0.00 C ATOM 210 O GLU A 14 -5.148 -12.008 0.441 1.00 0.00 O ATOM 211 CB GLU A 14 -6.012 -11.069 -2.268 1.00 0.00 C ATOM 212 CG GLU A 14 -6.990 -12.182 -2.649 1.00 0.00 C ATOM 213 CD GLU A 14 -6.386 -13.560 -2.379 1.00 0.00 C ATOM 214 OE1 GLU A 14 -6.555 -14.039 -1.236 1.00 0.00 O ATOM 215 OE2 GLU A 14 -5.767 -14.105 -3.319 1.00 0.00 O ATOM 0 H GLU A 14 -4.618 -9.326 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.423 -10.146 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.019 -10.295 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.999 -11.468 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.914 -12.069 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.251 -12.096 -3.704 1.00 0.00 H new ATOM 220 N ASP A 15 -7.351 -11.743 0.878 1.00 0.00 N ATOM 221 CA ASP A 15 -7.363 -12.698 1.973 1.00 0.00 C ATOM 222 C ASP A 15 -8.231 -13.899 1.587 1.00 0.00 C ATOM 223 O ASP A 15 -9.135 -13.774 0.762 1.00 0.00 O ATOM 224 CB ASP A 15 -7.954 -12.076 3.240 1.00 0.00 C ATOM 225 CG ASP A 15 -9.409 -11.621 3.120 1.00 0.00 C ATOM 226 OD1 ASP A 15 -9.679 -10.823 2.196 1.00 0.00 O ATOM 227 OD2 ASP A 15 -10.219 -12.081 3.952 1.00 0.00 O ATOM 0 H ASP A 15 -8.252 -11.307 0.682 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.334 -13.002 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.882 -12.802 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.344 -11.219 3.524 1.00 0.00 H new ATOM 231 N ASP A 16 -7.923 -15.032 2.200 1.00 0.00 N ATOM 232 CA ASP A 16 -8.663 -16.253 1.931 1.00 0.00 C ATOM 233 C ASP A 16 -9.481 -16.631 3.168 1.00 0.00 C ATOM 234 O ASP A 16 -8.921 -16.896 4.229 1.00 0.00 O ATOM 235 CB ASP A 16 -7.716 -17.413 1.617 1.00 0.00 C ATOM 236 CG ASP A 16 -7.137 -18.124 2.841 1.00 0.00 C ATOM 237 OD1 ASP A 16 -6.147 -17.594 3.392 1.00 0.00 O ATOM 238 OD2 ASP A 16 -7.698 -19.182 3.201 1.00 0.00 O ATOM 0 H ASP A 16 -7.171 -15.130 2.882 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.310 -16.074 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.250 -18.144 1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.892 -17.036 1.011 1.00 0.00 H new ATOM 242 N THR A 17 -10.794 -16.644 2.986 1.00 0.00 N ATOM 243 CA THR A 17 -11.695 -16.985 4.075 1.00 0.00 C ATOM 244 C THR A 17 -12.047 -18.473 4.029 1.00 0.00 C ATOM 245 O THR A 17 -11.517 -19.215 3.203 1.00 0.00 O ATOM 246 CB THR A 17 -12.917 -16.069 3.981 1.00 0.00 C ATOM 247 OG1 THR A 17 -13.385 -16.249 2.648 1.00 0.00 O ATOM 248 CG2 THR A 17 -12.543 -14.587 4.047 1.00 0.00 C ATOM 0 H THR A 17 -11.255 -16.424 2.103 1.00 0.00 H new ATOM 0 HA THR A 17 -11.223 -16.824 5.044 1.00 0.00 H new ATOM 0 HB THR A 17 -13.611 -16.305 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.178 -15.692 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.446 -13.980 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.040 -14.380 4.992 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.876 -14.343 3.220 1.00 0.00 H new ATOM 256 N LYS A 18 -12.938 -18.865 4.929 1.00 0.00 N ATOM 257 CA LYS A 18 -13.366 -20.252 5.002 1.00 0.00 C ATOM 258 C LYS A 18 -14.376 -20.410 6.140 1.00 0.00 C ATOM 259 O LYS A 18 -14.026 -20.868 7.227 1.00 0.00 O ATOM 260 CB LYS A 18 -12.156 -21.181 5.120 1.00 0.00 C ATOM 261 CG LYS A 18 -11.224 -20.727 6.247 1.00 0.00 C ATOM 262 CD LYS A 18 -10.953 -21.869 7.229 1.00 0.00 C ATOM 263 CE LYS A 18 -9.772 -21.538 8.142 1.00 0.00 C ATOM 264 NZ LYS A 18 -9.905 -22.242 9.437 1.00 0.00 N ATOM 0 H LYS A 18 -13.375 -18.247 5.613 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.873 -20.543 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.493 -22.200 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.611 -21.196 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.283 -20.374 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.671 -19.886 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.842 -22.054 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.745 -22.786 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.839 -21.827 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.725 -20.462 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.095 -22.006 10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.786 -21.946 9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.928 -23.269 9.273 1.00 0.00 H new ATOM 274 N ILE A 19 -15.609 -20.019 5.853 1.00 0.00 N ATOM 275 CA ILE A 19 -16.673 -20.113 6.839 1.00 0.00 C ATOM 276 C ILE A 19 -17.345 -21.483 6.729 1.00 0.00 C ATOM 277 O ILE A 19 -17.631 -21.953 5.629 1.00 0.00 O ATOM 278 CB ILE A 19 -17.642 -18.938 6.692 1.00 0.00 C ATOM 279 CG1 ILE A 19 -16.939 -17.608 6.970 1.00 0.00 C ATOM 280 CG2 ILE A 19 -18.874 -19.132 7.578 1.00 0.00 C ATOM 281 CD1 ILE A 19 -16.396 -17.563 8.399 1.00 0.00 C ATOM 0 H ILE A 19 -15.895 -19.636 4.952 1.00 0.00 H new ATOM 0 HA ILE A 19 -16.267 -20.038 7.848 1.00 0.00 H new ATOM 0 HB ILE A 19 -17.989 -18.907 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.122 -17.470 6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.637 -16.785 6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -19.547 -18.284 7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -19.389 -20.048 7.290 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -18.565 -19.202 8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -15.901 -16.607 8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -17.219 -17.677 9.105 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.680 -18.373 8.542 1.00 0.00 H new ATOM 292 N ASN A 20 -17.577 -22.086 7.887 1.00 0.00 N ATOM 293 CA ASN A 20 -18.209 -23.393 7.935 1.00 0.00 C ATOM 294 C ASN A 20 -19.640 -23.282 7.403 1.00 0.00 C ATOM 295 O ASN A 20 -19.971 -22.333 6.696 1.00 0.00 O ATOM 296 CB ASN A 20 -18.279 -23.918 9.370 1.00 0.00 C ATOM 297 CG ASN A 20 -16.971 -23.646 10.118 1.00 0.00 C ATOM 298 OD1 ASN A 20 -16.703 -22.548 10.574 1.00 0.00 O ATOM 299 ND2 ASN A 20 -16.173 -24.707 10.214 1.00 0.00 N ATOM 0 H ASN A 20 -17.339 -21.693 8.798 1.00 0.00 H new ATOM 0 HA ASN A 20 -17.616 -24.077 7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -19.108 -23.443 9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -18.480 -24.989 9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.276 -24.629 10.692 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.459 -25.598 9.809 1.00 0.00 H new ATOM 305 N LYS A 21 -20.450 -24.267 7.766 1.00 0.00 N ATOM 306 CA LYS A 21 -21.836 -24.292 7.332 1.00 0.00 C ATOM 307 C LYS A 21 -22.596 -23.145 8.002 1.00 0.00 C ATOM 308 O LYS A 21 -23.744 -22.872 7.656 1.00 0.00 O ATOM 309 CB LYS A 21 -22.452 -25.669 7.590 1.00 0.00 C ATOM 310 CG LYS A 21 -23.846 -25.772 6.965 1.00 0.00 C ATOM 311 CD LYS A 21 -24.924 -25.879 8.044 1.00 0.00 C ATOM 312 CE LYS A 21 -25.806 -27.108 7.818 1.00 0.00 C ATOM 313 NZ LYS A 21 -27.143 -26.702 7.325 1.00 0.00 N ATOM 0 H LYS A 21 -20.173 -25.052 8.355 1.00 0.00 H new ATOM 0 HA LYS A 21 -21.901 -24.134 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -21.806 -26.444 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -22.517 -25.847 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -24.035 -24.897 6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -23.892 -26.644 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.456 -25.939 9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.539 -24.979 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.333 -27.775 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.909 -27.666 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.730 -27.548 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.598 -26.083 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.041 -26.190 6.426 1.00 0.00 H new ATOM 323 N GLU A 22 -21.924 -22.505 8.946 1.00 0.00 N ATOM 324 CA GLU A 22 -22.522 -21.394 9.667 1.00 0.00 C ATOM 325 C GLU A 22 -22.924 -20.283 8.694 1.00 0.00 C ATOM 326 O GLU A 22 -23.689 -19.389 9.051 1.00 0.00 O ATOM 327 CB GLU A 22 -21.571 -20.862 10.743 1.00 0.00 C ATOM 328 CG GLU A 22 -21.162 -21.974 11.711 1.00 0.00 C ATOM 329 CD GLU A 22 -22.229 -22.184 12.787 1.00 0.00 C ATOM 330 OE1 GLU A 22 -22.283 -21.336 13.704 1.00 0.00 O ATOM 331 OE2 GLU A 22 -22.964 -23.187 12.669 1.00 0.00 O ATOM 0 H GLU A 22 -20.971 -22.734 9.229 1.00 0.00 H new ATOM 0 HA GLU A 22 -23.420 -21.754 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -20.683 -20.440 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -22.054 -20.055 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -21.008 -22.902 11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -20.212 -21.721 12.181 1.00 0.00 H new ATOM 336 N ASP A 23 -22.390 -20.378 7.485 1.00 0.00 N ATOM 337 CA ASP A 23 -22.684 -19.393 6.458 1.00 0.00 C ATOM 338 C ASP A 23 -22.623 -20.063 5.084 1.00 0.00 C ATOM 339 O ASP A 23 -23.645 -20.199 4.410 1.00 0.00 O ATOM 340 CB ASP A 23 -21.661 -18.257 6.475 1.00 0.00 C ATOM 341 CG ASP A 23 -22.164 -16.924 5.917 1.00 0.00 C ATOM 342 OD1 ASP A 23 -23.331 -16.903 5.467 1.00 0.00 O ATOM 343 OD2 ASP A 23 -21.371 -15.958 5.951 1.00 0.00 O ATOM 0 H ASP A 23 -21.756 -21.122 7.194 1.00 0.00 H new ATOM 0 HA ASP A 23 -23.676 -18.987 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -21.330 -18.102 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.787 -18.567 5.902 1.00 0.00 H new ATOM 347 N GLU A 24 -21.418 -20.464 4.709 1.00 0.00 N ATOM 348 CA GLU A 24 -21.212 -21.118 3.428 1.00 0.00 C ATOM 349 C GLU A 24 -19.882 -21.876 3.427 1.00 0.00 C ATOM 350 O GLU A 24 -18.819 -21.271 3.290 1.00 0.00 O ATOM 351 CB GLU A 24 -21.267 -20.107 2.280 1.00 0.00 C ATOM 352 CG GLU A 24 -22.184 -20.600 1.159 1.00 0.00 C ATOM 353 CD GLU A 24 -22.829 -19.424 0.423 1.00 0.00 C ATOM 354 OE1 GLU A 24 -22.059 -18.563 -0.056 1.00 0.00 O ATOM 355 OE2 GLU A 24 -24.077 -19.413 0.355 1.00 0.00 O ATOM 0 H GLU A 24 -20.574 -20.349 5.270 1.00 0.00 H new ATOM 0 HA GLU A 24 -22.018 -21.836 3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -21.626 -19.147 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.264 -19.942 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.612 -21.205 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -22.960 -21.243 1.575 1.00 0.00 H new ATOM 360 N LYS A 25 -19.985 -23.188 3.581 1.00 0.00 N ATOM 361 CA LYS A 25 -18.803 -24.034 3.598 1.00 0.00 C ATOM 362 C LYS A 25 -18.631 -24.689 2.226 1.00 0.00 C ATOM 363 O LYS A 25 -17.508 -24.872 1.759 1.00 0.00 O ATOM 364 CB LYS A 25 -18.880 -25.036 4.752 1.00 0.00 C ATOM 365 CG LYS A 25 -17.973 -26.240 4.494 1.00 0.00 C ATOM 366 CD LYS A 25 -17.435 -26.814 5.806 1.00 0.00 C ATOM 367 CE LYS A 25 -16.914 -28.239 5.609 1.00 0.00 C ATOM 368 NZ LYS A 25 -16.175 -28.690 6.810 1.00 0.00 N ATOM 0 H LYS A 25 -20.868 -23.686 3.695 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.909 -23.438 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.587 -24.548 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.909 -25.372 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.528 -27.009 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -17.141 -25.943 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.633 -26.179 6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.224 -26.812 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.747 -28.914 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.261 -28.277 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.828 -29.659 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.369 -28.056 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.809 -28.673 7.634 1.00 0.00 H new ATOM 378 N PHE A 26 -19.760 -25.023 1.619 1.00 0.00 N ATOM 379 CA PHE A 26 -19.747 -25.653 0.309 1.00 0.00 C ATOM 380 C PHE A 26 -18.939 -24.823 -0.690 1.00 0.00 C ATOM 381 O PHE A 26 -18.227 -25.375 -1.529 1.00 0.00 O ATOM 382 CB PHE A 26 -21.199 -25.728 -0.165 1.00 0.00 C ATOM 383 CG PHE A 26 -21.885 -27.062 0.141 1.00 0.00 C ATOM 384 CD1 PHE A 26 -21.404 -28.214 -0.399 1.00 0.00 C ATOM 385 CD2 PHE A 26 -22.976 -27.096 0.952 1.00 0.00 C ATOM 386 CE1 PHE A 26 -22.039 -29.451 -0.116 1.00 0.00 C ATOM 387 CE2 PHE A 26 -23.613 -28.333 1.235 1.00 0.00 C ATOM 388 CZ PHE A 26 -23.131 -29.485 0.695 1.00 0.00 C ATOM 0 H PHE A 26 -20.690 -24.870 2.010 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.289 -26.640 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -21.766 -24.924 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -21.229 -25.554 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.538 -28.187 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -23.358 -26.182 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -21.656 -30.365 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -24.480 -28.359 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 26 -23.615 -30.426 0.910 1.00 0.00 H new ATOM 397 N LEU A 27 -19.076 -23.511 -0.570 1.00 0.00 N ATOM 398 CA LEU A 27 -18.368 -22.600 -1.453 1.00 0.00 C ATOM 399 C LEU A 27 -16.887 -22.569 -1.065 1.00 0.00 C ATOM 400 O LEU A 27 -16.545 -22.741 0.104 1.00 0.00 O ATOM 401 CB LEU A 27 -19.035 -21.224 -1.447 1.00 0.00 C ATOM 402 CG LEU A 27 -18.329 -20.139 -0.630 1.00 0.00 C ATOM 403 CD1 LEU A 27 -17.903 -20.673 0.738 1.00 0.00 C ATOM 404 CD2 LEU A 27 -17.149 -19.549 -1.407 1.00 0.00 C ATOM 0 H LEU A 27 -19.667 -23.057 0.126 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.420 -22.949 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -19.119 -20.878 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.050 -21.336 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 27 -19.037 -19.329 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.404 -19.882 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -18.783 -21.007 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.218 -21.511 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.664 -18.781 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.432 -20.338 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.509 -19.108 -2.336 1.00 0.00 H new ATOM 415 N LYS A 28 -16.051 -22.346 -2.069 1.00 0.00 N ATOM 416 CA LYS A 28 -14.617 -22.289 -1.848 1.00 0.00 C ATOM 417 C LYS A 28 -14.273 -21.009 -1.083 1.00 0.00 C ATOM 418 O LYS A 28 -13.697 -20.082 -1.648 1.00 0.00 O ATOM 419 CB LYS A 28 -13.865 -22.435 -3.172 1.00 0.00 C ATOM 420 CG LYS A 28 -12.526 -23.147 -2.967 1.00 0.00 C ATOM 421 CD LYS A 28 -12.731 -24.646 -2.736 1.00 0.00 C ATOM 422 CE LYS A 28 -12.483 -25.014 -1.273 1.00 0.00 C ATOM 423 NZ LYS A 28 -11.685 -26.258 -1.179 1.00 0.00 N ATOM 0 H LYS A 28 -16.340 -22.203 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.293 -23.126 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.474 -22.996 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.694 -21.451 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.891 -22.993 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.006 -22.712 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.746 -24.926 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.055 -25.212 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.959 -24.200 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.435 -25.146 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.526 -26.494 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.199 -27.036 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.769 -26.120 -1.652 1.00 0.00 H new ATOM 433 N GLY A 29 -14.645 -20.999 0.188 1.00 0.00 N ATOM 434 CA GLY A 29 -14.384 -19.849 1.035 1.00 0.00 C ATOM 435 C GLY A 29 -14.022 -18.621 0.197 1.00 0.00 C ATOM 436 O GLY A 29 -12.851 -18.384 -0.091 1.00 0.00 O ATOM 0 H GLY A 29 -15.126 -21.770 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.263 -19.633 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -13.570 -20.077 1.723 1.00 0.00 H new ATOM 440 N LYS A 30 -15.052 -17.872 -0.172 1.00 0.00 N ATOM 441 CA LYS A 30 -14.858 -16.677 -0.974 1.00 0.00 C ATOM 442 C LYS A 30 -15.276 -15.450 -0.161 1.00 0.00 C ATOM 443 O LYS A 30 -16.428 -15.340 0.256 1.00 0.00 O ATOM 444 CB LYS A 30 -15.588 -16.805 -2.313 1.00 0.00 C ATOM 445 CG LYS A 30 -14.801 -16.123 -3.434 1.00 0.00 C ATOM 446 CD LYS A 30 -14.834 -16.960 -4.715 1.00 0.00 C ATOM 447 CE LYS A 30 -13.681 -17.964 -4.740 1.00 0.00 C ATOM 448 NZ LYS A 30 -13.397 -18.392 -6.129 1.00 0.00 N ATOM 0 H LYS A 30 -16.023 -18.070 0.070 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.804 -16.552 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.732 -17.858 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.579 -16.358 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.220 -15.136 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.768 -15.974 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.784 -17.490 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.770 -16.305 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.790 -17.514 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.933 -18.832 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.612 -19.074 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.244 -18.840 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.136 -17.564 -6.701 1.00 0.00 H new ATOM 458 N PRO A 31 -14.293 -14.533 0.045 1.00 0.00 N ATOM 459 CA PRO A 31 -14.546 -13.320 0.801 1.00 0.00 C ATOM 460 C PRO A 31 -15.352 -12.317 -0.027 1.00 0.00 C ATOM 461 O PRO A 31 -16.105 -11.514 0.525 1.00 0.00 O ATOM 462 CB PRO A 31 -13.169 -12.801 1.186 1.00 0.00 C ATOM 463 CG PRO A 31 -12.189 -13.480 0.243 1.00 0.00 C ATOM 464 CD PRO A 31 -12.915 -14.630 -0.435 1.00 0.00 C ATOM 0 HA PRO A 31 -15.153 -13.497 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.119 -11.717 1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.939 -13.037 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.820 -12.772 -0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.322 -13.847 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.867 -14.544 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.470 -15.590 -0.171 1.00 0.00 H new ATOM 469 N GLY A 32 -15.170 -12.396 -1.336 1.00 0.00 N ATOM 470 CA GLY A 32 -15.871 -11.505 -2.245 1.00 0.00 C ATOM 471 C GLY A 32 -15.094 -11.334 -3.553 1.00 0.00 C ATOM 472 O GLY A 32 -15.321 -12.069 -4.513 1.00 0.00 O ATOM 0 H GLY A 32 -14.547 -13.064 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -16.863 -11.903 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -16.011 -10.533 -1.771 1.00 0.00 H new ATOM 476 N LYS A 33 -14.197 -10.361 -3.548 1.00 0.00 N ATOM 477 CA LYS A 33 -13.386 -10.085 -4.722 1.00 0.00 C ATOM 478 C LYS A 33 -11.908 -10.261 -4.370 1.00 0.00 C ATOM 479 O LYS A 33 -11.516 -10.085 -3.217 1.00 0.00 O ATOM 480 CB LYS A 33 -13.722 -8.706 -5.292 1.00 0.00 C ATOM 481 CG LYS A 33 -13.822 -8.752 -6.818 1.00 0.00 C ATOM 482 CD LYS A 33 -15.264 -8.538 -7.281 1.00 0.00 C ATOM 483 CE LYS A 33 -15.704 -9.648 -8.239 1.00 0.00 C ATOM 484 NZ LYS A 33 -15.729 -9.151 -9.632 1.00 0.00 N ATOM 0 H LYS A 33 -14.013 -9.753 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 33 -13.611 -10.797 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.665 -8.355 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.956 -7.990 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.180 -7.985 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.459 -9.714 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.927 -8.515 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.351 -7.571 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.022 -10.495 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.693 -10.008 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.030 -9.917 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.397 -8.357 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.778 -8.829 -9.903 1.00 0.00 H new ATOM 494 N MET A 34 -11.127 -10.604 -5.383 1.00 0.00 N ATOM 495 CA MET A 34 -9.701 -10.807 -5.196 1.00 0.00 C ATOM 496 C MET A 34 -8.923 -9.520 -5.483 1.00 0.00 C ATOM 497 O MET A 34 -9.207 -8.823 -6.455 1.00 0.00 O ATOM 498 CB MET A 34 -9.215 -11.916 -6.127 1.00 0.00 C ATOM 499 CG MET A 34 -9.535 -11.587 -7.587 1.00 0.00 C ATOM 500 SD MET A 34 -8.051 -11.681 -8.573 1.00 0.00 S ATOM 501 CE MET A 34 -8.551 -12.910 -9.769 1.00 0.00 C ATOM 0 H MET A 34 -11.456 -10.747 -6.338 1.00 0.00 H new ATOM 0 HA MET A 34 -9.527 -11.092 -4.158 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.140 -12.050 -6.008 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.686 -12.859 -5.851 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.281 -12.283 -7.970 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.966 -10.588 -7.657 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.734 -13.091 -10.468 1.00 0.00 H new ATOM 0 HE2 MET A 34 -8.800 -13.838 -9.255 1.00 0.00 H new ATOM 0 HE3 MET A 34 -9.424 -12.552 -10.315 1.00 0.00 H new ATOM 509 N HIS A 35 -7.958 -9.245 -4.618 1.00 0.00 N ATOM 510 CA HIS A 35 -7.137 -8.055 -4.767 1.00 0.00 C ATOM 511 C HIS A 35 -8.037 -6.829 -4.942 1.00 0.00 C ATOM 512 O HIS A 35 -8.228 -6.350 -6.059 1.00 0.00 O ATOM 513 CB HIS A 35 -6.136 -8.224 -5.913 1.00 0.00 C ATOM 514 CG HIS A 35 -5.198 -9.394 -5.739 1.00 0.00 C ATOM 515 ND1 HIS A 35 -3.999 -9.298 -5.057 1.00 0.00 N ATOM 516 CD2 HIS A 35 -5.296 -10.686 -6.167 1.00 0.00 C ATOM 517 CE1 HIS A 35 -3.408 -10.483 -5.080 1.00 0.00 C ATOM 518 NE2 HIS A 35 -4.213 -11.342 -5.768 1.00 0.00 N ATOM 0 H HIS A 35 -7.726 -9.825 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.545 -7.903 -3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.685 -8.347 -6.847 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.548 -7.311 -6.007 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.115 -11.104 -6.734 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.456 -10.726 -4.632 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.016 -12.327 -5.947 1.00 0.00 H new ATOM 525 N GLU A 36 -8.565 -6.358 -3.823 1.00 0.00 N ATOM 526 CA GLU A 36 -9.439 -5.198 -3.838 1.00 0.00 C ATOM 527 C GLU A 36 -8.947 -4.149 -2.839 1.00 0.00 C ATOM 528 O GLU A 36 -8.403 -4.493 -1.789 1.00 0.00 O ATOM 529 CB GLU A 36 -10.887 -5.597 -3.544 1.00 0.00 C ATOM 530 CG GLU A 36 -11.824 -5.127 -4.659 1.00 0.00 C ATOM 531 CD GLU A 36 -12.597 -3.877 -4.233 1.00 0.00 C ATOM 532 OE1 GLU A 36 -12.865 -3.763 -3.018 1.00 0.00 O ATOM 533 OE2 GLU A 36 -12.903 -3.065 -5.132 1.00 0.00 O ATOM 0 H GLU A 36 -8.404 -6.759 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.412 -4.762 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.955 -6.680 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.201 -5.165 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.247 -4.913 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.524 -5.924 -4.911 1.00 0.00 H new ATOM 538 N PHE A 37 -9.153 -2.891 -3.200 1.00 0.00 N ATOM 539 CA PHE A 37 -8.737 -1.789 -2.348 1.00 0.00 C ATOM 540 C PHE A 37 -9.470 -1.828 -1.006 1.00 0.00 C ATOM 541 O PHE A 37 -10.652 -2.162 -0.950 1.00 0.00 O ATOM 542 CB PHE A 37 -9.104 -0.496 -3.079 1.00 0.00 C ATOM 543 CG PHE A 37 -10.561 -0.069 -2.894 1.00 0.00 C ATOM 544 CD1 PHE A 37 -10.935 0.605 -1.774 1.00 0.00 C ATOM 545 CD2 PHE A 37 -11.482 -0.363 -3.851 1.00 0.00 C ATOM 546 CE1 PHE A 37 -12.288 1.002 -1.602 1.00 0.00 C ATOM 547 CE2 PHE A 37 -12.835 0.034 -3.680 1.00 0.00 C ATOM 548 CZ PHE A 37 -13.209 0.708 -2.559 1.00 0.00 C ATOM 0 H PHE A 37 -9.603 -2.610 -4.071 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.667 -1.855 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.454 0.305 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.906 -0.624 -4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.203 0.839 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.184 -0.898 -4.741 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.585 1.537 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -13.567 -0.199 -4.440 1.00 0.00 H new ATOM 0 HZ PHE A 37 -14.238 1.010 -2.429 1.00 0.00 H new ATOM 557 N VAL A 38 -8.737 -1.482 0.042 1.00 0.00 N ATOM 558 CA VAL A 38 -9.302 -1.473 1.380 1.00 0.00 C ATOM 559 C VAL A 38 -9.642 -0.035 1.776 1.00 0.00 C ATOM 560 O VAL A 38 -10.628 0.205 2.471 1.00 0.00 O ATOM 561 CB VAL A 38 -8.340 -2.151 2.358 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.095 -1.293 2.587 1.00 0.00 C ATOM 563 CG2 VAL A 38 -9.038 -2.467 3.683 1.00 0.00 C ATOM 0 H VAL A 38 -7.756 -1.206 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.229 -2.045 1.407 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.020 -3.093 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.428 -1.798 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.579 -1.140 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.389 -0.328 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.332 -2.948 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.400 -1.543 4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.879 -3.135 3.501 1.00 0.00 H new ATOM 573 N ASP A 39 -8.806 0.885 1.317 1.00 0.00 N ATOM 574 CA ASP A 39 -9.006 2.294 1.614 1.00 0.00 C ATOM 575 C ASP A 39 -8.034 3.129 0.778 1.00 0.00 C ATOM 576 O ASP A 39 -7.052 2.607 0.254 1.00 0.00 O ATOM 577 CB ASP A 39 -8.734 2.588 3.090 1.00 0.00 C ATOM 578 CG ASP A 39 -9.976 2.900 3.926 1.00 0.00 C ATOM 579 OD1 ASP A 39 -11.027 3.166 3.304 1.00 0.00 O ATOM 580 OD2 ASP A 39 -9.848 2.865 5.169 1.00 0.00 O ATOM 0 H ASP A 39 -7.989 0.682 0.742 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.041 2.546 1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.226 1.729 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.048 3.433 3.156 1.00 0.00 H new ATOM 584 N GLU A 40 -8.342 4.414 0.680 1.00 0.00 N ATOM 585 CA GLU A 40 -7.509 5.327 -0.081 1.00 0.00 C ATOM 586 C GLU A 40 -6.926 6.406 0.833 1.00 0.00 C ATOM 587 O GLU A 40 -7.625 6.938 1.695 1.00 0.00 O ATOM 588 CB GLU A 40 -8.296 5.953 -1.236 1.00 0.00 C ATOM 589 CG GLU A 40 -9.599 6.577 -0.734 1.00 0.00 C ATOM 590 CD GLU A 40 -10.812 5.802 -1.253 1.00 0.00 C ATOM 591 OE1 GLU A 40 -11.002 4.661 -0.778 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.522 6.367 -2.113 1.00 0.00 O ATOM 0 H GLU A 40 -9.158 4.844 1.116 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.683 4.760 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.688 6.714 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.517 5.192 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.607 6.585 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.659 7.615 -1.061 1.00 0.00 H new ATOM 597 N LEU A 41 -5.652 6.696 0.618 1.00 0.00 N ATOM 598 CA LEU A 41 -4.968 7.699 1.414 1.00 0.00 C ATOM 599 C LEU A 41 -4.247 8.679 0.483 1.00 0.00 C ATOM 600 O LEU A 41 -3.687 8.276 -0.535 1.00 0.00 O ATOM 601 CB LEU A 41 -4.046 7.035 2.438 1.00 0.00 C ATOM 602 CG LEU A 41 -4.577 5.753 3.084 1.00 0.00 C ATOM 603 CD1 LEU A 41 -3.431 4.800 3.432 1.00 0.00 C ATOM 604 CD2 LEU A 41 -5.448 6.073 4.301 1.00 0.00 C ATOM 0 H LEU A 41 -5.075 6.253 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.686 8.278 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.098 6.807 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.833 7.756 3.228 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.212 5.242 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.835 3.897 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.889 4.535 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.751 5.288 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.813 5.145 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.857 6.617 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.295 6.685 3.991 1.00 0.00 H new ATOM 615 N ILE A 42 -4.285 9.947 0.867 1.00 0.00 N ATOM 616 CA ILE A 42 -3.644 10.986 0.079 1.00 0.00 C ATOM 617 C ILE A 42 -2.162 11.062 0.452 1.00 0.00 C ATOM 618 O ILE A 42 -1.822 11.275 1.615 1.00 0.00 O ATOM 619 CB ILE A 42 -4.387 12.313 0.239 1.00 0.00 C ATOM 620 CG1 ILE A 42 -5.893 12.124 0.055 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.823 13.374 -0.710 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.249 11.949 -1.422 1.00 0.00 C ATOM 0 H ILE A 42 -4.749 10.278 1.713 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.694 10.745 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.230 12.672 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.225 11.252 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.423 12.986 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.368 14.308 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.768 13.535 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.931 13.035 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.326 11.817 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.938 12.833 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.737 11.072 -1.818 1.00 0.00 H new ATOM 633 N LEU A 43 -1.322 10.881 -0.555 1.00 0.00 N ATOM 634 CA LEU A 43 0.117 10.928 -0.348 1.00 0.00 C ATOM 635 C LEU A 43 0.660 12.257 -0.873 1.00 0.00 C ATOM 636 O LEU A 43 0.115 12.825 -1.820 1.00 0.00 O ATOM 637 CB LEU A 43 0.789 9.700 -0.967 1.00 0.00 C ATOM 638 CG LEU A 43 -0.147 8.564 -1.384 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.749 8.827 -2.765 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.569 7.213 -1.318 1.00 0.00 C ATOM 0 H LEU A 43 -1.609 10.701 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 43 0.350 10.886 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.352 10.021 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.511 9.306 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.974 8.526 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.410 8.004 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.317 9.757 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.051 8.908 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.118 6.422 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.428 7.223 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.908 7.030 -0.298 1.00 0.00 H new ATOM 651 N PRO A 44 1.757 12.727 -0.222 1.00 0.00 N ATOM 652 CA PRO A 44 2.380 13.981 -0.615 1.00 0.00 C ATOM 653 C PRO A 44 3.179 13.815 -1.909 1.00 0.00 C ATOM 654 O PRO A 44 4.282 14.343 -2.035 1.00 0.00 O ATOM 655 CB PRO A 44 3.245 14.377 0.570 1.00 0.00 C ATOM 656 CG PRO A 44 3.439 13.111 1.388 1.00 0.00 C ATOM 657 CD PRO A 44 2.431 12.083 0.901 1.00 0.00 C ATOM 0 HA PRO A 44 1.652 14.761 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.203 14.777 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.763 15.154 1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.455 12.734 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.294 13.316 2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.924 11.161 0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.724 11.818 1.688 1.00 0.00 H new ATOM 662 N PHE A 45 2.590 13.076 -2.839 1.00 0.00 N ATOM 663 CA PHE A 45 3.233 12.834 -4.119 1.00 0.00 C ATOM 664 C PHE A 45 2.791 13.864 -5.160 1.00 0.00 C ATOM 665 O PHE A 45 1.598 14.122 -5.315 1.00 0.00 O ATOM 666 CB PHE A 45 2.798 11.441 -4.580 1.00 0.00 C ATOM 667 CG PHE A 45 3.135 11.135 -6.040 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.269 11.640 -6.597 1.00 0.00 C ATOM 669 CD2 PHE A 45 2.300 10.358 -6.783 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.582 11.356 -7.953 1.00 0.00 C ATOM 671 CE2 PHE A 45 2.614 10.075 -8.139 1.00 0.00 C ATOM 672 CZ PHE A 45 3.748 10.579 -8.695 1.00 0.00 C ATOM 0 H PHE A 45 1.675 12.638 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 45 4.315 12.909 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.273 10.694 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.722 11.342 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.931 12.257 -6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.399 9.957 -6.342 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.482 11.757 -8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.952 9.459 -8.729 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.986 10.362 -9.726 1.00 0.00 H new ATOM 681 N ASN A 46 3.775 14.423 -5.847 1.00 0.00 N ATOM 682 CA ASN A 46 3.503 15.419 -6.871 1.00 0.00 C ATOM 683 C ASN A 46 4.098 14.952 -8.200 1.00 0.00 C ATOM 684 O ASN A 46 4.976 14.092 -8.224 1.00 0.00 O ATOM 685 CB ASN A 46 4.138 16.764 -6.514 1.00 0.00 C ATOM 686 CG ASN A 46 3.079 17.764 -6.048 1.00 0.00 C ATOM 687 OD1 ASN A 46 2.856 17.967 -4.866 1.00 0.00 O ATOM 688 ND2 ASN A 46 2.441 18.378 -7.042 1.00 0.00 N ATOM 0 H ASN A 46 4.763 14.206 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 46 2.422 15.540 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.880 16.623 -5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.664 17.163 -7.381 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.716 19.065 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.677 18.161 -8.010 1.00 0.00 H new ATOM 694 N VAL A 47 3.595 15.540 -9.276 1.00 0.00 N ATOM 695 CA VAL A 47 4.065 15.197 -10.606 1.00 0.00 C ATOM 696 C VAL A 47 5.451 15.808 -10.826 1.00 0.00 C ATOM 697 O VAL A 47 6.192 15.377 -11.707 1.00 0.00 O ATOM 698 CB VAL A 47 3.043 15.642 -11.654 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.395 15.085 -13.035 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.626 15.237 -11.245 1.00 0.00 C ATOM 0 H VAL A 47 2.866 16.253 -9.253 1.00 0.00 H new ATOM 0 HA VAL A 47 4.166 14.116 -10.708 1.00 0.00 H new ATOM 0 HB VAL A 47 3.077 16.730 -11.713 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.653 15.416 -13.761 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.380 15.445 -13.333 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.404 13.996 -12.997 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.919 15.565 -12.007 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.572 14.153 -11.143 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.375 15.704 -10.292 1.00 0.00 H new ATOM 710 N ASP A 48 5.759 16.806 -10.009 1.00 0.00 N ATOM 711 CA ASP A 48 7.043 17.480 -10.102 1.00 0.00 C ATOM 712 C ASP A 48 7.932 17.039 -8.938 1.00 0.00 C ATOM 713 O ASP A 48 8.652 17.851 -8.359 1.00 0.00 O ATOM 714 CB ASP A 48 6.875 18.998 -10.019 1.00 0.00 C ATOM 715 CG ASP A 48 8.177 19.797 -10.081 1.00 0.00 C ATOM 716 OD1 ASP A 48 8.989 19.492 -10.980 1.00 0.00 O ATOM 717 OD2 ASP A 48 8.332 20.697 -9.226 1.00 0.00 O ATOM 0 H ASP A 48 5.141 17.163 -9.280 1.00 0.00 H new ATOM 0 HA ASP A 48 7.492 17.218 -11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.228 19.322 -10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.361 19.241 -9.089 1.00 0.00 H new ATOM 721 N GLU A 49 7.852 15.753 -8.628 1.00 0.00 N ATOM 722 CA GLU A 49 8.641 15.194 -7.544 1.00 0.00 C ATOM 723 C GLU A 49 8.817 13.687 -7.737 1.00 0.00 C ATOM 724 O GLU A 49 8.781 12.924 -6.773 1.00 0.00 O ATOM 725 CB GLU A 49 8.004 15.502 -6.188 1.00 0.00 C ATOM 726 CG GLU A 49 8.517 16.830 -5.629 1.00 0.00 C ATOM 727 CD GLU A 49 8.247 16.934 -4.126 1.00 0.00 C ATOM 728 OE1 GLU A 49 7.215 16.376 -3.696 1.00 0.00 O ATOM 729 OE2 GLU A 49 9.078 17.570 -3.442 1.00 0.00 O ATOM 0 H GLU A 49 7.253 15.082 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 49 9.626 15.660 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.920 15.542 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.227 14.698 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.587 16.918 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.033 17.658 -6.147 1.00 0.00 H new ATOM 734 N LEU A 50 9.002 13.301 -8.992 1.00 0.00 N ATOM 735 CA LEU A 50 9.185 11.898 -9.325 1.00 0.00 C ATOM 736 C LEU A 50 10.553 11.433 -8.820 1.00 0.00 C ATOM 737 O LEU A 50 10.673 10.347 -8.254 1.00 0.00 O ATOM 738 CB LEU A 50 8.973 11.671 -10.823 1.00 0.00 C ATOM 739 CG LEU A 50 7.517 11.621 -11.293 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.778 10.441 -10.660 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.809 12.951 -11.029 1.00 0.00 C ATOM 0 H LEU A 50 9.029 13.936 -9.790 1.00 0.00 H new ATOM 0 HA LEU A 50 8.435 11.286 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.483 12.466 -11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.456 10.734 -11.101 1.00 0.00 H new ATOM 0 HG LEU A 50 7.511 11.463 -12.372 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.746 10.428 -11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.269 9.510 -10.943 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.792 10.543 -9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.776 12.888 -11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.824 13.165 -9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.322 13.749 -11.566 1.00 0.00 H new ATOM 752 N ASP A 51 11.549 12.277 -9.044 1.00 0.00 N ATOM 753 CA ASP A 51 12.903 11.966 -8.617 1.00 0.00 C ATOM 754 C ASP A 51 12.939 11.854 -7.092 1.00 0.00 C ATOM 755 O ASP A 51 13.474 10.887 -6.550 1.00 0.00 O ATOM 756 CB ASP A 51 13.879 13.070 -9.033 1.00 0.00 C ATOM 757 CG ASP A 51 14.089 13.211 -10.543 1.00 0.00 C ATOM 758 OD1 ASP A 51 14.697 12.284 -11.120 1.00 0.00 O ATOM 759 OD2 ASP A 51 13.637 14.244 -11.084 1.00 0.00 O ATOM 0 H ASP A 51 11.446 13.176 -9.515 1.00 0.00 H new ATOM 0 HA ASP A 51 13.198 11.028 -9.087 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.518 14.021 -8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.844 12.878 -8.563 1.00 0.00 H new ATOM 763 N GLU A 52 12.366 12.855 -6.443 1.00 0.00 N ATOM 764 CA GLU A 52 12.327 12.881 -4.990 1.00 0.00 C ATOM 765 C GLU A 52 11.405 11.779 -4.463 1.00 0.00 C ATOM 766 O GLU A 52 11.674 11.188 -3.421 1.00 0.00 O ATOM 767 CB GLU A 52 11.890 14.255 -4.478 1.00 0.00 C ATOM 768 CG GLU A 52 12.672 14.647 -3.224 1.00 0.00 C ATOM 769 CD GLU A 52 11.926 15.720 -2.425 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.859 15.377 -1.874 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.441 16.858 -2.385 1.00 0.00 O ATOM 0 H GLU A 52 11.924 13.655 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 52 13.333 12.694 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.045 15.003 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.823 14.242 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.830 13.768 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.657 15.018 -3.507 1.00 0.00 H new ATOM 776 N LEU A 53 10.338 11.539 -5.210 1.00 0.00 N ATOM 777 CA LEU A 53 9.374 10.520 -4.830 1.00 0.00 C ATOM 778 C LEU A 53 10.012 9.138 -4.989 1.00 0.00 C ATOM 779 O LEU A 53 9.802 8.255 -4.158 1.00 0.00 O ATOM 780 CB LEU A 53 8.074 10.692 -5.619 1.00 0.00 C ATOM 781 CG LEU A 53 7.038 9.578 -5.454 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.905 10.017 -4.524 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.515 9.110 -6.814 1.00 0.00 C ATOM 0 H LEU A 53 10.119 12.032 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 53 9.099 10.627 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.615 11.635 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.323 10.776 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 53 7.526 8.723 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.182 9.207 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.313 10.262 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.411 10.895 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.780 8.318 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.048 9.948 -7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.344 8.731 -7.412 1.00 0.00 H new ATOM 794 N ASN A 54 10.778 8.993 -6.060 1.00 0.00 N ATOM 795 CA ASN A 54 11.445 7.734 -6.338 1.00 0.00 C ATOM 796 C ASN A 54 12.548 7.507 -5.301 1.00 0.00 C ATOM 797 O ASN A 54 12.809 6.373 -4.905 1.00 0.00 O ATOM 798 CB ASN A 54 12.096 7.749 -7.723 1.00 0.00 C ATOM 799 CG ASN A 54 11.207 7.050 -8.753 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.311 5.857 -8.995 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.330 7.854 -9.347 1.00 0.00 N ATOM 0 H ASN A 54 10.951 9.728 -6.746 1.00 0.00 H new ATOM 0 HA ASN A 54 10.698 6.941 -6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.278 8.778 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.066 7.254 -7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.692 7.482 -10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.295 8.843 -9.099 1.00 0.00 H new ATOM 807 N THR A 55 13.165 8.605 -4.891 1.00 0.00 N ATOM 808 CA THR A 55 14.233 8.540 -3.909 1.00 0.00 C ATOM 809 C THR A 55 13.664 8.234 -2.522 1.00 0.00 C ATOM 810 O THR A 55 14.194 7.389 -1.801 1.00 0.00 O ATOM 811 CB THR A 55 15.011 9.855 -3.967 1.00 0.00 C ATOM 812 OG1 THR A 55 16.374 9.461 -3.837 1.00 0.00 O ATOM 813 CG2 THR A 55 14.761 10.740 -2.744 1.00 0.00 C ATOM 0 H THR A 55 12.946 9.545 -5.221 1.00 0.00 H new ATOM 0 HA THR A 55 14.924 7.727 -4.131 1.00 0.00 H new ATOM 0 HB THR A 55 14.734 10.398 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.948 10.255 -3.866 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.338 11.660 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.700 10.981 -2.680 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.067 10.210 -1.842 1.00 0.00 H new ATOM 821 N TRP A 56 12.590 8.935 -2.189 1.00 0.00 N ATOM 822 CA TRP A 56 11.943 8.748 -0.902 1.00 0.00 C ATOM 823 C TRP A 56 11.276 7.371 -0.904 1.00 0.00 C ATOM 824 O TRP A 56 11.443 6.595 0.036 1.00 0.00 O ATOM 825 CB TRP A 56 10.962 9.885 -0.611 1.00 0.00 C ATOM 826 CG TRP A 56 9.509 9.432 -0.459 1.00 0.00 C ATOM 827 CD1 TRP A 56 9.043 8.358 0.191 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.343 10.089 -1.002 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.668 8.274 0.109 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.229 9.360 -0.639 1.00 0.00 C ATOM 831 CE3 TRP A 56 8.234 11.260 -1.772 1.00 0.00 C ATOM 832 CZ2 TRP A 56 5.925 9.720 -1.003 1.00 0.00 C ATOM 833 CZ3 TRP A 56 6.925 11.606 -2.127 1.00 0.00 C ATOM 834 CH2 TRP A 56 5.792 10.883 -1.770 1.00 0.00 C ATOM 0 H TRP A 56 12.152 9.634 -2.789 1.00 0.00 H new ATOM 0 HA TRP A 56 12.675 8.780 -0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.271 10.392 0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 56 11.021 10.617 -1.417 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.665 7.647 0.714 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.082 7.548 0.521 1.00 0.00 H new ATOM 0 HE3 TRP A 56 9.092 11.846 -2.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.069 9.132 -0.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.785 12.498 -2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.814 11.217 -2.083 1.00 0.00 H new ATOM 844 N PHE A 57 10.533 7.108 -1.970 1.00 0.00 N ATOM 845 CA PHE A 57 9.842 5.839 -2.106 1.00 0.00 C ATOM 846 C PHE A 57 10.826 4.668 -2.056 1.00 0.00 C ATOM 847 O PHE A 57 10.538 3.635 -1.455 1.00 0.00 O ATOM 848 CB PHE A 57 9.151 5.850 -3.472 1.00 0.00 C ATOM 849 CG PHE A 57 8.442 4.541 -3.821 1.00 0.00 C ATOM 850 CD1 PHE A 57 7.145 4.351 -3.454 1.00 0.00 C ATOM 851 CD2 PHE A 57 9.108 3.566 -4.498 1.00 0.00 C ATOM 852 CE1 PHE A 57 6.487 3.135 -3.778 1.00 0.00 C ATOM 853 CE2 PHE A 57 8.449 2.350 -4.823 1.00 0.00 C ATOM 854 CZ PHE A 57 7.152 2.161 -4.457 1.00 0.00 C ATOM 0 H PHE A 57 10.395 7.754 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 57 9.130 5.715 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.424 6.662 -3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.893 6.066 -4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.617 5.125 -2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.137 3.717 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.459 2.983 -3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.977 1.576 -5.360 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.650 1.238 -4.706 1.00 0.00 H new ATOM 863 N ASP A 58 11.969 4.871 -2.694 1.00 0.00 N ATOM 864 CA ASP A 58 12.999 3.845 -2.730 1.00 0.00 C ATOM 865 C ASP A 58 13.473 3.557 -1.305 1.00 0.00 C ATOM 866 O ASP A 58 13.642 2.398 -0.925 1.00 0.00 O ATOM 867 CB ASP A 58 14.207 4.306 -3.546 1.00 0.00 C ATOM 868 CG ASP A 58 15.371 3.315 -3.593 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.131 2.178 -4.055 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.477 3.717 -3.169 1.00 0.00 O ATOM 0 H ASP A 58 12.205 5.730 -3.190 1.00 0.00 H new ATOM 0 HA ASP A 58 12.572 2.954 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.881 4.509 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.568 5.248 -3.133 1.00 0.00 H new ATOM 874 N LYS A 59 13.676 4.629 -0.553 1.00 0.00 N ATOM 875 CA LYS A 59 14.129 4.505 0.822 1.00 0.00 C ATOM 876 C LYS A 59 13.010 3.898 1.670 1.00 0.00 C ATOM 877 O LYS A 59 13.237 2.945 2.415 1.00 0.00 O ATOM 878 CB LYS A 59 14.635 5.851 1.343 1.00 0.00 C ATOM 879 CG LYS A 59 15.170 5.720 2.771 1.00 0.00 C ATOM 880 CD LYS A 59 14.036 5.822 3.792 1.00 0.00 C ATOM 881 CE LYS A 59 14.586 6.063 5.200 1.00 0.00 C ATOM 882 NZ LYS A 59 15.929 5.457 5.343 1.00 0.00 N ATOM 0 H LYS A 59 13.535 5.588 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 59 14.980 3.826 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.422 6.226 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.826 6.582 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.682 4.765 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.906 6.501 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.365 6.635 3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.447 4.905 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.641 7.134 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.908 5.637 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.173 5.387 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.928 4.507 4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.631 6.051 4.858 1.00 0.00 H new ATOM 892 N PHE A 60 11.825 4.474 1.529 1.00 0.00 N ATOM 893 CA PHE A 60 10.670 4.000 2.273 1.00 0.00 C ATOM 894 C PHE A 60 10.357 2.543 1.931 1.00 0.00 C ATOM 895 O PHE A 60 9.861 1.796 2.774 1.00 0.00 O ATOM 896 CB PHE A 60 9.484 4.875 1.861 1.00 0.00 C ATOM 897 CG PHE A 60 8.819 5.612 3.025 1.00 0.00 C ATOM 898 CD1 PHE A 60 7.899 4.975 3.797 1.00 0.00 C ATOM 899 CD2 PHE A 60 9.148 6.905 3.289 1.00 0.00 C ATOM 900 CE1 PHE A 60 7.282 5.658 4.878 1.00 0.00 C ATOM 901 CE2 PHE A 60 8.532 7.588 4.370 1.00 0.00 C ATOM 902 CZ PHE A 60 7.611 6.951 5.141 1.00 0.00 C ATOM 0 H PHE A 60 11.640 5.264 0.911 1.00 0.00 H new ATOM 0 HA PHE A 60 10.867 4.059 3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.823 5.607 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.739 4.251 1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.637 3.948 3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.878 7.412 2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.552 5.151 5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.795 8.614 4.580 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.141 7.472 5.962 1.00 0.00 H new ATOM 911 N ASP A 61 10.658 2.181 0.692 1.00 0.00 N ATOM 912 CA ASP A 61 10.416 0.826 0.228 1.00 0.00 C ATOM 913 C ASP A 61 11.159 -0.159 1.132 1.00 0.00 C ATOM 914 O ASP A 61 10.636 -1.222 1.462 1.00 0.00 O ATOM 915 CB ASP A 61 10.926 0.634 -1.201 1.00 0.00 C ATOM 916 CG ASP A 61 10.820 -0.795 -1.738 1.00 0.00 C ATOM 917 OD1 ASP A 61 10.089 -1.587 -1.105 1.00 0.00 O ATOM 918 OD2 ASP A 61 11.476 -1.065 -2.769 1.00 0.00 O ATOM 0 H ASP A 61 11.068 2.803 -0.005 1.00 0.00 H new ATOM 0 HA ASP A 61 9.341 0.648 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.368 1.297 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.970 0.946 -1.243 1.00 0.00 H new ATOM 922 N ALA A 62 12.369 0.230 1.509 1.00 0.00 N ATOM 923 CA ALA A 62 13.190 -0.605 2.369 1.00 0.00 C ATOM 924 C ALA A 62 12.694 -0.487 3.812 1.00 0.00 C ATOM 925 O ALA A 62 12.592 -1.486 4.520 1.00 0.00 O ATOM 926 CB ALA A 62 14.658 -0.202 2.222 1.00 0.00 C ATOM 0 H ALA A 62 12.800 1.113 1.234 1.00 0.00 H new ATOM 0 HA ALA A 62 13.109 -1.652 2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.274 -0.829 2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.969 -0.333 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.779 0.843 2.508 1.00 0.00 H new ATOM 932 N GLU A 63 12.400 0.744 4.203 1.00 0.00 N ATOM 933 CA GLU A 63 11.919 1.008 5.549 1.00 0.00 C ATOM 934 C GLU A 63 10.591 0.285 5.787 1.00 0.00 C ATOM 935 O GLU A 63 10.296 -0.126 6.910 1.00 0.00 O ATOM 936 CB GLU A 63 11.776 2.510 5.796 1.00 0.00 C ATOM 937 CG GLU A 63 12.969 3.051 6.588 1.00 0.00 C ATOM 938 CD GLU A 63 12.562 4.255 7.439 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.838 5.115 6.896 1.00 0.00 O ATOM 940 OE2 GLU A 63 12.985 4.287 8.614 1.00 0.00 O ATOM 0 H GLU A 63 12.486 1.570 3.611 1.00 0.00 H new ATOM 0 HA GLU A 63 12.653 0.625 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.700 3.033 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.853 2.706 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.370 2.266 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.765 3.339 5.902 1.00 0.00 H new ATOM 945 N ILE A 64 9.826 0.150 4.714 1.00 0.00 N ATOM 946 CA ILE A 64 8.536 -0.516 4.793 1.00 0.00 C ATOM 947 C ILE A 64 8.726 -2.014 4.540 1.00 0.00 C ATOM 948 O ILE A 64 7.955 -2.834 5.036 1.00 0.00 O ATOM 949 CB ILE A 64 7.533 0.144 3.847 1.00 0.00 C ATOM 950 CG1 ILE A 64 6.844 1.332 4.523 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.525 -0.876 3.316 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.544 0.896 5.204 1.00 0.00 C ATOM 0 H ILE A 64 10.074 0.490 3.785 1.00 0.00 H new ATOM 0 HA ILE A 64 8.113 -0.410 5.792 1.00 0.00 H new ATOM 0 HB ILE A 64 8.079 0.533 2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.514 1.775 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.630 2.103 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.824 -0.379 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.053 -1.660 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.979 -1.317 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.074 1.758 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.867 0.476 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.764 0.143 5.961 1.00 0.00 H new ATOM 963 N CYS A 65 9.757 -2.326 3.767 1.00 0.00 N ATOM 964 CA CYS A 65 10.057 -3.709 3.441 1.00 0.00 C ATOM 965 C CYS A 65 10.737 -4.351 4.652 1.00 0.00 C ATOM 966 O CYS A 65 10.593 -5.549 4.888 1.00 0.00 O ATOM 967 CB CYS A 65 10.915 -3.820 2.180 1.00 0.00 C ATOM 968 SG CYS A 65 11.357 -5.570 1.876 1.00 0.00 S ATOM 0 H CYS A 65 10.395 -1.644 3.357 1.00 0.00 H new ATOM 0 HA CYS A 65 9.132 -4.242 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.372 -3.420 1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.819 -3.222 2.292 1.00 0.00 H new ATOM 0 HG CYS A 65 11.103 -6.273 2.940 1.00 0.00 H new ATOM 973 N ILE A 66 11.464 -3.523 5.389 1.00 0.00 N ATOM 974 CA ILE A 66 12.167 -3.994 6.571 1.00 0.00 C ATOM 975 C ILE A 66 11.171 -4.671 7.516 1.00 0.00 C ATOM 976 O ILE A 66 11.382 -5.808 7.934 1.00 0.00 O ATOM 977 CB ILE A 66 12.952 -2.851 7.219 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.427 -2.905 6.821 1.00 0.00 C ATOM 979 CG2 ILE A 66 12.766 -2.852 8.738 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.585 -2.909 5.299 1.00 0.00 C ATOM 0 H ILE A 66 11.581 -2.529 5.191 1.00 0.00 H new ATOM 0 HA ILE A 66 12.909 -4.745 6.299 1.00 0.00 H new ATOM 0 HB ILE A 66 12.554 -1.907 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.953 -2.048 7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.888 -3.799 7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.334 -2.030 9.175 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.709 -2.729 8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.122 -3.797 9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.644 -2.948 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.079 -3.780 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.145 -2.002 4.885 1.00 0.00 H new ATOM 991 N PRO A 67 10.080 -3.924 7.831 1.00 0.00 N ATOM 992 CA PRO A 67 9.052 -4.439 8.720 1.00 0.00 C ATOM 993 C PRO A 67 8.180 -5.474 8.008 1.00 0.00 C ATOM 994 O PRO A 67 7.239 -6.006 8.594 1.00 0.00 O ATOM 995 CB PRO A 67 8.272 -3.215 9.172 1.00 0.00 C ATOM 996 CG PRO A 67 8.594 -2.123 8.164 1.00 0.00 C ATOM 997 CD PRO A 67 9.797 -2.574 7.353 1.00 0.00 C ATOM 0 HA PRO A 67 9.465 -4.970 9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.202 -3.421 9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.563 -2.916 10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.740 -1.943 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.809 -1.184 8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.579 -2.569 6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.649 -1.912 7.507 1.00 0.00 H new ATOM 1002 N ASN A 68 8.524 -5.728 6.753 1.00 0.00 N ATOM 1003 CA ASN A 68 7.783 -6.689 5.954 1.00 0.00 C ATOM 1004 C ASN A 68 8.535 -8.022 5.941 1.00 0.00 C ATOM 1005 O ASN A 68 9.764 -8.046 5.929 1.00 0.00 O ATOM 1006 CB ASN A 68 7.643 -6.212 4.507 1.00 0.00 C ATOM 1007 CG ASN A 68 6.846 -4.909 4.435 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.228 -4.475 5.392 1.00 0.00 O ATOM 1009 ND2 ASN A 68 6.894 -4.310 3.248 1.00 0.00 N ATOM 0 H ASN A 68 9.306 -5.285 6.271 1.00 0.00 H new ATOM 0 HA ASN A 68 6.792 -6.800 6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.631 -6.063 4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.146 -6.980 3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.394 -3.434 3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.431 -4.727 2.488 1.00 0.00 H new ATOM 1015 N GLU A 69 7.763 -9.099 5.945 1.00 0.00 N ATOM 1016 CA GLU A 69 8.341 -10.434 5.933 1.00 0.00 C ATOM 1017 C GLU A 69 7.758 -11.254 4.782 1.00 0.00 C ATOM 1018 O GLU A 69 7.121 -12.281 5.007 1.00 0.00 O ATOM 1019 CB GLU A 69 8.122 -11.137 7.273 1.00 0.00 C ATOM 1020 CG GLU A 69 9.374 -11.049 8.150 1.00 0.00 C ATOM 1021 CD GLU A 69 9.737 -12.420 8.726 1.00 0.00 C ATOM 1022 OE1 GLU A 69 9.004 -12.864 9.638 1.00 0.00 O ATOM 1023 OE2 GLU A 69 10.738 -12.992 8.243 1.00 0.00 O ATOM 0 H GLU A 69 6.743 -9.075 5.956 1.00 0.00 H new ATOM 0 HA GLU A 69 9.416 -10.342 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.278 -10.683 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.866 -12.183 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.208 -10.665 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.204 -10.342 8.962 1.00 0.00 H new ATOM 1028 N GLY A 70 7.997 -10.770 3.572 1.00 0.00 N ATOM 1029 CA GLY A 70 7.503 -11.447 2.383 1.00 0.00 C ATOM 1030 C GLY A 70 7.719 -10.589 1.135 1.00 0.00 C ATOM 1031 O GLY A 70 8.562 -9.693 1.131 1.00 0.00 O ATOM 0 H GLY A 70 8.526 -9.917 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.014 -12.402 2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.442 -11.666 2.499 1.00 0.00 H new ATOM 1035 N HIS A 71 6.943 -10.894 0.106 1.00 0.00 N ATOM 1036 CA HIS A 71 7.038 -10.161 -1.146 1.00 0.00 C ATOM 1037 C HIS A 71 5.979 -9.057 -1.175 1.00 0.00 C ATOM 1038 O HIS A 71 4.924 -9.187 -0.557 1.00 0.00 O ATOM 1039 CB HIS A 71 6.937 -11.112 -2.341 1.00 0.00 C ATOM 1040 CG HIS A 71 8.109 -12.054 -2.475 1.00 0.00 C ATOM 1041 ND1 HIS A 71 8.827 -12.194 -3.650 1.00 0.00 N ATOM 1042 CD2 HIS A 71 8.679 -12.902 -1.573 1.00 0.00 C ATOM 1043 CE1 HIS A 71 9.785 -13.088 -3.452 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.691 -13.526 -2.163 1.00 0.00 N ATOM 0 H HIS A 71 6.246 -11.638 0.113 1.00 0.00 H new ATOM 0 HA HIS A 71 8.014 -9.682 -1.219 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.022 -11.697 -2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.850 -10.524 -3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.361 -13.043 -0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.512 -13.413 -4.182 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.298 -14.219 -1.725 1.00 0.00 H new ATOM 1051 N ILE A 72 6.298 -7.996 -1.902 1.00 0.00 N ATOM 1052 CA ILE A 72 5.387 -6.870 -2.021 1.00 0.00 C ATOM 1053 C ILE A 72 5.434 -6.331 -3.452 1.00 0.00 C ATOM 1054 O ILE A 72 6.490 -6.329 -4.084 1.00 0.00 O ATOM 1055 CB ILE A 72 5.695 -5.815 -0.957 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.845 -4.908 -1.400 1.00 0.00 C ATOM 1057 CG2 ILE A 72 5.972 -6.470 0.398 1.00 0.00 C ATOM 1058 CD1 ILE A 72 7.172 -3.871 -0.323 1.00 0.00 C ATOM 0 H ILE A 72 7.174 -7.892 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 72 4.362 -7.189 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 72 4.815 -5.183 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.729 -5.511 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.577 -4.402 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.188 -5.699 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.097 -7.039 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.828 -7.139 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.993 -3.239 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.294 -3.254 -0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.463 -4.380 0.596 1.00 0.00 H new ATOM 1069 N LYS A 73 4.278 -5.886 -3.922 1.00 0.00 N ATOM 1070 CA LYS A 73 4.174 -5.346 -5.266 1.00 0.00 C ATOM 1071 C LYS A 73 3.381 -4.038 -5.227 1.00 0.00 C ATOM 1072 O LYS A 73 2.403 -3.924 -4.488 1.00 0.00 O ATOM 1073 CB LYS A 73 3.591 -6.390 -6.221 1.00 0.00 C ATOM 1074 CG LYS A 73 2.065 -6.298 -6.270 1.00 0.00 C ATOM 1075 CD LYS A 73 1.468 -7.478 -7.040 1.00 0.00 C ATOM 1076 CE LYS A 73 0.464 -6.996 -8.089 1.00 0.00 C ATOM 1077 NZ LYS A 73 0.884 -7.423 -9.442 1.00 0.00 N ATOM 0 H LYS A 73 3.405 -5.889 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 73 5.163 -5.108 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.000 -6.242 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.888 -7.388 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.666 -6.282 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.769 -5.362 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.265 -8.041 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.975 -8.158 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.525 -7.396 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.384 -5.910 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.192 -7.088 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.818 -7.021 -9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.937 -8.461 -9.477 1.00 0.00 H new ATOM 1087 N TYR A 74 3.829 -3.086 -6.030 1.00 0.00 N ATOM 1088 CA TYR A 74 3.171 -1.792 -6.097 1.00 0.00 C ATOM 1089 C TYR A 74 3.122 -1.275 -7.537 1.00 0.00 C ATOM 1090 O TYR A 74 3.921 -1.687 -8.377 1.00 0.00 O ATOM 1091 CB TYR A 74 4.027 -0.841 -5.256 1.00 0.00 C ATOM 1092 CG TYR A 74 5.530 -1.114 -5.345 1.00 0.00 C ATOM 1093 CD1 TYR A 74 6.234 -0.735 -6.471 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.182 -1.736 -4.301 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.648 -0.991 -6.555 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.597 -1.992 -4.385 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.260 -1.607 -5.508 1.00 0.00 C ATOM 1098 OH TYR A 74 9.596 -1.848 -5.586 1.00 0.00 O ATOM 0 H TYR A 74 4.640 -3.184 -6.641 1.00 0.00 H new ATOM 0 HA TYR A 74 2.145 -1.864 -5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.835 0.183 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.716 -0.914 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.724 -0.247 -7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.631 -2.031 -3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.211 -0.700 -7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.119 -2.479 -3.575 1.00 0.00 H new ATOM 0 HH TYR A 74 9.897 -2.292 -4.766 1.00 0.00 H new ATOM 1107 N GLU A 75 2.176 -0.380 -7.777 1.00 0.00 N ATOM 1108 CA GLU A 75 2.011 0.197 -9.100 1.00 0.00 C ATOM 1109 C GLU A 75 1.772 1.705 -8.996 1.00 0.00 C ATOM 1110 O GLU A 75 0.755 2.140 -8.458 1.00 0.00 O ATOM 1111 CB GLU A 75 0.872 -0.488 -9.859 1.00 0.00 C ATOM 1112 CG GLU A 75 1.340 -0.971 -11.233 1.00 0.00 C ATOM 1113 CD GLU A 75 1.599 -2.479 -11.224 1.00 0.00 C ATOM 1114 OE1 GLU A 75 2.746 -2.857 -10.900 1.00 0.00 O ATOM 1115 OE2 GLU A 75 0.645 -3.220 -11.542 1.00 0.00 O ATOM 0 H GLU A 75 1.516 -0.040 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 75 2.929 0.033 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.501 -1.333 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.040 0.206 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.586 -0.732 -11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.250 -0.444 -11.517 1.00 0.00 H new ATOM 1120 N ILE A 76 2.726 2.462 -9.520 1.00 0.00 N ATOM 1121 CA ILE A 76 2.631 3.911 -9.493 1.00 0.00 C ATOM 1122 C ILE A 76 2.534 4.437 -10.926 1.00 0.00 C ATOM 1123 O ILE A 76 3.447 4.239 -11.728 1.00 0.00 O ATOM 1124 CB ILE A 76 3.792 4.507 -8.694 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.487 4.500 -7.195 1.00 0.00 C ATOM 1126 CG2 ILE A 76 4.142 5.908 -9.201 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.502 5.346 -6.425 1.00 0.00 C ATOM 0 H ILE A 76 3.568 2.098 -9.966 1.00 0.00 H new ATOM 0 HA ILE A 76 1.724 4.226 -8.977 1.00 0.00 H new ATOM 0 HB ILE A 76 4.670 3.879 -8.846 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.482 4.885 -7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.504 3.476 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.970 6.310 -8.617 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.431 5.853 -10.251 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.275 6.560 -9.097 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.262 5.324 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.503 4.943 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.465 6.375 -6.784 1.00 0.00 H new ATOM 1138 N SER A 77 1.422 5.100 -11.206 1.00 0.00 N ATOM 1139 CA SER A 77 1.194 5.657 -12.528 1.00 0.00 C ATOM 1140 C SER A 77 1.472 7.162 -12.518 1.00 0.00 C ATOM 1141 O SER A 77 0.832 7.911 -11.780 1.00 0.00 O ATOM 1142 CB SER A 77 -0.235 5.384 -13.002 1.00 0.00 C ATOM 1143 OG SER A 77 -0.354 5.475 -14.419 1.00 0.00 O ATOM 0 H SER A 77 0.668 5.264 -10.539 1.00 0.00 H new ATOM 0 HA SER A 77 1.878 5.173 -13.225 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.542 4.390 -12.676 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.914 6.097 -12.535 1.00 0.00 H new ATOM 0 HG SER A 77 -1.280 5.293 -14.682 1.00 0.00 H new ATOM 1148 N SER A 78 2.429 7.560 -13.343 1.00 0.00 N ATOM 1149 CA SER A 78 2.800 8.962 -13.438 1.00 0.00 C ATOM 1150 C SER A 78 1.546 9.826 -13.587 1.00 0.00 C ATOM 1151 O SER A 78 1.527 10.979 -13.158 1.00 0.00 O ATOM 1152 CB SER A 78 3.752 9.202 -14.612 1.00 0.00 C ATOM 1153 OG SER A 78 4.675 8.128 -14.779 1.00 0.00 O ATOM 0 H SER A 78 2.959 6.936 -13.952 1.00 0.00 H new ATOM 0 HA SER A 78 3.319 9.241 -12.521 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.174 9.329 -15.527 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.301 10.130 -14.450 1.00 0.00 H new ATOM 0 HG SER A 78 5.264 8.318 -15.539 1.00 0.00 H new ATOM 1158 N ASP A 79 0.527 9.235 -14.196 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.727 9.937 -14.408 1.00 0.00 C ATOM 1160 C ASP A 79 -1.217 10.508 -13.077 1.00 0.00 C ATOM 1161 O ASP A 79 -1.991 11.464 -13.054 1.00 0.00 O ATOM 1162 CB ASP A 79 -1.804 8.989 -14.940 1.00 0.00 C ATOM 1163 CG ASP A 79 -3.167 9.637 -15.192 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -3.203 10.590 -16.000 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -4.143 9.165 -14.570 1.00 0.00 O ATOM 0 H ASP A 79 0.545 8.278 -14.549 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.552 10.730 -15.135 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.450 8.547 -15.872 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.932 8.173 -14.229 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.745 9.901 -11.997 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.127 10.337 -10.664 1.00 0.00 C ATOM 1171 C GLY A 80 -2.000 9.288 -9.973 1.00 0.00 C ATOM 1172 O GLY A 80 -2.990 9.628 -9.328 1.00 0.00 O ATOM 0 H GLY A 80 -0.101 9.110 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.233 10.521 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.668 11.281 -10.727 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.601 8.035 -10.132 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.335 6.934 -9.530 1.00 0.00 C ATOM 1178 C LEU A 81 -1.355 6.011 -8.804 1.00 0.00 C ATOM 1179 O LEU A 81 -0.452 5.448 -9.421 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.188 6.221 -10.581 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.622 5.889 -10.168 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -5.386 7.154 -9.771 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.343 5.107 -11.267 1.00 0.00 C ATOM 0 H LEU A 81 -0.779 7.757 -10.669 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.036 7.306 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.223 6.844 -11.475 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.687 5.294 -10.858 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.583 5.247 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.403 6.889 -9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.883 7.634 -8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.417 7.841 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.361 4.884 -10.947 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.372 5.703 -12.179 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.811 4.175 -11.460 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.567 5.883 -7.501 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.712 5.037 -6.684 1.00 0.00 C ATOM 1196 C ILE A 82 -1.542 3.886 -6.110 1.00 0.00 C ATOM 1197 O ILE A 82 -2.603 4.111 -5.530 1.00 0.00 O ATOM 1198 CB ILE A 82 0.005 5.869 -5.620 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.488 7.201 -6.199 1.00 0.00 C ATOM 1200 CG2 ILE A 82 1.144 5.076 -4.979 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.656 8.215 -6.270 1.00 0.00 C ATOM 0 H ILE A 82 -2.317 6.350 -6.992 1.00 0.00 H new ATOM 0 HA ILE A 82 0.076 4.591 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.709 6.101 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.294 7.599 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.899 7.041 -7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.637 5.691 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.743 4.179 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.866 4.792 -5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.286 9.153 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.449 7.824 -6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.049 8.391 -5.269 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.026 2.679 -6.292 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.707 1.494 -5.801 1.00 0.00 C ATOM 1214 C VAL A 83 -0.703 0.602 -5.066 1.00 0.00 C ATOM 1215 O VAL A 83 0.450 0.489 -5.481 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.409 0.776 -6.955 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.396 0.267 -7.983 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.288 -0.365 -6.439 1.00 0.00 C ATOM 0 H VAL A 83 -0.145 2.497 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.483 1.769 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.057 1.498 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.922 -0.239 -8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.833 1.109 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.710 -0.431 -7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.775 -0.858 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.671 -1.086 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.045 0.035 -5.765 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.177 -0.007 -3.990 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.335 -0.884 -3.194 1.00 0.00 C ATOM 1230 C LEU A 84 -0.979 -2.270 -3.118 1.00 0.00 C ATOM 1231 O LEU A 84 -2.135 -2.400 -2.719 1.00 0.00 O ATOM 1232 CB LEU A 84 -0.054 -0.260 -1.826 1.00 0.00 C ATOM 1233 CG LEU A 84 1.377 -0.399 -1.306 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.743 -1.869 -1.090 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.369 0.306 -2.235 1.00 0.00 C ATOM 0 H LEU A 84 -2.134 0.089 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 84 0.639 -1.010 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.300 0.801 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.729 -0.710 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 84 1.436 0.094 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.766 -1.939 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.063 -2.310 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.661 -2.407 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.379 0.192 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.314 -0.137 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.121 1.366 -2.296 1.00 0.00 H new ATOM 1246 N MET A 85 -0.202 -3.271 -3.507 1.00 0.00 N ATOM 1247 CA MET A 85 -0.681 -4.642 -3.487 1.00 0.00 C ATOM 1248 C MET A 85 0.136 -5.495 -2.515 1.00 0.00 C ATOM 1249 O MET A 85 1.332 -5.699 -2.717 1.00 0.00 O ATOM 1250 CB MET A 85 -0.585 -5.236 -4.893 1.00 0.00 C ATOM 1251 CG MET A 85 -1.784 -4.819 -5.748 1.00 0.00 C ATOM 1252 SD MET A 85 -1.235 -3.825 -7.125 1.00 0.00 S ATOM 1253 CE MET A 85 -0.477 -2.469 -6.247 1.00 0.00 C ATOM 0 H MET A 85 0.756 -3.159 -3.838 1.00 0.00 H new ATOM 0 HA MET A 85 -1.719 -4.640 -3.154 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.338 -4.905 -5.369 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.539 -6.323 -4.830 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.306 -5.703 -6.113 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.495 -4.256 -5.143 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.063 -1.758 -6.962 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.226 -1.970 -5.632 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.322 -2.849 -5.610 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.541 -5.969 -1.480 1.00 0.00 N ATOM 1262 CA LEU A 86 0.106 -6.796 -0.477 1.00 0.00 C ATOM 1263 C LEU A 86 -0.720 -8.066 -0.257 1.00 0.00 C ATOM 1264 O LEU A 86 -1.949 -8.024 -0.294 1.00 0.00 O ATOM 1265 CB LEU A 86 0.353 -5.994 0.802 1.00 0.00 C ATOM 1266 CG LEU A 86 0.889 -4.573 0.610 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.627 -3.716 1.849 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.370 -4.593 0.230 1.00 0.00 C ATOM 0 H LEU A 86 -1.532 -5.796 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 86 1.090 -7.112 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.583 -5.936 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.058 -6.546 1.423 1.00 0.00 H new ATOM 0 HG LEU A 86 0.350 -4.114 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.018 -2.712 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.446 -3.662 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.122 -4.162 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.726 -3.571 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.942 -5.078 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.499 -5.144 -0.702 1.00 0.00 H new ATOM 1279 N ASP A 87 -0.012 -9.163 -0.033 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.664 -10.441 0.196 1.00 0.00 C ATOM 1281 C ASP A 87 -1.126 -10.520 1.651 1.00 0.00 C ATOM 1282 O ASP A 87 -0.636 -9.781 2.503 1.00 0.00 O ATOM 1283 CB ASP A 87 0.297 -11.603 -0.060 1.00 0.00 C ATOM 1284 CG ASP A 87 1.422 -11.305 -1.054 1.00 0.00 C ATOM 1285 OD1 ASP A 87 1.130 -10.603 -2.046 1.00 0.00 O ATOM 1286 OD2 ASP A 87 2.546 -11.790 -0.799 1.00 0.00 O ATOM 0 H ASP A 87 1.007 -9.193 -0.005 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.509 -10.515 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.741 -11.903 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.276 -12.454 -0.427 1.00 0.00 H new ATOM 1290 N LYS A 88 -2.064 -11.425 1.893 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.597 -11.610 3.231 1.00 0.00 C ATOM 1292 C LYS A 88 -1.478 -12.086 4.160 1.00 0.00 C ATOM 1293 O LYS A 88 -1.452 -11.731 5.339 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.809 -12.544 3.201 1.00 0.00 C ATOM 1295 CG LYS A 88 -4.395 -12.730 4.602 1.00 0.00 C ATOM 1296 CD LYS A 88 -5.012 -11.428 5.115 1.00 0.00 C ATOM 1297 CE LYS A 88 -6.061 -11.706 6.194 1.00 0.00 C ATOM 1298 NZ LYS A 88 -5.954 -10.717 7.290 1.00 0.00 N ATOM 0 H LYS A 88 -2.468 -12.038 1.184 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.962 -10.663 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.570 -12.136 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.516 -13.512 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.153 -13.513 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.613 -13.061 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.230 -10.786 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.471 -10.888 4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.059 -11.667 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.926 -12.712 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.754 -10.835 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.062 -10.864 7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.970 -9.756 6.893 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.582 -12.881 3.595 1.00 0.00 N ATOM 1309 CA GLU A 89 0.538 -13.408 4.358 1.00 0.00 C ATOM 1310 C GLU A 89 1.451 -12.270 4.814 1.00 0.00 C ATOM 1311 O GLU A 89 2.323 -12.469 5.660 1.00 0.00 O ATOM 1312 CB GLU A 89 1.316 -14.443 3.544 1.00 0.00 C ATOM 1313 CG GLU A 89 1.867 -13.827 2.257 1.00 0.00 C ATOM 1314 CD GLU A 89 1.058 -14.283 1.040 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -0.185 -14.321 1.167 1.00 0.00 O ATOM 1316 OE2 GLU A 89 1.702 -14.582 0.011 1.00 0.00 O ATOM 0 H GLU A 89 -0.608 -13.173 2.618 1.00 0.00 H new ATOM 0 HA GLU A 89 0.146 -13.910 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.137 -14.839 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.665 -15.283 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.840 -12.740 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.912 -14.112 2.131 1.00 0.00 H new ATOM 1321 N ILE A 90 1.220 -11.100 4.236 1.00 0.00 N ATOM 1322 CA ILE A 90 2.015 -9.931 4.573 1.00 0.00 C ATOM 1323 C ILE A 90 1.080 -8.778 4.950 1.00 0.00 C ATOM 1324 O ILE A 90 1.413 -7.612 4.743 1.00 0.00 O ATOM 1325 CB ILE A 90 2.979 -9.592 3.435 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.236 -8.970 2.250 1.00 0.00 C ATOM 1327 CG2 ILE A 90 3.791 -10.821 3.020 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.216 -8.399 1.227 1.00 0.00 C ATOM 0 H ILE A 90 0.495 -10.937 3.538 1.00 0.00 H new ATOM 0 HA ILE A 90 2.642 -10.133 5.441 1.00 0.00 H new ATOM 0 HB ILE A 90 3.685 -8.846 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.607 -9.723 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.574 -8.180 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.469 -10.553 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.369 -11.180 3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.115 -11.607 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.662 -7.963 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.827 -7.629 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.860 -9.196 0.856 1.00 0.00 H new ATOM 1339 N GLU A 91 -0.071 -9.145 5.496 1.00 0.00 N ATOM 1340 CA GLU A 91 -1.054 -8.156 5.903 1.00 0.00 C ATOM 1341 C GLU A 91 -0.409 -7.107 6.810 1.00 0.00 C ATOM 1342 O GLU A 91 -0.890 -5.978 6.900 1.00 0.00 O ATOM 1343 CB GLU A 91 -2.245 -8.822 6.595 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.336 -7.797 6.916 1.00 0.00 C ATOM 1345 CD GLU A 91 -4.223 -8.281 8.064 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -3.646 -8.783 9.054 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -5.456 -8.139 7.927 1.00 0.00 O ATOM 0 H GLU A 91 -0.344 -10.113 5.666 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.427 -7.654 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.652 -9.603 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.913 -9.305 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.878 -6.845 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.946 -7.620 6.030 1.00 0.00 H new ATOM 1352 N GLU A 92 0.671 -7.517 7.460 1.00 0.00 N ATOM 1353 CA GLU A 92 1.387 -6.627 8.358 1.00 0.00 C ATOM 1354 C GLU A 92 1.790 -5.345 7.625 1.00 0.00 C ATOM 1355 O GLU A 92 1.566 -4.244 8.123 1.00 0.00 O ATOM 1356 CB GLU A 92 2.608 -7.322 8.961 1.00 0.00 C ATOM 1357 CG GLU A 92 3.276 -8.242 7.938 1.00 0.00 C ATOM 1358 CD GLU A 92 3.073 -9.713 8.310 1.00 0.00 C ATOM 1359 OE1 GLU A 92 1.895 -10.122 8.393 1.00 0.00 O ATOM 1360 OE2 GLU A 92 4.103 -10.395 8.503 1.00 0.00 O ATOM 0 H GLU A 92 1.067 -8.454 7.382 1.00 0.00 H new ATOM 0 HA GLU A 92 0.722 -6.359 9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.323 -6.575 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.307 -7.901 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.861 -8.053 6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.342 -8.020 7.885 1.00 0.00 H new ATOM 1365 N VAL A 93 2.382 -5.534 6.454 1.00 0.00 N ATOM 1366 CA VAL A 93 2.818 -4.407 5.647 1.00 0.00 C ATOM 1367 C VAL A 93 1.609 -3.543 5.287 1.00 0.00 C ATOM 1368 O VAL A 93 1.722 -2.322 5.183 1.00 0.00 O ATOM 1369 CB VAL A 93 3.582 -4.909 4.419 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.688 -5.779 3.535 1.00 0.00 C ATOM 1371 CG2 VAL A 93 4.168 -3.739 3.624 1.00 0.00 C ATOM 0 H VAL A 93 2.570 -6.450 6.046 1.00 0.00 H new ATOM 0 HA VAL A 93 3.508 -3.779 6.210 1.00 0.00 H new ATOM 0 HB VAL A 93 4.410 -5.527 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.255 -6.122 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.340 -6.640 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.831 -5.196 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.706 -4.122 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.362 -3.085 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.854 -3.176 4.257 1.00 0.00 H new ATOM 1381 N VAL A 94 0.478 -4.209 5.108 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.752 -3.517 4.761 1.00 0.00 C ATOM 1383 C VAL A 94 -1.018 -2.415 5.788 1.00 0.00 C ATOM 1384 O VAL A 94 -1.274 -1.270 5.421 1.00 0.00 O ATOM 1385 CB VAL A 94 -1.901 -4.519 4.648 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -2.957 -4.268 5.727 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.527 -4.482 3.252 1.00 0.00 C ATOM 0 H VAL A 94 0.387 -5.221 5.197 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.660 -3.038 3.786 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.490 -5.516 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.763 -4.995 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.502 -4.369 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.360 -3.261 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.342 -5.204 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.915 -3.483 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.771 -4.732 2.508 1.00 0.00 H new ATOM 1397 N GLU A 95 -0.947 -2.799 7.053 1.00 0.00 N ATOM 1398 CA GLU A 95 -1.178 -1.858 8.136 1.00 0.00 C ATOM 1399 C GLU A 95 -0.021 -0.862 8.229 1.00 0.00 C ATOM 1400 O GLU A 95 -0.225 0.305 8.557 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.380 -2.588 9.465 1.00 0.00 C ATOM 1402 CG GLU A 95 -2.175 -3.881 9.264 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.842 -4.322 10.569 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -3.667 -3.534 11.079 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -2.513 -5.438 11.024 1.00 0.00 O ATOM 0 H GLU A 95 -0.733 -3.750 7.353 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.092 -1.305 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.411 -2.817 9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.906 -1.938 10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.934 -3.730 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.512 -4.668 8.906 1.00 0.00 H new ATOM 1410 N LYS A 96 1.171 -1.359 7.931 1.00 0.00 N ATOM 1411 CA LYS A 96 2.362 -0.529 7.977 1.00 0.00 C ATOM 1412 C LYS A 96 2.322 0.475 6.823 1.00 0.00 C ATOM 1413 O LYS A 96 2.866 1.574 6.932 1.00 0.00 O ATOM 1414 CB LYS A 96 3.622 -1.398 7.992 1.00 0.00 C ATOM 1415 CG LYS A 96 3.493 -2.530 9.013 1.00 0.00 C ATOM 1416 CD LYS A 96 4.574 -2.424 10.089 1.00 0.00 C ATOM 1417 CE LYS A 96 3.964 -2.064 11.446 1.00 0.00 C ATOM 1418 NZ LYS A 96 4.116 -3.188 12.396 1.00 0.00 N ATOM 0 H LYS A 96 1.337 -2.327 7.657 1.00 0.00 H new ATOM 0 HA LYS A 96 2.389 0.047 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.792 -1.816 7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.490 -0.783 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.508 -2.495 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.572 -3.492 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.109 -3.370 10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.304 -1.667 9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.450 -1.174 11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.908 -1.823 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.697 -2.928 13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.632 -4.028 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.126 -3.399 12.525 1.00 0.00 H new ATOM 1428 N VAL A 97 1.672 0.064 5.744 1.00 0.00 N ATOM 1429 CA VAL A 97 1.554 0.914 4.572 1.00 0.00 C ATOM 1430 C VAL A 97 0.524 2.012 4.845 1.00 0.00 C ATOM 1431 O VAL A 97 0.753 3.177 4.523 1.00 0.00 O ATOM 1432 CB VAL A 97 1.213 0.066 3.344 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.367 0.861 2.347 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.481 -0.471 2.680 1.00 0.00 C ATOM 0 H VAL A 97 1.221 -0.847 5.657 1.00 0.00 H new ATOM 0 HA VAL A 97 2.503 1.405 4.359 1.00 0.00 H new ATOM 0 HB VAL A 97 0.623 -0.787 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.139 0.236 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.562 1.173 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.921 1.741 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.211 -1.070 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.108 0.363 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.030 -1.090 3.390 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.588 1.602 5.436 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.655 2.537 5.755 1.00 0.00 C ATOM 1446 C LYS A 98 -1.121 3.605 6.711 1.00 0.00 C ATOM 1447 O LYS A 98 -1.351 4.796 6.508 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.879 1.791 6.289 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.812 1.380 5.147 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.265 1.317 5.623 1.00 0.00 C ATOM 1451 CE LYS A 98 -5.890 2.712 5.663 1.00 0.00 C ATOM 1452 NZ LYS A 98 -6.998 2.755 6.643 1.00 0.00 N ATOM 0 H LYS A 98 -0.774 0.635 5.703 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.992 3.052 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.559 0.906 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.418 2.425 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.725 2.092 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.510 0.408 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.842 0.675 4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.307 0.867 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.132 3.449 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.261 2.979 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.908 2.738 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.936 1.930 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.930 3.627 7.206 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.417 3.141 7.734 1.00 0.00 N ATOM 1463 CA LYS A 99 0.151 4.042 8.723 1.00 0.00 C ATOM 1464 C LYS A 99 1.264 4.867 8.073 1.00 0.00 C ATOM 1465 O LYS A 99 1.453 6.035 8.410 1.00 0.00 O ATOM 1466 CB LYS A 99 0.605 3.264 9.959 1.00 0.00 C ATOM 1467 CG LYS A 99 1.660 2.218 9.592 1.00 0.00 C ATOM 1468 CD LYS A 99 3.070 2.802 9.698 1.00 0.00 C ATOM 1469 CE LYS A 99 3.777 2.305 10.961 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.751 3.346 12.011 1.00 0.00 N ATOM 0 H LYS A 99 -0.227 2.153 7.899 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.604 4.744 9.077 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.013 3.954 10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.253 2.774 10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.569 1.356 10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.486 1.861 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.650 2.522 8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.016 3.891 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.291 1.400 11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.808 2.041 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.235 2.993 12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.235 4.199 11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.765 3.578 12.245 1.00 0.00 H new ATOM 1480 N PHE A 100 1.971 4.228 7.152 1.00 0.00 N ATOM 1481 CA PHE A 100 3.061 4.889 6.454 1.00 0.00 C ATOM 1482 C PHE A 100 2.543 6.055 5.609 1.00 0.00 C ATOM 1483 O PHE A 100 3.029 7.178 5.732 1.00 0.00 O ATOM 1484 CB PHE A 100 3.694 3.848 5.529 1.00 0.00 C ATOM 1485 CG PHE A 100 4.102 4.396 4.161 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.724 5.601 4.068 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.841 3.678 3.035 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.101 6.110 2.797 1.00 0.00 C ATOM 1489 CE2 PHE A 100 4.218 4.186 1.765 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.840 5.392 1.672 1.00 0.00 C ATOM 0 H PHE A 100 1.810 3.260 6.873 1.00 0.00 H new ATOM 0 HA PHE A 100 3.778 5.286 7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.574 3.430 6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.989 3.029 5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.932 6.172 4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 100 3.346 2.721 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.595 7.068 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 100 4.011 3.615 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.126 5.779 0.705 1.00 0.00 H new ATOM 1499 N VAL A 101 1.564 5.748 4.770 1.00 0.00 N ATOM 1500 CA VAL A 101 0.975 6.757 3.905 1.00 0.00 C ATOM 1501 C VAL A 101 0.414 7.892 4.764 1.00 0.00 C ATOM 1502 O VAL A 101 0.725 9.060 4.536 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.076 6.117 2.997 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -0.752 7.169 2.115 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.538 5.002 2.148 1.00 0.00 C ATOM 0 H VAL A 101 1.164 4.815 4.671 1.00 0.00 H new ATOM 0 HA VAL A 101 1.731 7.189 3.249 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.841 5.671 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.495 6.688 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.240 7.912 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.003 7.657 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.231 4.564 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.333 5.414 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.950 4.233 2.801 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.405 7.509 5.732 1.00 0.00 N ATOM 1516 CA GLU A 102 -1.014 8.481 6.625 1.00 0.00 C ATOM 1517 C GLU A 102 0.057 9.160 7.481 1.00 0.00 C ATOM 1518 O GLU A 102 -0.144 10.271 7.966 1.00 0.00 O ATOM 1519 CB GLU A 102 -2.083 7.826 7.503 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.460 7.208 8.756 1.00 0.00 C ATOM 1521 CD GLU A 102 -2.469 6.325 9.492 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -2.949 5.361 8.857 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -2.739 6.635 10.672 1.00 0.00 O ATOM 0 H GLU A 102 -0.661 6.539 5.918 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.505 9.243 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.827 8.569 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.604 7.056 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.588 6.616 8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.111 7.998 9.420 1.00 0.00 H new ATOM 1528 N GLU A 103 1.173 8.463 7.639 1.00 0.00 N ATOM 1529 CA GLU A 103 2.276 8.985 8.428 1.00 0.00 C ATOM 1530 C GLU A 103 2.943 10.154 7.698 1.00 0.00 C ATOM 1531 O GLU A 103 3.319 11.145 8.320 1.00 0.00 O ATOM 1532 CB GLU A 103 3.292 7.885 8.745 1.00 0.00 C ATOM 1533 CG GLU A 103 2.990 7.235 10.096 1.00 0.00 C ATOM 1534 CD GLU A 103 3.710 7.967 11.230 1.00 0.00 C ATOM 1535 OE1 GLU A 103 4.830 8.456 10.970 1.00 0.00 O ATOM 1536 OE2 GLU A 103 3.124 8.020 12.334 1.00 0.00 O ATOM 0 H GLU A 103 1.337 7.541 7.234 1.00 0.00 H new ATOM 0 HA GLU A 103 1.879 9.351 9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.271 7.129 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.298 8.306 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.915 7.246 10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.300 6.190 10.078 1.00 0.00 H new ATOM 1541 N ASN A 104 3.071 9.997 6.389 1.00 0.00 N ATOM 1542 CA ASN A 104 3.685 11.026 5.567 1.00 0.00 C ATOM 1543 C ASN A 104 2.687 12.168 5.360 1.00 0.00 C ATOM 1544 O ASN A 104 3.079 13.333 5.289 1.00 0.00 O ATOM 1545 CB ASN A 104 4.069 10.478 4.192 1.00 0.00 C ATOM 1546 CG ASN A 104 5.474 10.933 3.794 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.666 11.707 2.872 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.444 10.409 4.539 1.00 0.00 N ATOM 0 H ASN A 104 2.760 9.172 5.877 1.00 0.00 H new ATOM 0 HA ASN A 104 4.582 11.375 6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.026 9.389 4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.349 10.817 3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.417 10.650 4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.214 9.766 5.297 1.00 0.00 H new ATOM 1554 N ASN A 105 1.420 11.795 5.268 1.00 0.00 N ATOM 1555 CA ASN A 105 0.364 12.773 5.068 1.00 0.00 C ATOM 1556 C ASN A 105 0.657 14.013 5.917 1.00 0.00 C ATOM 1557 O ASN A 105 1.090 15.039 5.393 1.00 0.00 O ATOM 1558 CB ASN A 105 -0.993 12.216 5.501 1.00 0.00 C ATOM 1559 CG ASN A 105 -1.748 11.626 4.308 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -2.680 12.211 3.781 1.00 0.00 O ATOM 1561 ND2 ASN A 105 -1.297 10.440 3.914 1.00 0.00 N ATOM 0 H ASN A 105 1.100 10.828 5.328 1.00 0.00 H new ATOM 0 HA ASN A 105 0.330 13.020 4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.849 11.448 6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.587 13.008 5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.736 9.964 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.512 10.006 4.400 1.00 0.00 H new TER 1567 ASN A 105