USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1001 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 121 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Set 1.2: A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 118 LYS NZ :NH3+ 176:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 119 ASN : amide:sc= 1.07 K(o=2.3,f=-7.6!) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.00684 X(o=-3,f=-2.5) USER MOD Set 3.2: A 106 GLN : amide:sc= -2.96! C(o=-3!,f=-2.5!) USER MOD Set 4.1: A 37 LYS NZ :NH3+ 178:sc= 0.499 (180deg=0.571) USER MOD Set 4.2: A 80 LYS NZ :NH3+ -144:sc= 0.0564 (180deg=0.0015) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0518 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 41:sc= 0.00811 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00564) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 1.15 K(o=1.2,f=-0.79) USER MOD Single : A 27 GLN : amide:sc= -7.29! C(o=-7.3!,f=-15!) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= -0.098 (180deg=-0.597) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 158:sc= -0.15 USER MOD Single : A 38 SER OG : rot -120:sc= 0.835 USER MOD Single : A 42 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.6) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 144:sc= 0.0667 USER MOD Single : A 70 TYR OH : rot -37:sc= 0.257 USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= 1.09 (180deg=0.102) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 87 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.76) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 173:sc= 1.15 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.427 USER MOD Single : A 100 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.33) USER MOD Single : A 101 SER OG : rot 42:sc= 0.582 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 111 MET CE :methyl -135:sc= -0.521 (180deg=-1.18) USER MOD Single : A 112 THR OG1 : rot -150:sc= -0.0227 USER MOD Single : A 113 HIS : no HD1:sc= -7.25! C(o=-7.3!,f=-20!) USER MOD Single : A 114 SER OG : rot -150:sc= -0.726 USER MOD Single : A 115 LYS NZ :NH3+ -144:sc= -0.476 (180deg=-2.1!) USER MOD Single : A 120 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.74) USER MOD Single : A 128 LYS NZ :NH3+ -136:sc= 1.24 (180deg=0.992) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.817 12.271 2.961 1.00 0.00 N ATOM 2 CA ALA A 1 -15.078 12.321 1.690 1.00 0.00 C ATOM 3 C ALA A 1 -14.196 11.078 1.627 1.00 0.00 C ATOM 4 O ALA A 1 -13.534 10.824 2.621 1.00 0.00 O ATOM 5 CB ALA A 1 -14.266 13.620 1.583 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.790 13.206 3.415 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.805 12.003 2.778 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.379 11.568 3.590 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.760 12.324 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.728 13.636 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.940 14.475 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.553 13.672 2.406 1.00 0.00 H new ATOM 13 N PRO A 2 -14.274 10.267 0.559 1.00 0.00 N ATOM 14 CA PRO A 2 -13.424 9.081 0.368 1.00 0.00 C ATOM 15 C PRO A 2 -11.954 9.431 0.061 1.00 0.00 C ATOM 16 O PRO A 2 -11.053 8.625 0.288 1.00 0.00 O ATOM 17 CB PRO A 2 -14.085 8.322 -0.793 1.00 0.00 C ATOM 18 CG PRO A 2 -14.804 9.401 -1.597 1.00 0.00 C ATOM 19 CD PRO A 2 -15.221 10.412 -0.537 1.00 0.00 C ATOM 0 HA PRO A 2 -13.364 8.486 1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.344 7.803 -1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.783 7.568 -0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.149 9.849 -2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.666 8.998 -2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.201 11.426 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.240 10.223 -0.199 1.00 0.00 H new ATOM 27 N ILE A 3 -11.718 10.659 -0.407 1.00 0.00 N ATOM 28 CA ILE A 3 -10.384 11.180 -0.666 1.00 0.00 C ATOM 29 C ILE A 3 -9.644 11.390 0.650 1.00 0.00 C ATOM 30 O ILE A 3 -10.189 11.966 1.595 1.00 0.00 O ATOM 31 CB ILE A 3 -10.452 12.481 -1.493 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.055 12.887 -2.013 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.062 13.654 -0.698 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.613 12.057 -3.220 1.00 0.00 C ATOM 0 H ILE A 3 -12.462 11.324 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.828 10.452 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.106 12.268 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.066 13.942 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.325 12.773 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.087 14.545 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.076 13.398 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.455 13.849 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.625 12.384 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.574 11.004 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.325 12.191 -4.034 1.00 0.00 H new ATOM 46 N VAL A 4 -8.394 10.956 0.657 1.00 0.00 N ATOM 47 CA VAL A 4 -7.481 11.056 1.787 1.00 0.00 C ATOM 48 C VAL A 4 -6.104 11.575 1.360 1.00 0.00 C ATOM 49 O VAL A 4 -5.859 11.822 0.171 1.00 0.00 O ATOM 50 CB VAL A 4 -7.414 9.697 2.501 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.677 9.488 3.348 1.00 0.00 C ATOM 52 CG2 VAL A 4 -7.144 8.450 1.643 1.00 0.00 C ATOM 0 H VAL A 4 -7.970 10.507 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.859 11.793 2.495 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.516 9.779 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.622 8.523 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.751 10.281 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.556 9.512 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.124 7.567 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.933 8.343 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.183 8.556 1.140 1.00 0.00 H new ATOM 62 N THR A 5 -5.178 11.745 2.306 1.00 0.00 N ATOM 63 CA THR A 5 -3.781 12.070 2.016 1.00 0.00 C ATOM 64 C THR A 5 -2.802 11.489 3.024 1.00 0.00 C ATOM 65 O THR A 5 -2.796 11.861 4.190 1.00 0.00 O ATOM 66 CB THR A 5 -3.510 13.575 1.872 1.00 0.00 C ATOM 67 OG1 THR A 5 -3.992 14.378 2.922 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.088 14.121 0.570 1.00 0.00 C ATOM 0 H THR A 5 -5.379 11.660 3.302 1.00 0.00 H new ATOM 0 HA THR A 5 -3.612 11.597 1.049 1.00 0.00 H new ATOM 0 HB THR A 5 -2.422 13.637 1.888 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.825 13.931 3.778 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.879 15.188 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.632 13.605 -0.275 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.166 13.960 0.555 1.00 0.00 H new ATOM 76 N CYS A 6 -1.875 10.647 2.559 1.00 0.00 N ATOM 77 CA CYS A 6 -0.871 10.097 3.466 1.00 0.00 C ATOM 78 C CYS A 6 -0.025 11.220 4.075 1.00 0.00 C ATOM 79 O CYS A 6 0.073 12.301 3.495 1.00 0.00 O ATOM 80 CB CYS A 6 0.037 9.096 2.753 1.00 0.00 C ATOM 81 SG CYS A 6 -0.703 7.717 1.851 1.00 0.00 S ATOM 0 H CYS A 6 -1.800 10.340 1.589 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.400 9.573 4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.652 9.656 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.711 8.675 3.500 1.00 0.00 H new ATOM 86 N ARG A 7 0.725 10.901 5.134 1.00 0.00 N ATOM 87 CA ARG A 7 1.661 11.800 5.830 1.00 0.00 C ATOM 88 C ARG A 7 3.152 11.431 5.646 1.00 0.00 C ATOM 89 O ARG A 7 3.892 11.415 6.607 1.00 0.00 O ATOM 90 CB ARG A 7 1.199 11.900 7.297 1.00 0.00 C ATOM 91 CG ARG A 7 1.143 10.560 8.062 1.00 0.00 C ATOM 92 CD ARG A 7 2.475 10.220 8.726 1.00 0.00 C ATOM 93 NE ARG A 7 2.309 9.398 9.923 1.00 0.00 N ATOM 94 CZ ARG A 7 3.167 9.417 10.919 1.00 0.00 C ATOM 95 NH1 ARG A 7 4.191 10.217 10.954 1.00 0.00 N ATOM 96 NH2 ARG A 7 2.973 8.623 11.934 1.00 0.00 N ATOM 0 H ARG A 7 0.698 9.970 5.550 1.00 0.00 H new ATOM 0 HA ARG A 7 1.625 12.790 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.871 12.575 7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.208 12.354 7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.362 10.609 8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.868 9.761 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.109 9.694 8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.991 11.143 8.991 1.00 0.00 H new ATOM 0 HE ARG A 7 1.496 8.786 9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.356 10.868 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.829 10.194 11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.166 8.000 11.947 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.629 8.625 12.715 1.00 0.00 H new ATOM 110 N PRO A 8 3.634 11.080 4.443 1.00 0.00 N ATOM 111 CA PRO A 8 5.029 10.725 4.220 1.00 0.00 C ATOM 112 C PRO A 8 5.964 11.933 4.362 1.00 0.00 C ATOM 113 O PRO A 8 5.553 13.097 4.281 1.00 0.00 O ATOM 114 CB PRO A 8 5.068 10.204 2.786 1.00 0.00 C ATOM 115 CG PRO A 8 3.964 10.980 2.102 1.00 0.00 C ATOM 116 CD PRO A 8 2.922 11.054 3.195 1.00 0.00 C ATOM 0 HA PRO A 8 5.370 9.995 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.036 10.385 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.890 9.129 2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.295 11.969 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.592 10.467 1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.306 11.946 3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.252 10.196 3.150 1.00 0.00 H new ATOM 124 N LYS A 9 7.269 11.650 4.382 1.00 0.00 N ATOM 125 CA LYS A 9 8.334 12.641 4.510 1.00 0.00 C ATOM 126 C LYS A 9 9.040 12.874 3.172 1.00 0.00 C ATOM 127 O LYS A 9 9.792 12.037 2.670 1.00 0.00 O ATOM 128 CB LYS A 9 9.296 12.185 5.606 1.00 0.00 C ATOM 129 CG LYS A 9 10.299 13.299 5.937 1.00 0.00 C ATOM 130 CD LYS A 9 11.575 12.706 6.545 1.00 0.00 C ATOM 131 CE LYS A 9 11.336 12.272 7.994 1.00 0.00 C ATOM 132 NZ LYS A 9 11.414 13.427 8.924 1.00 0.00 N ATOM 0 H LYS A 9 7.621 10.696 4.307 1.00 0.00 H new ATOM 0 HA LYS A 9 7.912 13.604 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.736 11.914 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.829 11.292 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.544 13.856 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.850 14.005 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.902 11.851 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.377 13.443 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.357 11.801 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.075 11.523 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.248 13.101 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.357 13.861 8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.692 14.130 8.666 1.00 0.00 H new ATOM 146 N LEU A 10 8.820 14.053 2.600 1.00 0.00 N ATOM 147 CA LEU A 10 9.530 14.424 1.377 1.00 0.00 C ATOM 148 C LEU A 10 10.978 14.811 1.734 1.00 0.00 C ATOM 149 O LEU A 10 11.891 13.992 1.650 1.00 0.00 O ATOM 150 CB LEU A 10 8.722 15.505 0.629 1.00 0.00 C ATOM 151 CG LEU A 10 9.138 15.757 -0.837 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.613 15.550 -1.141 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.315 14.882 -1.786 1.00 0.00 C ATOM 0 H LEU A 10 8.171 14.756 2.952 1.00 0.00 H new ATOM 0 HA LEU A 10 9.613 13.590 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.669 15.222 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.809 16.442 1.178 1.00 0.00 H new ATOM 0 HG LEU A 10 8.939 16.817 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.799 15.752 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.209 16.229 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.890 14.520 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.621 15.073 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.480 13.831 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.257 15.118 -1.673 1.00 0.00 H new ATOM 165 N ASP A 11 11.153 16.053 2.189 1.00 0.00 N ATOM 166 CA ASP A 11 12.449 16.707 2.433 1.00 0.00 C ATOM 167 C ASP A 11 12.597 17.122 3.904 1.00 0.00 C ATOM 168 O ASP A 11 12.966 18.235 4.265 1.00 0.00 O ATOM 169 CB ASP A 11 12.641 17.897 1.474 1.00 0.00 C ATOM 170 CG ASP A 11 14.123 18.154 1.180 1.00 0.00 C ATOM 171 OD1 ASP A 11 14.888 17.163 1.150 1.00 0.00 O ATOM 172 OD2 ASP A 11 14.453 19.336 0.953 1.00 0.00 O ATOM 0 H ASP A 11 10.364 16.661 2.408 1.00 0.00 H new ATOM 0 HA ASP A 11 13.242 15.987 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.113 17.701 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.196 18.791 1.910 1.00 0.00 H new ATOM 177 N GLY A 12 12.143 16.240 4.792 1.00 0.00 N ATOM 178 CA GLY A 12 12.129 16.483 6.233 1.00 0.00 C ATOM 179 C GLY A 12 10.770 16.916 6.770 1.00 0.00 C ATOM 180 O GLY A 12 10.477 16.610 7.927 1.00 0.00 O ATOM 0 H GLY A 12 11.771 15.328 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.440 15.574 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.865 17.252 6.470 1.00 0.00 H new ATOM 184 N ARG A 13 9.928 17.542 5.934 1.00 0.00 N ATOM 185 CA ARG A 13 8.561 17.958 6.279 1.00 0.00 C ATOM 186 C ARG A 13 7.527 16.907 5.868 1.00 0.00 C ATOM 187 O ARG A 13 7.727 16.183 4.889 1.00 0.00 O ATOM 188 CB ARG A 13 8.254 19.340 5.669 1.00 0.00 C ATOM 189 CG ARG A 13 8.087 19.324 4.138 1.00 0.00 C ATOM 190 CD ARG A 13 7.568 20.665 3.618 1.00 0.00 C ATOM 191 NE ARG A 13 6.125 20.836 3.883 1.00 0.00 N ATOM 192 CZ ARG A 13 5.375 21.823 3.429 1.00 0.00 C ATOM 193 NH1 ARG A 13 5.879 22.771 2.685 1.00 0.00 N ATOM 194 NH2 ARG A 13 4.105 21.879 3.711 1.00 0.00 N ATOM 0 H ARG A 13 10.186 17.779 4.976 1.00 0.00 H new ATOM 0 HA ARG A 13 8.494 18.046 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.342 19.731 6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.058 20.028 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.044 19.096 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.396 18.530 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.123 21.477 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.751 20.734 2.546 1.00 0.00 H new ATOM 0 HE ARG A 13 5.670 20.133 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.870 22.758 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.281 23.524 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.679 21.155 4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.537 22.647 3.354 1.00 0.00 H new ATOM 208 N GLU A 14 6.398 16.912 6.568 1.00 0.00 N ATOM 209 CA GLU A 14 5.239 16.067 6.275 1.00 0.00 C ATOM 210 C GLU A 14 4.555 16.597 5.010 1.00 0.00 C ATOM 211 O GLU A 14 4.078 17.743 4.976 1.00 0.00 O ATOM 212 CB GLU A 14 4.265 16.047 7.464 1.00 0.00 C ATOM 213 CG GLU A 14 4.876 15.345 8.686 1.00 0.00 C ATOM 214 CD GLU A 14 4.823 13.819 8.618 1.00 0.00 C ATOM 215 OE1 GLU A 14 5.706 13.298 7.900 1.00 0.00 O ATOM 216 OE2 GLU A 14 3.995 13.219 9.345 1.00 0.00 O ATOM 0 H GLU A 14 6.257 17.518 7.376 1.00 0.00 H new ATOM 0 HA GLU A 14 5.564 15.040 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.993 17.069 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.346 15.538 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.915 15.658 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.352 15.677 9.582 1.00 0.00 H new ATOM 223 N LYS A 15 4.595 15.813 3.930 1.00 0.00 N ATOM 224 CA LYS A 15 3.945 16.142 2.657 1.00 0.00 C ATOM 225 C LYS A 15 2.674 15.296 2.489 1.00 0.00 C ATOM 226 O LYS A 15 2.783 14.081 2.525 1.00 0.00 O ATOM 227 CB LYS A 15 4.948 15.970 1.501 1.00 0.00 C ATOM 228 CG LYS A 15 4.289 16.085 0.111 1.00 0.00 C ATOM 229 CD LYS A 15 3.832 14.743 -0.487 1.00 0.00 C ATOM 230 CE LYS A 15 4.965 14.069 -1.254 1.00 0.00 C ATOM 231 NZ LYS A 15 4.444 13.036 -2.179 1.00 0.00 N ATOM 0 H LYS A 15 5.086 14.919 3.914 1.00 0.00 H new ATOM 0 HA LYS A 15 3.631 17.186 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.730 16.724 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.432 14.997 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.427 16.749 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.995 16.553 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.487 14.085 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.985 14.908 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.522 14.818 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.663 13.613 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.236 12.594 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.933 12.311 -1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.797 13.477 -2.863 1.00 0.00 H new ATOM 245 N PRO A 16 1.507 15.891 2.187 1.00 0.00 N ATOM 246 CA PRO A 16 0.272 15.151 1.927 1.00 0.00 C ATOM 247 C PRO A 16 0.341 14.347 0.622 1.00 0.00 C ATOM 248 O PRO A 16 0.429 14.915 -0.478 1.00 0.00 O ATOM 249 CB PRO A 16 -0.838 16.202 1.901 1.00 0.00 C ATOM 250 CG PRO A 16 -0.113 17.477 1.481 1.00 0.00 C ATOM 251 CD PRO A 16 1.272 17.321 2.097 1.00 0.00 C ATOM 0 HA PRO A 16 0.090 14.403 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.625 15.937 1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.310 16.312 2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.061 17.570 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.619 18.367 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.030 17.804 1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.317 17.787 3.081 1.00 0.00 H new ATOM 259 N PHE A 17 0.327 13.015 0.696 1.00 0.00 N ATOM 260 CA PHE A 17 0.329 12.177 -0.502 1.00 0.00 C ATOM 261 C PHE A 17 -1.097 11.939 -0.999 1.00 0.00 C ATOM 262 O PHE A 17 -1.838 11.209 -0.366 1.00 0.00 O ATOM 263 CB PHE A 17 1.049 10.843 -0.261 1.00 0.00 C ATOM 264 CG PHE A 17 1.943 10.365 -1.392 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.739 10.783 -2.723 1.00 0.00 C ATOM 266 CD2 PHE A 17 2.973 9.445 -1.116 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.600 10.353 -3.745 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.850 9.034 -2.131 1.00 0.00 C ATOM 269 CZ PHE A 17 3.665 9.487 -3.447 1.00 0.00 C ATOM 0 H PHE A 17 0.314 12.494 1.573 1.00 0.00 H new ATOM 0 HA PHE A 17 0.881 12.713 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.653 10.935 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.299 10.076 -0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.914 11.439 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.089 9.053 -0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.444 10.688 -4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.668 8.368 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.340 9.170 -4.228 1.00 0.00 H new ATOM 279 N LYS A 18 -1.481 12.538 -2.134 1.00 0.00 N ATOM 280 CA LYS A 18 -2.797 12.374 -2.774 1.00 0.00 C ATOM 281 C LYS A 18 -3.183 10.904 -2.863 1.00 0.00 C ATOM 282 O LYS A 18 -2.533 10.190 -3.611 1.00 0.00 O ATOM 283 CB LYS A 18 -2.773 12.964 -4.194 1.00 0.00 C ATOM 284 CG LYS A 18 -2.391 14.446 -4.249 1.00 0.00 C ATOM 285 CD LYS A 18 -3.568 15.335 -3.834 1.00 0.00 C ATOM 286 CE LYS A 18 -3.201 16.811 -4.019 1.00 0.00 C ATOM 287 NZ LYS A 18 -3.260 17.219 -5.448 1.00 0.00 N ATOM 0 H LYS A 18 -0.868 13.169 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.530 12.900 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.068 12.395 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.757 12.836 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.542 14.631 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.074 14.706 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.446 15.092 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.829 15.144 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.882 17.431 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.198 16.988 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.055 18.236 -5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.556 16.680 -5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.210 17.027 -5.825 1.00 0.00 H new ATOM 301 N VAL A 19 -4.210 10.457 -2.159 1.00 0.00 N ATOM 302 CA VAL A 19 -4.687 9.069 -2.200 1.00 0.00 C ATOM 303 C VAL A 19 -6.210 9.030 -2.081 1.00 0.00 C ATOM 304 O VAL A 19 -6.834 10.002 -1.675 1.00 0.00 O ATOM 305 CB VAL A 19 -4.023 8.220 -1.097 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.564 7.877 -1.421 1.00 0.00 C ATOM 307 CG2 VAL A 19 -4.094 8.876 0.275 1.00 0.00 C ATOM 0 H VAL A 19 -4.750 11.052 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.405 8.637 -3.160 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.601 7.296 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.143 7.279 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.521 7.311 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.989 8.797 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.611 8.233 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.585 9.839 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.137 9.026 0.553 1.00 0.00 H new ATOM 317 N ASP A 20 -6.827 7.915 -2.455 1.00 0.00 N ATOM 318 CA ASP A 20 -8.273 7.738 -2.312 1.00 0.00 C ATOM 319 C ASP A 20 -8.571 6.317 -1.835 1.00 0.00 C ATOM 320 O ASP A 20 -7.990 5.341 -2.330 1.00 0.00 O ATOM 321 CB ASP A 20 -8.975 8.051 -3.644 1.00 0.00 C ATOM 322 CG ASP A 20 -10.429 8.498 -3.436 1.00 0.00 C ATOM 323 OD1 ASP A 20 -11.151 7.758 -2.726 1.00 0.00 O ATOM 324 OD2 ASP A 20 -10.811 9.558 -3.980 1.00 0.00 O ATOM 0 H ASP A 20 -6.347 7.113 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.659 8.432 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.426 8.834 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.955 7.167 -4.281 1.00 0.00 H new ATOM 329 N VAL A 21 -9.470 6.207 -0.856 1.00 0.00 N ATOM 330 CA VAL A 21 -9.938 4.917 -0.337 1.00 0.00 C ATOM 331 C VAL A 21 -10.535 4.070 -1.454 1.00 0.00 C ATOM 332 O VAL A 21 -10.249 2.876 -1.527 1.00 0.00 O ATOM 333 CB VAL A 21 -10.954 5.088 0.806 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.288 5.687 0.366 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.298 3.748 1.456 1.00 0.00 C ATOM 0 H VAL A 21 -9.897 7.012 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.069 4.402 0.071 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.454 5.767 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.949 5.775 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.119 6.674 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.749 5.040 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.018 3.907 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.729 3.081 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.393 3.299 1.864 1.00 0.00 H new ATOM 345 N ALA A 22 -11.353 4.676 -2.327 1.00 0.00 N ATOM 346 CA ALA A 22 -12.055 3.977 -3.400 1.00 0.00 C ATOM 347 C ALA A 22 -11.071 3.195 -4.269 1.00 0.00 C ATOM 348 O ALA A 22 -11.267 2.008 -4.524 1.00 0.00 O ATOM 349 CB ALA A 22 -12.855 4.989 -4.229 1.00 0.00 C ATOM 0 H ALA A 22 -11.544 5.678 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.749 3.255 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.380 4.469 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.579 5.493 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.176 5.726 -4.658 1.00 0.00 H new ATOM 355 N THR A 23 -9.975 3.842 -4.664 1.00 0.00 N ATOM 356 CA THR A 23 -8.898 3.222 -5.432 1.00 0.00 C ATOM 357 C THR A 23 -8.150 2.174 -4.626 1.00 0.00 C ATOM 358 O THR A 23 -7.964 1.057 -5.102 1.00 0.00 O ATOM 359 CB THR A 23 -7.899 4.271 -5.895 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.563 5.283 -6.595 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.885 3.661 -6.845 1.00 0.00 C ATOM 0 H THR A 23 -9.809 4.827 -4.456 1.00 0.00 H new ATOM 0 HA THR A 23 -9.368 2.739 -6.289 1.00 0.00 H new ATOM 0 HB THR A 23 -7.400 4.667 -5.010 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.915 5.957 -6.889 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.179 4.427 -7.165 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.346 2.861 -6.337 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.400 3.256 -7.716 1.00 0.00 H new ATOM 369 N ALA A 24 -7.705 2.511 -3.417 1.00 0.00 N ATOM 370 CA ALA A 24 -6.997 1.586 -2.545 1.00 0.00 C ATOM 371 C ALA A 24 -7.775 0.287 -2.278 1.00 0.00 C ATOM 372 O ALA A 24 -7.204 -0.797 -2.326 1.00 0.00 O ATOM 373 CB ALA A 24 -6.704 2.319 -1.248 1.00 0.00 C ATOM 0 H ALA A 24 -7.828 3.441 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.077 1.271 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.172 1.655 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.089 3.194 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.641 2.635 -0.789 1.00 0.00 H new ATOM 379 N GLN A 25 -9.075 0.382 -2.015 1.00 0.00 N ATOM 380 CA GLN A 25 -9.963 -0.772 -1.852 1.00 0.00 C ATOM 381 C GLN A 25 -10.175 -1.527 -3.165 1.00 0.00 C ATOM 382 O GLN A 25 -10.096 -2.757 -3.186 1.00 0.00 O ATOM 383 CB GLN A 25 -11.329 -0.333 -1.306 1.00 0.00 C ATOM 384 CG GLN A 25 -11.238 0.007 0.181 1.00 0.00 C ATOM 385 CD GLN A 25 -12.591 0.155 0.875 1.00 0.00 C ATOM 386 OE1 GLN A 25 -13.638 -0.210 0.368 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.619 0.647 2.093 1.00 0.00 N ATOM 0 H GLN A 25 -9.552 1.277 -1.907 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.476 -1.441 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.685 0.535 -1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.058 -1.129 -1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.667 -0.772 0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.680 0.936 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.755 0.959 2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.504 0.717 2.594 1.00 0.00 H new ATOM 396 N ALA A 26 -10.439 -0.795 -4.252 1.00 0.00 N ATOM 397 CA ALA A 26 -10.645 -1.346 -5.588 1.00 0.00 C ATOM 398 C ALA A 26 -9.464 -2.220 -6.010 1.00 0.00 C ATOM 399 O ALA A 26 -9.643 -3.422 -6.231 1.00 0.00 O ATOM 400 CB ALA A 26 -10.891 -0.216 -6.599 1.00 0.00 C ATOM 0 H ALA A 26 -10.516 0.222 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.530 -1.982 -5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.043 -0.642 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.777 0.347 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.028 0.449 -6.618 1.00 0.00 H new ATOM 406 N GLN A 27 -8.266 -1.635 -6.089 1.00 0.00 N ATOM 407 CA GLN A 27 -7.052 -2.377 -6.422 1.00 0.00 C ATOM 408 C GLN A 27 -6.848 -3.564 -5.455 1.00 0.00 C ATOM 409 O GLN A 27 -6.553 -4.670 -5.906 1.00 0.00 O ATOM 410 CB GLN A 27 -5.853 -1.412 -6.515 1.00 0.00 C ATOM 411 CG GLN A 27 -5.347 -0.907 -5.161 1.00 0.00 C ATOM 412 CD GLN A 27 -4.293 -1.800 -4.537 1.00 0.00 C ATOM 413 OE1 GLN A 27 -4.339 -3.012 -4.543 1.00 0.00 O ATOM 414 NE2 GLN A 27 -3.295 -1.239 -3.916 1.00 0.00 N ATOM 0 H GLN A 27 -8.113 -0.640 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.150 -2.831 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.035 -1.915 -7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.137 -0.556 -7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.935 0.094 -5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.191 -0.821 -4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.219 -0.222 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.590 -1.816 -3.458 1.00 0.00 H new ATOM 423 N ALA A 28 -7.099 -3.383 -4.146 1.00 0.00 N ATOM 424 CA ALA A 28 -6.850 -4.414 -3.132 1.00 0.00 C ATOM 425 C ALA A 28 -7.643 -5.670 -3.447 1.00 0.00 C ATOM 426 O ALA A 28 -7.106 -6.774 -3.566 1.00 0.00 O ATOM 427 CB ALA A 28 -7.253 -3.918 -1.736 1.00 0.00 C ATOM 0 H ALA A 28 -7.480 -2.517 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.783 -4.636 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.059 -4.700 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.672 -3.031 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.314 -3.670 -1.730 1.00 0.00 H new ATOM 433 N ARG A 29 -8.954 -5.486 -3.606 1.00 0.00 N ATOM 434 CA ARG A 29 -9.858 -6.564 -3.978 1.00 0.00 C ATOM 435 C ARG A 29 -9.525 -7.155 -5.348 1.00 0.00 C ATOM 436 O ARG A 29 -9.663 -8.363 -5.532 1.00 0.00 O ATOM 437 CB ARG A 29 -11.289 -6.025 -3.927 1.00 0.00 C ATOM 438 CG ARG A 29 -12.266 -7.185 -4.113 1.00 0.00 C ATOM 439 CD ARG A 29 -13.670 -6.786 -3.655 1.00 0.00 C ATOM 440 NE ARG A 29 -14.565 -7.957 -3.609 1.00 0.00 N ATOM 441 CZ ARG A 29 -14.546 -8.931 -2.716 1.00 0.00 C ATOM 442 NH1 ARG A 29 -13.691 -8.934 -1.732 1.00 0.00 N ATOM 443 NH2 ARG A 29 -15.378 -9.928 -2.790 1.00 0.00 N ATOM 0 H ARG A 29 -9.414 -4.585 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.746 -7.386 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.471 -5.529 -2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.438 -5.279 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.291 -7.482 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.924 -8.050 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.617 -6.326 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.079 -6.038 -4.334 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.271 -8.022 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.018 -8.174 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.695 -9.697 -1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.061 -9.967 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.348 -10.670 -2.091 1.00 0.00 H new ATOM 457 N LYS A 30 -9.094 -6.319 -6.301 1.00 0.00 N ATOM 458 CA LYS A 30 -8.670 -6.732 -7.647 1.00 0.00 C ATOM 459 C LYS A 30 -7.501 -7.716 -7.608 1.00 0.00 C ATOM 460 O LYS A 30 -7.506 -8.730 -8.317 1.00 0.00 O ATOM 461 CB LYS A 30 -8.282 -5.492 -8.472 1.00 0.00 C ATOM 462 CG LYS A 30 -8.141 -5.788 -9.964 1.00 0.00 C ATOM 463 CD LYS A 30 -9.511 -6.075 -10.596 1.00 0.00 C ATOM 464 CE LYS A 30 -9.492 -5.822 -12.107 1.00 0.00 C ATOM 465 NZ LYS A 30 -9.224 -4.390 -12.426 1.00 0.00 N ATOM 0 H LYS A 30 -9.028 -5.312 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.511 -7.243 -8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.036 -4.718 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.340 -5.092 -8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.675 -4.939 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.482 -6.644 -10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.794 -7.110 -10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.268 -5.445 -10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.728 -6.447 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.449 -6.117 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.621 -4.162 -13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.667 -3.785 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.198 -4.223 -12.436 1.00 0.00 H new ATOM 479 N ALA A 31 -6.469 -7.398 -6.830 1.00 0.00 N ATOM 480 CA ALA A 31 -5.325 -8.275 -6.655 1.00 0.00 C ATOM 481 C ALA A 31 -5.715 -9.546 -5.897 1.00 0.00 C ATOM 482 O ALA A 31 -5.304 -10.636 -6.318 1.00 0.00 O ATOM 483 CB ALA A 31 -4.199 -7.513 -5.963 1.00 0.00 C ATOM 0 H ALA A 31 -6.407 -6.525 -6.306 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.966 -8.597 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.341 -8.172 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.910 -6.657 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.541 -7.164 -4.988 1.00 0.00 H new ATOM 489 N GLY A 32 -6.548 -9.408 -4.857 1.00 0.00 N ATOM 490 CA GLY A 32 -6.980 -10.497 -3.987 1.00 0.00 C ATOM 491 C GLY A 32 -5.833 -11.002 -3.118 1.00 0.00 C ATOM 492 O GLY A 32 -4.828 -10.322 -2.935 1.00 0.00 O ATOM 0 H GLY A 32 -6.949 -8.507 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.797 -10.155 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.368 -11.316 -4.592 1.00 0.00 H new ATOM 496 N LEU A 33 -5.982 -12.200 -2.558 1.00 0.00 N ATOM 497 CA LEU A 33 -5.024 -12.805 -1.624 1.00 0.00 C ATOM 498 C LEU A 33 -4.204 -13.908 -2.316 1.00 0.00 C ATOM 499 O LEU A 33 -3.959 -14.975 -1.756 1.00 0.00 O ATOM 500 CB LEU A 33 -5.757 -13.349 -0.389 1.00 0.00 C ATOM 501 CG LEU A 33 -6.925 -12.516 0.152 1.00 0.00 C ATOM 502 CD1 LEU A 33 -7.734 -13.434 1.053 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.502 -11.232 0.861 1.00 0.00 C ATOM 0 H LEU A 33 -6.790 -12.795 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.326 -12.035 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.133 -14.343 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.027 -13.469 0.412 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.525 -12.153 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.581 -12.885 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.098 -14.283 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.104 -13.793 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.387 -10.702 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.865 -11.478 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.952 -10.597 0.167 1.00 0.00 H new ATOM 515 N THR A 34 -3.878 -13.715 -3.593 1.00 0.00 N ATOM 516 CA THR A 34 -3.224 -14.742 -4.413 1.00 0.00 C ATOM 517 C THR A 34 -2.182 -14.107 -5.307 1.00 0.00 C ATOM 518 O THR A 34 -2.507 -13.303 -6.182 1.00 0.00 O ATOM 519 CB THR A 34 -4.221 -15.506 -5.294 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.301 -15.971 -4.527 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.568 -16.701 -6.004 1.00 0.00 C ATOM 0 H THR A 34 -4.058 -12.844 -4.091 1.00 0.00 H new ATOM 0 HA THR A 34 -2.762 -15.448 -3.723 1.00 0.00 H new ATOM 0 HB THR A 34 -4.572 -14.804 -6.050 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.928 -16.455 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.312 -17.211 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.756 -16.347 -6.639 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.172 -17.394 -5.261 1.00 0.00 H new ATOM 529 N THR A 35 -0.934 -14.522 -5.136 1.00 0.00 N ATOM 530 CA THR A 35 0.226 -14.103 -5.924 1.00 0.00 C ATOM 531 C THR A 35 1.059 -15.306 -6.367 1.00 0.00 C ATOM 532 O THR A 35 0.796 -16.433 -5.958 1.00 0.00 O ATOM 533 CB THR A 35 1.071 -13.124 -5.116 1.00 0.00 C ATOM 534 OG1 THR A 35 2.074 -12.606 -5.955 1.00 0.00 O ATOM 535 CG2 THR A 35 1.684 -13.780 -3.874 1.00 0.00 C ATOM 0 H THR A 35 -0.687 -15.193 -4.409 1.00 0.00 H new ATOM 0 HA THR A 35 -0.129 -13.604 -6.826 1.00 0.00 H new ATOM 0 HB THR A 35 0.430 -12.320 -4.754 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.394 -11.753 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.277 -13.045 -3.330 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.888 -14.153 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.323 -14.609 -4.178 1.00 0.00 H new ATOM 543 N GLY A 36 2.047 -15.046 -7.217 1.00 0.00 N ATOM 544 CA GLY A 36 3.031 -16.008 -7.705 1.00 0.00 C ATOM 545 C GLY A 36 3.341 -15.842 -9.189 1.00 0.00 C ATOM 546 O GLY A 36 4.401 -16.248 -9.640 1.00 0.00 O ATOM 0 H GLY A 36 2.191 -14.113 -7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.952 -15.899 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.663 -17.018 -7.527 1.00 0.00 H new ATOM 550 N LYS A 37 2.443 -15.179 -9.930 1.00 0.00 N ATOM 551 CA LYS A 37 2.607 -14.840 -11.348 1.00 0.00 C ATOM 552 C LYS A 37 3.830 -13.968 -11.607 1.00 0.00 C ATOM 553 O LYS A 37 4.568 -14.176 -12.560 1.00 0.00 O ATOM 554 CB LYS A 37 1.346 -14.172 -11.908 1.00 0.00 C ATOM 555 CG LYS A 37 0.663 -13.139 -10.992 1.00 0.00 C ATOM 556 CD LYS A 37 -0.481 -13.746 -10.177 1.00 0.00 C ATOM 557 CE LYS A 37 -1.555 -12.685 -9.969 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.459 -13.101 -8.878 1.00 0.00 N ATOM 0 H LYS A 37 1.555 -14.854 -9.546 1.00 0.00 H new ATOM 0 HA LYS A 37 2.767 -15.783 -11.871 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.606 -13.681 -12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.622 -14.951 -12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.403 -12.714 -10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.278 -12.319 -11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.898 -14.608 -10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.111 -14.102 -9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.093 -11.728 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.121 -12.541 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.171 -12.360 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.936 -13.987 -9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.908 -13.249 -8.008 1.00 0.00 H new ATOM 572 N SER A 38 4.032 -12.972 -10.749 1.00 0.00 N ATOM 573 CA SER A 38 5.115 -12.005 -10.878 1.00 0.00 C ATOM 574 C SER A 38 5.773 -11.705 -9.535 1.00 0.00 C ATOM 575 O SER A 38 6.953 -11.998 -9.336 1.00 0.00 O ATOM 576 CB SER A 38 4.551 -10.744 -11.514 1.00 0.00 C ATOM 577 OG SER A 38 3.462 -10.258 -10.737 1.00 0.00 O ATOM 0 H SER A 38 3.440 -12.813 -9.934 1.00 0.00 H new ATOM 0 HA SER A 38 5.899 -12.421 -11.511 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.328 -9.983 -11.585 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.219 -10.956 -12.530 1.00 0.00 H new ATOM 0 HG SER A 38 2.650 -10.241 -11.286 1.00 0.00 H new ATOM 583 N GLY A 39 5.011 -11.113 -8.621 1.00 0.00 N ATOM 584 CA GLY A 39 5.454 -10.735 -7.290 1.00 0.00 C ATOM 585 C GLY A 39 4.336 -10.174 -6.429 1.00 0.00 C ATOM 586 O GLY A 39 4.385 -10.329 -5.215 1.00 0.00 O ATOM 0 H GLY A 39 4.034 -10.876 -8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.884 -11.606 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.247 -9.992 -7.374 1.00 0.00 H new ATOM 590 N ASP A 40 3.340 -9.527 -7.035 1.00 0.00 N ATOM 591 CA ASP A 40 2.201 -8.952 -6.325 1.00 0.00 C ATOM 592 C ASP A 40 0.892 -9.742 -6.532 1.00 0.00 C ATOM 593 O ASP A 40 0.733 -10.498 -7.501 1.00 0.00 O ATOM 594 CB ASP A 40 2.051 -7.468 -6.642 1.00 0.00 C ATOM 595 CG ASP A 40 2.219 -7.218 -8.116 1.00 0.00 C ATOM 596 OD1 ASP A 40 1.199 -7.260 -8.821 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.395 -6.977 -8.475 1.00 0.00 O ATOM 0 H ASP A 40 3.303 -9.387 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 40 2.415 -9.039 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.070 -7.120 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.792 -6.895 -6.084 1.00 0.00 H new ATOM 602 N PRO A 41 -0.043 -9.647 -5.568 1.00 0.00 N ATOM 603 CA PRO A 41 0.104 -9.023 -4.242 1.00 0.00 C ATOM 604 C PRO A 41 1.162 -9.690 -3.367 1.00 0.00 C ATOM 605 O PRO A 41 1.736 -10.693 -3.757 1.00 0.00 O ATOM 606 CB PRO A 41 -1.285 -9.123 -3.618 1.00 0.00 C ATOM 607 CG PRO A 41 -1.882 -10.370 -4.257 1.00 0.00 C ATOM 608 CD PRO A 41 -1.304 -10.352 -5.661 1.00 0.00 C ATOM 0 HA PRO A 41 0.456 -7.995 -4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.230 -9.216 -2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.884 -8.238 -3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.599 -11.274 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.971 -10.334 -4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.157 -11.365 -6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.980 -9.851 -6.354 1.00 0.00 H new ATOM 616 N HIS A 42 1.479 -9.128 -2.208 1.00 0.00 N ATOM 617 CA HIS A 42 2.514 -9.692 -1.327 1.00 0.00 C ATOM 618 C HIS A 42 1.892 -10.021 0.017 1.00 0.00 C ATOM 619 O HIS A 42 0.980 -9.329 0.462 1.00 0.00 O ATOM 620 CB HIS A 42 3.725 -8.755 -1.171 1.00 0.00 C ATOM 621 CG HIS A 42 3.968 -7.839 -2.339 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.321 -6.643 -2.558 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.785 -8.092 -3.398 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.732 -6.178 -3.752 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.624 -7.044 -4.284 1.00 0.00 N ATOM 0 H HIS A 42 1.038 -8.281 -1.849 1.00 0.00 H new ATOM 0 HA HIS A 42 2.898 -10.604 -1.784 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.585 -8.150 -0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.617 -9.361 -1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.434 -8.947 -3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.402 -5.259 -4.213 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.096 -6.941 -5.183 1.00 0.00 H new ATOM 634 N ARG A 43 2.380 -11.070 0.669 1.00 0.00 N ATOM 635 CA ARG A 43 1.916 -11.442 2.005 1.00 0.00 C ATOM 636 C ARG A 43 2.398 -10.419 3.026 1.00 0.00 C ATOM 637 O ARG A 43 3.586 -10.136 3.093 1.00 0.00 O ATOM 638 CB ARG A 43 2.440 -12.833 2.355 1.00 0.00 C ATOM 639 CG ARG A 43 1.533 -13.946 1.820 1.00 0.00 C ATOM 640 CD ARG A 43 0.219 -14.077 2.611 1.00 0.00 C ATOM 641 NE ARG A 43 0.419 -14.604 3.966 1.00 0.00 N ATOM 642 CZ ARG A 43 0.647 -15.861 4.311 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.684 -16.816 3.426 1.00 0.00 N ATOM 644 NH2 ARG A 43 0.866 -16.180 5.554 1.00 0.00 N ATOM 0 H ARG A 43 3.103 -11.684 0.292 1.00 0.00 H new ATOM 0 HA ARG A 43 0.826 -11.459 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.442 -12.955 1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.525 -12.925 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.303 -13.749 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.069 -14.894 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.261 -13.100 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.462 -14.732 2.068 1.00 0.00 H new ATOM 0 HE ARG A 43 0.378 -13.926 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.535 -16.603 2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.862 -17.777 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.863 -15.458 6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.041 -17.152 5.808 1.00 0.00 H new ATOM 658 N TYR A 44 1.470 -9.911 3.821 1.00 0.00 N ATOM 659 CA TYR A 44 1.738 -8.960 4.886 1.00 0.00 C ATOM 660 C TYR A 44 1.610 -9.674 6.235 1.00 0.00 C ATOM 661 O TYR A 44 0.553 -10.210 6.572 1.00 0.00 O ATOM 662 CB TYR A 44 0.790 -7.769 4.740 1.00 0.00 C ATOM 663 CG TYR A 44 1.186 -6.572 5.559 1.00 0.00 C ATOM 664 CD1 TYR A 44 2.223 -5.735 5.109 1.00 0.00 C ATOM 665 CD2 TYR A 44 0.524 -6.289 6.767 1.00 0.00 C ATOM 666 CE1 TYR A 44 2.642 -4.651 5.901 1.00 0.00 C ATOM 667 CE2 TYR A 44 0.876 -5.160 7.510 1.00 0.00 C ATOM 668 CZ TYR A 44 1.979 -4.389 7.120 1.00 0.00 C ATOM 669 OH TYR A 44 2.448 -3.497 8.018 1.00 0.00 O ATOM 0 H TYR A 44 0.483 -10.156 3.740 1.00 0.00 H new ATOM 0 HA TYR A 44 2.754 -8.569 4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.745 -7.480 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.214 -8.079 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.697 -5.924 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.257 -6.945 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.462 -4.026 5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.301 -4.883 8.381 1.00 0.00 H new ATOM 0 HH TYR A 44 1.846 -3.463 8.790 1.00 0.00 H new ATOM 679 N PHE A 45 2.694 -9.728 7.007 1.00 0.00 N ATOM 680 CA PHE A 45 2.733 -10.377 8.332 1.00 0.00 C ATOM 681 C PHE A 45 2.586 -9.393 9.486 1.00 0.00 C ATOM 682 O PHE A 45 3.115 -9.624 10.565 1.00 0.00 O ATOM 683 CB PHE A 45 4.010 -11.218 8.461 1.00 0.00 C ATOM 684 CG PHE A 45 4.191 -12.279 7.399 1.00 0.00 C ATOM 685 CD1 PHE A 45 3.085 -12.781 6.690 1.00 0.00 C ATOM 686 CD2 PHE A 45 5.477 -12.779 7.128 1.00 0.00 C ATOM 687 CE1 PHE A 45 3.285 -13.756 5.710 1.00 0.00 C ATOM 688 CE2 PHE A 45 5.665 -13.754 6.133 1.00 0.00 C ATOM 689 CZ PHE A 45 4.564 -14.235 5.409 1.00 0.00 C ATOM 0 H PHE A 45 3.587 -9.318 6.733 1.00 0.00 H new ATOM 0 HA PHE A 45 1.866 -11.034 8.401 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.871 -10.550 8.435 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.011 -11.701 9.438 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.091 -12.416 6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.325 -12.412 7.687 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.434 -14.148 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.655 -14.132 5.926 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.703 -14.967 4.627 1.00 0.00 H new ATOM 699 N ALA A 46 1.928 -8.266 9.221 1.00 0.00 N ATOM 700 CA ALA A 46 1.756 -7.157 10.157 1.00 0.00 C ATOM 701 C ALA A 46 3.017 -6.751 10.948 1.00 0.00 C ATOM 702 O ALA A 46 2.962 -6.258 12.069 1.00 0.00 O ATOM 703 CB ALA A 46 0.543 -7.438 11.024 1.00 0.00 C ATOM 0 H ALA A 46 1.485 -8.094 8.318 1.00 0.00 H new ATOM 0 HA ALA A 46 1.577 -6.256 9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.402 -6.618 11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.341 -7.531 10.393 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.696 -8.367 11.574 1.00 0.00 H new ATOM 709 N GLY A 47 4.175 -6.926 10.313 1.00 0.00 N ATOM 710 CA GLY A 47 5.502 -6.869 10.929 1.00 0.00 C ATOM 711 C GLY A 47 6.396 -5.790 10.322 1.00 0.00 C ATOM 712 O GLY A 47 7.613 -5.830 10.470 1.00 0.00 O ATOM 0 H GLY A 47 4.217 -7.120 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.393 -6.684 11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.988 -7.839 10.822 1.00 0.00 H new ATOM 716 N ASP A 48 5.789 -4.793 9.674 1.00 0.00 N ATOM 717 CA ASP A 48 6.477 -3.689 8.986 1.00 0.00 C ATOM 718 C ASP A 48 6.532 -2.423 9.863 1.00 0.00 C ATOM 719 O ASP A 48 6.469 -1.287 9.399 1.00 0.00 O ATOM 720 CB ASP A 48 5.831 -3.443 7.617 1.00 0.00 C ATOM 721 CG ASP A 48 6.809 -2.827 6.603 1.00 0.00 C ATOM 722 OD1 ASP A 48 7.817 -2.216 7.023 1.00 0.00 O ATOM 723 OD2 ASP A 48 6.535 -3.026 5.405 1.00 0.00 O ATOM 0 H ASP A 48 4.773 -4.726 9.609 1.00 0.00 H new ATOM 0 HA ASP A 48 7.515 -3.971 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.452 -4.386 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.974 -2.781 7.738 1.00 0.00 H new ATOM 728 N HIS A 49 6.561 -2.607 11.194 1.00 0.00 N ATOM 729 CA HIS A 49 6.570 -1.502 12.168 1.00 0.00 C ATOM 730 C HIS A 49 5.361 -0.556 12.017 1.00 0.00 C ATOM 731 O HIS A 49 5.483 0.663 12.133 1.00 0.00 O ATOM 732 CB HIS A 49 7.931 -0.781 12.059 1.00 0.00 C ATOM 733 CG HIS A 49 9.008 -1.388 12.900 1.00 0.00 C ATOM 734 ND1 HIS A 49 9.624 -0.738 13.944 1.00 0.00 N ATOM 735 CD2 HIS A 49 9.588 -2.615 12.734 1.00 0.00 C ATOM 736 CE1 HIS A 49 10.570 -1.565 14.430 1.00 0.00 C ATOM 737 NE2 HIS A 49 10.565 -2.712 13.710 1.00 0.00 N ATOM 0 H HIS A 49 6.579 -3.531 11.626 1.00 0.00 H new ATOM 0 HA HIS A 49 6.459 -1.903 13.176 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.251 -0.786 11.017 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.803 0.262 12.348 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.335 -3.358 11.992 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.226 -1.348 15.260 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.178 -3.513 13.861 1.00 0.00 H new ATOM 746 N ILE A 50 4.167 -1.125 11.829 1.00 0.00 N ATOM 747 CA ILE A 50 2.934 -0.359 11.607 1.00 0.00 C ATOM 748 C ILE A 50 1.946 -0.619 12.737 1.00 0.00 C ATOM 749 O ILE A 50 2.128 -1.508 13.558 1.00 0.00 O ATOM 750 CB ILE A 50 2.317 -0.622 10.209 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.427 -0.674 9.153 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.288 0.481 9.899 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.921 -0.592 7.719 1.00 0.00 C ATOM 0 H ILE A 50 4.026 -2.135 11.826 1.00 0.00 H new ATOM 0 HA ILE A 50 3.188 0.701 11.618 1.00 0.00 H new ATOM 0 HB ILE A 50 1.805 -1.584 10.196 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.122 0.147 9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.989 -1.600 9.277 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.849 0.304 8.917 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.503 0.469 10.655 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.783 1.452 9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.766 -0.635 7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.250 -1.428 7.522 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.384 0.346 7.576 1.00 0.00 H new ATOM 765 N ARG A 51 0.891 0.191 12.802 1.00 0.00 N ATOM 766 CA ARG A 51 -0.224 0.062 13.700 1.00 0.00 C ATOM 767 C ARG A 51 -1.420 0.603 12.952 1.00 0.00 C ATOM 768 O ARG A 51 -1.444 1.774 12.574 1.00 0.00 O ATOM 769 CB ARG A 51 0.103 0.796 15.005 1.00 0.00 C ATOM 770 CG ARG A 51 -0.911 1.858 15.435 1.00 0.00 C ATOM 771 CD ARG A 51 -0.923 1.999 16.946 1.00 0.00 C ATOM 772 NE ARG A 51 -1.367 3.347 17.360 1.00 0.00 N ATOM 773 CZ ARG A 51 -1.902 3.659 18.527 1.00 0.00 C ATOM 774 NH1 ARG A 51 -2.138 2.745 19.422 1.00 0.00 N ATOM 775 NH2 ARG A 51 -2.202 4.894 18.816 1.00 0.00 N ATOM 0 H ARG A 51 0.799 0.999 12.187 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.443 -0.964 13.997 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.192 0.059 15.803 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.078 1.271 14.900 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.661 2.815 14.976 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.905 1.585 15.081 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.585 1.248 17.377 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.076 1.807 17.339 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.250 4.103 16.685 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.909 1.770 19.228 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.552 3.003 20.318 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.024 5.634 18.137 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.615 5.120 19.721 1.00 0.00 H new ATOM 789 N TRP A 52 -2.422 -0.230 12.850 1.00 0.00 N ATOM 790 CA TRP A 52 -3.737 0.090 12.272 1.00 0.00 C ATOM 791 C TRP A 52 -4.819 0.304 13.338 1.00 0.00 C ATOM 792 O TRP A 52 -5.996 0.367 13.021 1.00 0.00 O ATOM 793 CB TRP A 52 -4.124 -0.977 11.253 1.00 0.00 C ATOM 794 CG TRP A 52 -3.036 -1.346 10.315 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.107 -2.314 10.496 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.741 -0.722 9.045 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.259 -2.335 9.407 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.605 -1.370 8.485 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.317 0.344 8.331 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.080 -0.998 7.246 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.773 0.750 7.109 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.701 0.050 6.544 1.00 0.00 C ATOM 0 H TRP A 52 -2.360 -1.195 13.176 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.656 1.047 11.756 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.448 -1.871 11.785 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.979 -0.621 10.678 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.040 -2.965 11.355 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.477 -2.981 9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.184 0.851 8.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.218 -1.503 6.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.182 1.609 6.598 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.347 0.317 5.559 1.00 0.00 H new ATOM 813 N GLY A 53 -4.412 0.404 14.613 1.00 0.00 N ATOM 814 CA GLY A 53 -5.310 0.508 15.772 1.00 0.00 C ATOM 815 C GLY A 53 -6.405 -0.567 15.831 1.00 0.00 C ATOM 816 O GLY A 53 -7.449 -0.329 16.427 1.00 0.00 O ATOM 0 H GLY A 53 -3.425 0.415 14.872 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.714 0.451 16.683 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.783 1.490 15.761 1.00 0.00 H new ATOM 820 N VAL A 54 -6.173 -1.726 15.211 1.00 0.00 N ATOM 821 CA VAL A 54 -7.137 -2.820 15.042 1.00 0.00 C ATOM 822 C VAL A 54 -6.489 -4.132 15.450 1.00 0.00 C ATOM 823 O VAL A 54 -5.474 -4.503 14.876 1.00 0.00 O ATOM 824 CB VAL A 54 -7.637 -2.909 13.579 1.00 0.00 C ATOM 825 CG1 VAL A 54 -6.541 -3.211 12.566 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.735 -3.976 13.422 1.00 0.00 C ATOM 0 H VAL A 54 -5.267 -1.939 14.793 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.999 -2.621 15.678 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.030 -1.914 13.367 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.972 -3.257 11.566 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.787 -2.424 12.600 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.078 -4.168 12.806 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.062 -4.011 12.383 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.340 -4.950 13.711 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.581 -3.724 14.061 1.00 0.00 H new ATOM 836 N ASN A 55 -7.119 -4.893 16.340 1.00 0.00 N ATOM 837 CA ASN A 55 -6.611 -6.195 16.794 1.00 0.00 C ATOM 838 C ASN A 55 -6.188 -7.118 15.642 1.00 0.00 C ATOM 839 O ASN A 55 -5.085 -7.623 15.651 1.00 0.00 O ATOM 840 CB ASN A 55 -7.684 -6.900 17.625 1.00 0.00 C ATOM 841 CG ASN A 55 -8.127 -6.074 18.808 1.00 0.00 C ATOM 842 OD1 ASN A 55 -7.384 -5.781 19.718 1.00 0.00 O ATOM 843 ND2 ASN A 55 -9.362 -5.637 18.811 1.00 0.00 N ATOM 0 H ASN A 55 -8.003 -4.627 16.773 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.721 -5.992 17.389 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.545 -7.117 16.993 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.298 -7.857 17.977 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.694 -5.052 19.578 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.991 -5.881 18.046 1.00 0.00 H new ATOM 850 N ASN A 56 -7.060 -7.343 14.651 1.00 0.00 N ATOM 851 CA ASN A 56 -6.803 -8.194 13.481 1.00 0.00 C ATOM 852 C ASN A 56 -5.448 -7.942 12.827 1.00 0.00 C ATOM 853 O ASN A 56 -4.678 -8.875 12.632 1.00 0.00 O ATOM 854 CB ASN A 56 -7.903 -7.978 12.428 1.00 0.00 C ATOM 855 CG ASN A 56 -9.112 -8.849 12.669 1.00 0.00 C ATOM 856 OD1 ASN A 56 -9.557 -9.037 13.788 1.00 0.00 O ATOM 857 ND2 ASN A 56 -9.667 -9.416 11.626 1.00 0.00 N ATOM 0 H ASN A 56 -7.991 -6.926 14.640 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.801 -9.220 13.849 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.206 -6.931 12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.500 -8.188 11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.479 -10.021 11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.287 -9.252 10.694 1.00 0.00 H new ATOM 864 N CYS A 57 -5.222 -6.701 12.402 1.00 0.00 N ATOM 865 CA CYS A 57 -3.944 -6.293 11.850 1.00 0.00 C ATOM 866 C CYS A 57 -2.855 -6.169 12.918 1.00 0.00 C ATOM 867 O CYS A 57 -1.709 -6.386 12.592 1.00 0.00 O ATOM 868 CB CYS A 57 -4.119 -4.988 11.084 1.00 0.00 C ATOM 869 SG CYS A 57 -5.505 -4.994 9.919 1.00 0.00 S ATOM 0 H CYS A 57 -5.919 -5.957 12.433 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.607 -7.072 11.167 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.262 -4.177 11.798 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.200 -4.774 10.538 1.00 0.00 H new ATOM 874 N ASP A 58 -3.171 -5.868 14.174 1.00 0.00 N ATOM 875 CA ASP A 58 -2.252 -5.839 15.331 1.00 0.00 C ATOM 876 C ASP A 58 -2.008 -7.245 15.932 1.00 0.00 C ATOM 877 O ASP A 58 -1.728 -7.402 17.117 1.00 0.00 O ATOM 878 CB ASP A 58 -2.823 -4.853 16.369 1.00 0.00 C ATOM 879 CG ASP A 58 -1.780 -4.244 17.309 1.00 0.00 C ATOM 880 OD1 ASP A 58 -1.038 -3.366 16.801 1.00 0.00 O ATOM 881 OD2 ASP A 58 -1.850 -4.493 18.531 1.00 0.00 O ATOM 0 H ASP A 58 -4.125 -5.623 14.437 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.269 -5.500 15.003 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.334 -4.047 15.842 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.574 -5.369 16.967 1.00 0.00 H new ATOM 886 N LYS A 59 -2.161 -8.305 15.128 1.00 0.00 N ATOM 887 CA LYS A 59 -1.868 -9.688 15.530 1.00 0.00 C ATOM 888 C LYS A 59 -0.466 -10.111 15.099 1.00 0.00 C ATOM 889 O LYS A 59 0.166 -9.472 14.265 1.00 0.00 O ATOM 890 CB LYS A 59 -2.902 -10.635 14.926 1.00 0.00 C ATOM 891 CG LYS A 59 -4.249 -10.639 15.651 1.00 0.00 C ATOM 892 CD LYS A 59 -4.916 -12.007 15.514 1.00 0.00 C ATOM 893 CE LYS A 59 -6.424 -11.887 15.730 1.00 0.00 C ATOM 894 NZ LYS A 59 -7.093 -13.146 15.331 1.00 0.00 N ATOM 0 H LYS A 59 -2.496 -8.226 14.168 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.916 -9.738 16.618 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.064 -10.361 13.884 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.497 -11.647 14.930 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.104 -10.400 16.705 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.897 -9.867 15.235 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.715 -12.419 14.525 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.492 -12.700 16.241 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.634 -11.670 16.777 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.818 -11.055 15.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.118 -13.057 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.905 -13.336 14.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.726 -13.931 15.906 1.00 0.00 H new ATOM 908 N ALA A 60 -0.034 -11.254 15.624 1.00 0.00 N ATOM 909 CA ALA A 60 1.257 -11.859 15.322 1.00 0.00 C ATOM 910 C ALA A 60 1.119 -12.958 14.252 1.00 0.00 C ATOM 911 O ALA A 60 1.782 -12.918 13.221 1.00 0.00 O ATOM 912 CB ALA A 60 1.875 -12.363 16.638 1.00 0.00 C ATOM 0 H ALA A 60 -0.586 -11.797 16.287 1.00 0.00 H new ATOM 0 HA ALA A 60 1.933 -11.122 14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.843 -12.820 16.434 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.006 -11.525 17.323 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.214 -13.101 17.091 1.00 0.00 H new ATOM 918 N ASP A 61 0.222 -13.926 14.461 1.00 0.00 N ATOM 919 CA ASP A 61 -0.041 -15.050 13.546 1.00 0.00 C ATOM 920 C ASP A 61 -1.125 -14.746 12.487 1.00 0.00 C ATOM 921 O ASP A 61 -1.784 -15.635 11.950 1.00 0.00 O ATOM 922 CB ASP A 61 -0.353 -16.302 14.383 1.00 0.00 C ATOM 923 CG ASP A 61 -1.673 -16.163 15.159 1.00 0.00 C ATOM 924 OD1 ASP A 61 -1.684 -15.347 16.112 1.00 0.00 O ATOM 925 OD2 ASP A 61 -2.669 -16.826 14.797 1.00 0.00 O ATOM 0 H ASP A 61 -0.362 -13.953 15.297 1.00 0.00 H new ATOM 0 HA ASP A 61 0.855 -15.230 12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.408 -17.171 13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.462 -16.482 15.084 1.00 0.00 H new ATOM 930 N ALA A 62 -1.316 -13.468 12.157 1.00 0.00 N ATOM 931 CA ALA A 62 -2.284 -13.053 11.152 1.00 0.00 C ATOM 932 C ALA A 62 -1.790 -13.250 9.712 1.00 0.00 C ATOM 933 O ALA A 62 -0.620 -13.500 9.418 1.00 0.00 O ATOM 934 CB ALA A 62 -2.690 -11.604 11.417 1.00 0.00 C ATOM 0 H ALA A 62 -0.802 -12.695 12.581 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.156 -13.700 11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.415 -11.286 10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.135 -11.527 12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.809 -10.964 11.364 1.00 0.00 H new ATOM 940 N ILE A 63 -2.724 -13.081 8.776 1.00 0.00 N ATOM 941 CA ILE A 63 -2.494 -13.253 7.347 1.00 0.00 C ATOM 942 C ILE A 63 -3.092 -12.053 6.626 1.00 0.00 C ATOM 943 O ILE A 63 -4.261 -12.042 6.239 1.00 0.00 O ATOM 944 CB ILE A 63 -3.065 -14.599 6.851 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.507 -15.815 7.634 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.769 -14.740 5.347 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.487 -16.995 7.677 1.00 0.00 C ATOM 0 H ILE A 63 -3.683 -12.814 8.999 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.426 -13.293 7.132 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.141 -14.594 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.574 -16.140 7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.270 -15.508 8.653 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.168 -15.688 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.238 -13.918 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.692 -14.714 5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.042 -17.817 8.238 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.412 -16.683 8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.704 -17.325 6.661 1.00 0.00 H new ATOM 959 N LEU A 64 -2.296 -11.005 6.483 1.00 0.00 N ATOM 960 CA LEU A 64 -2.649 -9.838 5.688 1.00 0.00 C ATOM 961 C LEU A 64 -1.943 -9.902 4.329 1.00 0.00 C ATOM 962 O LEU A 64 -1.184 -10.828 4.028 1.00 0.00 O ATOM 963 CB LEU A 64 -2.313 -8.559 6.472 1.00 0.00 C ATOM 964 CG LEU A 64 -3.253 -8.165 7.617 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.144 -9.099 8.820 1.00 0.00 C ATOM 966 CD2 LEU A 64 -2.944 -6.741 8.064 1.00 0.00 C ATOM 0 H LEU A 64 -1.377 -10.940 6.920 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.721 -9.825 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.310 -8.670 6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.278 -7.730 5.765 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.271 -8.240 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.832 -8.771 9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.397 -10.115 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.124 -9.079 9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.613 -6.462 8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.911 -6.683 8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.087 -6.058 7.227 1.00 0.00 H new ATOM 978 N TRP A 65 -2.196 -8.895 3.509 1.00 0.00 N ATOM 979 CA TRP A 65 -1.644 -8.716 2.182 1.00 0.00 C ATOM 980 C TRP A 65 -1.424 -7.244 1.890 1.00 0.00 C ATOM 981 O TRP A 65 -2.133 -6.404 2.436 1.00 0.00 O ATOM 982 CB TRP A 65 -2.622 -9.312 1.179 1.00 0.00 C ATOM 983 CG TRP A 65 -2.632 -10.801 1.192 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.311 -11.597 2.046 1.00 0.00 C ATOM 985 CD2 TRP A 65 -1.861 -11.684 0.347 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.018 -12.918 1.770 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.165 -13.028 0.694 1.00 0.00 C ATOM 988 CE3 TRP A 65 -0.932 -11.474 -0.682 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.600 -14.113 0.014 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.309 -12.549 -1.330 1.00 0.00 C ATOM 991 CH2 TRP A 65 -0.649 -13.872 -0.990 1.00 0.00 C ATOM 0 H TRP A 65 -2.829 -8.139 3.770 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.678 -9.217 2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.625 -8.945 1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.365 -8.964 0.178 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.978 -11.254 2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.386 -13.711 2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.692 -10.464 -0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.892 -15.124 0.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.433 -12.362 -2.092 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.179 -14.700 -1.500 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.456 -6.966 1.020 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.080 -5.631 0.579 1.00 0.00 C ATOM 1004 C GLU A 66 -0.010 -5.524 -0.955 1.00 0.00 C ATOM 1005 O GLU A 66 0.501 -6.422 -1.643 1.00 0.00 O ATOM 1006 CB GLU A 66 1.230 -5.175 1.239 1.00 0.00 C ATOM 1007 CG GLU A 66 2.413 -6.089 0.910 1.00 0.00 C ATOM 1008 CD GLU A 66 3.722 -5.305 0.908 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.075 -4.779 1.979 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.282 -5.163 -0.213 1.00 0.00 O ATOM 0 H GLU A 66 0.109 -7.697 0.587 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.868 -4.952 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.460 -4.160 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.094 -5.141 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.469 -6.896 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.260 -6.552 -0.065 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.455 -4.392 -1.502 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.425 -4.168 -2.951 1.00 0.00 C ATOM 1019 C TYR A 67 -0.239 -2.688 -3.313 1.00 0.00 C ATOM 1020 O TYR A 67 -0.846 -1.832 -2.678 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.704 -4.712 -3.585 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.645 -4.830 -5.101 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.928 -3.743 -5.929 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -1.260 -6.027 -5.709 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.949 -3.857 -7.326 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -1.254 -6.171 -7.107 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.651 -5.094 -7.922 1.00 0.00 C ATOM 1028 OH TYR A 67 -1.796 -5.273 -9.258 1.00 0.00 O ATOM 0 H TYR A 67 -0.841 -3.615 -0.965 1.00 0.00 H new ATOM 0 HA TYR A 67 0.439 -4.702 -3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.916 -5.694 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.536 -4.062 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.137 -2.784 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.960 -6.860 -5.091 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.192 -3.002 -7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.946 -7.104 -7.554 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.084 -5.859 -9.589 1.00 0.00 H new ATOM 1038 N PRO A 68 0.607 -2.356 -4.299 1.00 0.00 N ATOM 1039 CA PRO A 68 0.904 -0.983 -4.723 1.00 0.00 C ATOM 1040 C PRO A 68 -0.271 -0.277 -5.399 1.00 0.00 C ATOM 1041 O PRO A 68 -1.089 -0.893 -6.061 1.00 0.00 O ATOM 1042 CB PRO A 68 2.068 -1.122 -5.702 1.00 0.00 C ATOM 1043 CG PRO A 68 1.916 -2.537 -6.242 1.00 0.00 C ATOM 1044 CD PRO A 68 1.365 -3.311 -5.078 1.00 0.00 C ATOM 0 HA PRO A 68 1.133 -0.365 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.012 -0.381 -6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.028 -0.984 -5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.241 -2.568 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.871 -2.942 -6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.732 -4.131 -5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.167 -3.752 -4.486 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.318 1.049 -5.317 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.398 1.824 -5.940 1.00 0.00 C ATOM 1054 C ILE A 69 -0.853 3.057 -6.658 1.00 0.00 C ATOM 1055 O ILE A 69 0.171 3.631 -6.277 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.480 2.140 -4.883 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.806 2.634 -5.480 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.971 3.039 -3.752 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -3.832 4.113 -5.855 1.00 0.00 C ATOM 0 H ILE A 69 0.376 1.613 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.877 1.233 -6.720 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.711 1.178 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.029 2.045 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.604 2.442 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.778 3.224 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.144 2.547 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.628 3.987 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.809 4.367 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.645 4.717 -4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.061 4.313 -6.599 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.576 3.507 -7.677 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.289 4.730 -8.412 1.00 0.00 C ATOM 1073 C TYR A 70 -2.167 5.886 -7.932 1.00 0.00 C ATOM 1074 O TYR A 70 -3.342 5.966 -8.269 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.450 4.466 -9.906 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.373 3.547 -10.455 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.387 2.190 -10.102 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.611 4.018 -11.353 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.601 1.345 -10.605 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.602 3.163 -11.861 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.588 1.808 -11.486 1.00 0.00 C ATOM 1082 OH TYR A 70 2.513 0.941 -11.963 1.00 0.00 O ATOM 0 H TYR A 70 -2.401 3.016 -8.023 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.259 5.032 -8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.429 4.023 -10.090 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.423 5.414 -10.444 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.155 1.804 -9.448 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.601 5.055 -11.654 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.606 0.307 -10.308 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.363 3.540 -12.529 1.00 0.00 H new ATOM 0 HH TYR A 70 2.750 0.298 -11.263 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.595 6.759 -7.099 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.258 7.988 -6.639 1.00 0.00 C ATOM 1094 C TRP A 71 -2.822 8.833 -7.789 1.00 0.00 C ATOM 1095 O TRP A 71 -2.497 8.624 -8.948 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.260 8.844 -5.859 1.00 0.00 C ATOM 1097 CG TRP A 71 0.081 9.014 -6.472 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.443 9.912 -7.412 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.253 8.227 -6.188 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.782 9.743 -7.710 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.328 8.711 -6.980 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.479 7.112 -5.369 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.578 8.083 -6.965 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.758 6.557 -5.269 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.803 7.021 -6.086 1.00 0.00 C ATOM 0 H TRP A 71 -0.655 6.635 -6.722 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.094 7.676 -6.012 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.697 9.832 -5.713 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.131 8.404 -4.870 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.210 10.646 -7.860 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.299 10.309 -8.383 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.661 6.680 -4.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.363 8.417 -7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.945 5.765 -4.558 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.777 6.558 -6.034 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.528 9.913 -7.447 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.187 10.785 -8.437 1.00 0.00 C ATOM 1118 C VAL A 72 -3.223 11.325 -9.493 1.00 0.00 C ATOM 1119 O VAL A 72 -3.526 11.305 -10.674 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.866 11.981 -7.760 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -5.592 12.845 -8.799 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.863 11.537 -6.686 1.00 0.00 C ATOM 0 H VAL A 72 -3.662 10.212 -6.481 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.927 10.153 -8.929 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.081 12.565 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.068 13.689 -8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.874 13.214 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.350 12.247 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.322 12.415 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.636 10.918 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.341 10.962 -5.921 1.00 0.00 H new ATOM 1132 N GLY A 73 -2.086 11.878 -9.054 1.00 0.00 N ATOM 1133 CA GLY A 73 -1.075 12.449 -9.955 1.00 0.00 C ATOM 1134 C GLY A 73 -0.525 11.461 -10.991 1.00 0.00 C ATOM 1135 O GLY A 73 -0.096 11.875 -12.060 1.00 0.00 O ATOM 0 H GLY A 73 -1.840 11.943 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.510 13.301 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.247 12.830 -9.358 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.485 10.166 -10.649 1.00 0.00 N ATOM 1140 CA LYS A 74 -0.182 9.072 -11.571 1.00 0.00 C ATOM 1141 C LYS A 74 -1.338 8.827 -12.558 1.00 0.00 C ATOM 1142 O LYS A 74 -2.459 9.273 -12.372 1.00 0.00 O ATOM 1143 CB LYS A 74 0.112 7.806 -10.750 1.00 0.00 C ATOM 1144 CG LYS A 74 1.594 7.660 -10.408 1.00 0.00 C ATOM 1145 CD LYS A 74 1.829 6.507 -9.417 1.00 0.00 C ATOM 1146 CE LYS A 74 3.290 6.060 -9.380 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.700 5.419 -10.653 1.00 0.00 N ATOM 0 H LYS A 74 -0.668 9.846 -9.698 1.00 0.00 H new ATOM 0 HA LYS A 74 0.691 9.339 -12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.469 7.832 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.216 6.930 -11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.164 7.480 -11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.964 8.592 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.522 6.821 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.200 5.661 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.929 6.921 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.436 5.361 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.267 4.571 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.854 5.148 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.268 6.088 -11.211 1.00 0.00 H new ATOM 1161 N ASN A 75 -1.050 8.033 -13.584 1.00 0.00 N ATOM 1162 CA ASN A 75 -2.025 7.649 -14.609 1.00 0.00 C ATOM 1163 C ASN A 75 -2.008 6.161 -14.952 1.00 0.00 C ATOM 1164 O ASN A 75 -3.052 5.603 -15.270 1.00 0.00 O ATOM 1165 CB ASN A 75 -1.742 8.463 -15.881 1.00 0.00 C ATOM 1166 CG ASN A 75 -2.313 9.865 -15.826 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -1.597 10.844 -15.898 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -3.616 9.996 -15.734 1.00 0.00 N ATOM 0 H ASN A 75 -0.124 7.632 -13.732 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.014 7.859 -14.203 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.665 8.521 -16.036 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.160 7.940 -16.741 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.036 10.926 -15.723 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.209 9.168 -15.674 1.00 0.00 H new ATOM 1175 N ALA A 76 -0.823 5.544 -14.937 1.00 0.00 N ATOM 1176 CA ALA A 76 -0.685 4.106 -15.128 1.00 0.00 C ATOM 1177 C ALA A 76 -1.355 3.321 -13.984 1.00 0.00 C ATOM 1178 O ALA A 76 -1.763 3.899 -12.979 1.00 0.00 O ATOM 1179 CB ALA A 76 0.808 3.774 -15.320 1.00 0.00 C ATOM 0 H ALA A 76 0.062 6.030 -14.792 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.213 3.791 -16.028 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.926 2.700 -15.464 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.189 4.302 -16.195 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.366 4.085 -14.437 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.423 2.002 -14.126 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.919 1.090 -13.101 1.00 0.00 C ATOM 1187 C GLU A 77 -1.026 -0.154 -13.033 1.00 0.00 C ATOM 1188 O GLU A 77 -0.304 -0.474 -13.980 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.380 0.715 -13.391 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.153 0.412 -12.095 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.463 -0.373 -12.314 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -5.492 -1.328 -13.125 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.455 -0.051 -11.622 1.00 0.00 O ATOM 0 H GLU A 77 -1.128 1.525 -14.978 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.886 1.584 -12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.867 1.531 -13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.410 -0.156 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.509 -0.157 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.384 1.352 -11.594 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.037 -0.818 -11.876 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.224 -2.002 -11.631 1.00 0.00 C ATOM 1202 C TRP A 78 -0.845 -3.195 -12.349 1.00 0.00 C ATOM 1203 O TRP A 78 -2.064 -3.323 -12.414 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.120 -2.290 -10.125 1.00 0.00 C ATOM 1205 CG TRP A 78 1.177 -2.909 -9.717 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.412 -4.234 -9.644 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.429 -2.266 -9.324 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.716 -4.454 -9.269 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.390 -3.279 -9.056 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.856 -0.939 -9.110 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.691 -2.993 -8.630 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.165 -0.631 -8.709 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.090 -1.656 -8.460 1.00 0.00 C ATOM 0 H TRP A 78 -1.614 -0.545 -11.081 1.00 0.00 H new ATOM 0 HA TRP A 78 0.782 -1.826 -12.013 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.255 -1.358 -9.576 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.935 -2.952 -9.834 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.685 -5.006 -9.849 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.132 -5.379 -9.162 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.152 -0.133 -9.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.386 -3.796 -8.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.462 0.401 -8.591 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.095 -1.421 -8.142 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.018 -4.109 -12.838 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.502 -5.307 -13.512 1.00 0.00 C ATOM 1226 C ALA A 79 -0.559 -6.516 -12.568 1.00 0.00 C ATOM 1227 O ALA A 79 -0.027 -6.496 -11.467 1.00 0.00 O ATOM 1228 CB ALA A 79 0.356 -5.549 -14.752 1.00 0.00 C ATOM 0 H ALA A 79 0.998 -4.043 -12.780 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.533 -5.158 -13.832 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.006 -6.443 -15.268 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.280 -4.691 -15.420 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.396 -5.686 -14.454 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.215 -7.595 -13.001 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.261 -8.860 -12.250 1.00 0.00 C ATOM 1236 C LYS A 80 0.036 -9.647 -12.426 1.00 0.00 C ATOM 1237 O LYS A 80 0.780 -9.877 -11.478 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.497 -9.668 -12.692 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.786 -9.124 -12.054 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.980 -9.593 -10.602 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.707 -10.945 -10.559 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.309 -11.207 -9.220 1.00 0.00 N ATOM 0 H LYS A 80 -1.730 -7.620 -13.881 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.353 -8.650 -11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.585 -9.634 -13.778 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.367 -10.714 -12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.766 -8.034 -12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.642 -9.441 -12.650 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.011 -9.680 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.553 -8.849 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.489 -10.962 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.006 -11.743 -10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.238 -12.221 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.800 -10.659 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.310 -10.924 -9.228 1.00 0.00 H new ATOM 1256 N ASP A 81 0.317 -10.054 -13.655 1.00 0.00 N ATOM 1257 CA ASP A 81 1.418 -10.959 -13.990 1.00 0.00 C ATOM 1258 C ASP A 81 2.654 -10.162 -14.444 1.00 0.00 C ATOM 1259 O ASP A 81 3.313 -10.483 -15.428 1.00 0.00 O ATOM 1260 CB ASP A 81 0.941 -12.016 -15.007 1.00 0.00 C ATOM 1261 CG ASP A 81 -0.210 -12.934 -14.524 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -1.028 -12.519 -13.661 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -0.254 -14.087 -14.996 1.00 0.00 O ATOM 0 H ASP A 81 -0.223 -9.760 -14.469 1.00 0.00 H new ATOM 0 HA ASP A 81 1.733 -11.510 -13.104 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.618 -11.503 -15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.791 -12.641 -15.281 1.00 0.00 H new ATOM 1268 N VAL A 82 2.982 -9.090 -13.708 1.00 0.00 N ATOM 1269 CA VAL A 82 4.081 -8.168 -14.018 1.00 0.00 C ATOM 1270 C VAL A 82 4.852 -7.790 -12.758 1.00 0.00 C ATOM 1271 O VAL A 82 4.293 -7.232 -11.820 1.00 0.00 O ATOM 1272 CB VAL A 82 3.537 -6.903 -14.690 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.628 -5.842 -14.820 1.00 0.00 C ATOM 1274 CG2 VAL A 82 2.995 -7.191 -16.099 1.00 0.00 C ATOM 0 H VAL A 82 2.477 -8.835 -12.859 1.00 0.00 H new ATOM 0 HA VAL A 82 4.763 -8.675 -14.701 1.00 0.00 H new ATOM 0 HB VAL A 82 2.728 -6.544 -14.054 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.217 -4.954 -15.300 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.000 -5.580 -13.830 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.447 -6.234 -15.423 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.619 -6.268 -16.540 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.795 -7.591 -16.722 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.186 -7.919 -16.036 1.00 0.00 H new ATOM 1284 N LYS A 83 6.158 -8.089 -12.738 1.00 0.00 N ATOM 1285 CA LYS A 83 7.042 -7.755 -11.609 1.00 0.00 C ATOM 1286 C LYS A 83 7.219 -6.245 -11.466 1.00 0.00 C ATOM 1287 O LYS A 83 7.018 -5.503 -12.416 1.00 0.00 O ATOM 1288 CB LYS A 83 8.415 -8.417 -11.789 1.00 0.00 C ATOM 1289 CG LYS A 83 8.347 -9.936 -11.627 1.00 0.00 C ATOM 1290 CD LYS A 83 9.723 -10.509 -11.269 1.00 0.00 C ATOM 1291 CE LYS A 83 9.783 -12.002 -11.607 1.00 0.00 C ATOM 1292 NZ LYS A 83 10.832 -12.695 -10.821 1.00 0.00 N ATOM 0 H LYS A 83 6.633 -8.569 -13.503 1.00 0.00 H new ATOM 0 HA LYS A 83 6.571 -8.134 -10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.807 -8.175 -12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.113 -8.006 -11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.628 -10.191 -10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.989 -10.389 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.500 -9.974 -11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.921 -10.362 -10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.815 -12.461 -11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.982 -12.128 -12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.846 -13.704 -11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.759 -12.273 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.628 -12.595 -9.806 1.00 0.00 H new ATOM 1306 N THR A 84 7.749 -5.791 -10.332 1.00 0.00 N ATOM 1307 CA THR A 84 8.023 -4.367 -10.057 1.00 0.00 C ATOM 1308 C THR A 84 8.963 -3.721 -11.076 1.00 0.00 C ATOM 1309 O THR A 84 8.602 -2.722 -11.677 1.00 0.00 O ATOM 1310 CB THR A 84 8.632 -4.175 -8.666 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.732 -5.042 -8.531 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.669 -4.507 -7.528 1.00 0.00 C ATOM 0 H THR A 84 8.007 -6.406 -9.560 1.00 0.00 H new ATOM 0 HA THR A 84 7.052 -3.877 -10.123 1.00 0.00 H new ATOM 0 HB THR A 84 8.903 -3.122 -8.592 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.132 -4.927 -7.644 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.167 -4.348 -6.572 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.793 -3.861 -7.592 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.358 -5.549 -7.607 1.00 0.00 H new ATOM 1320 N SER A 85 10.158 -4.280 -11.292 1.00 0.00 N ATOM 1321 CA SER A 85 11.122 -3.788 -12.289 1.00 0.00 C ATOM 1322 C SER A 85 10.548 -3.738 -13.702 1.00 0.00 C ATOM 1323 O SER A 85 10.828 -2.812 -14.454 1.00 0.00 O ATOM 1324 CB SER A 85 12.347 -4.700 -12.308 1.00 0.00 C ATOM 1325 OG SER A 85 13.114 -4.469 -11.150 1.00 0.00 O ATOM 0 H SER A 85 10.489 -5.095 -10.776 1.00 0.00 H new ATOM 0 HA SER A 85 11.381 -2.771 -11.994 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.037 -5.744 -12.351 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.945 -4.508 -13.199 1.00 0.00 H new ATOM 0 HG SER A 85 13.901 -5.053 -11.157 1.00 0.00 H new ATOM 1331 N GLN A 86 9.757 -4.748 -14.071 1.00 0.00 N ATOM 1332 CA GLN A 86 9.054 -4.769 -15.345 1.00 0.00 C ATOM 1333 C GLN A 86 7.919 -3.738 -15.425 1.00 0.00 C ATOM 1334 O GLN A 86 7.683 -3.214 -16.511 1.00 0.00 O ATOM 1335 CB GLN A 86 8.549 -6.191 -15.604 1.00 0.00 C ATOM 1336 CG GLN A 86 7.790 -6.268 -16.937 1.00 0.00 C ATOM 1337 CD GLN A 86 7.823 -7.650 -17.559 1.00 0.00 C ATOM 1338 OE1 GLN A 86 8.045 -8.656 -16.909 1.00 0.00 O ATOM 1339 NE2 GLN A 86 7.647 -7.734 -18.858 1.00 0.00 N ATOM 0 H GLN A 86 9.589 -5.571 -13.492 1.00 0.00 H new ATOM 0 HA GLN A 86 9.755 -4.478 -16.128 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.391 -6.883 -15.620 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.895 -6.503 -14.790 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.753 -5.973 -16.776 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.221 -5.551 -17.636 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.461 -6.892 -19.403 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.696 -8.641 -19.322 1.00 0.00 H new ATOM 1348 N GLN A 87 7.232 -3.467 -14.310 1.00 0.00 N ATOM 1349 CA GLN A 87 6.076 -2.581 -14.177 1.00 0.00 C ATOM 1350 C GLN A 87 6.239 -1.272 -14.953 1.00 0.00 C ATOM 1351 O GLN A 87 7.032 -0.393 -14.601 1.00 0.00 O ATOM 1352 CB GLN A 87 5.777 -2.306 -12.691 1.00 0.00 C ATOM 1353 CG GLN A 87 4.323 -1.894 -12.455 1.00 0.00 C ATOM 1354 CD GLN A 87 3.370 -2.996 -12.901 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.811 -2.949 -13.979 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.231 -4.055 -12.141 1.00 0.00 N ATOM 0 H GLN A 87 7.488 -3.891 -13.418 1.00 0.00 H new ATOM 0 HA GLN A 87 5.226 -3.099 -14.621 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.998 -3.200 -12.107 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.438 -1.518 -12.330 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.168 -1.679 -11.398 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.107 -0.976 -13.002 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.699 -4.098 -11.236 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.655 -4.836 -12.455 1.00 0.00 H new ATOM 1365 N LYS A 88 5.475 -1.128 -16.035 1.00 0.00 N ATOM 1366 CA LYS A 88 5.595 0.013 -16.940 1.00 0.00 C ATOM 1367 C LYS A 88 4.655 1.123 -16.495 1.00 0.00 C ATOM 1368 O LYS A 88 3.538 1.238 -16.978 1.00 0.00 O ATOM 1369 CB LYS A 88 5.331 -0.418 -18.390 1.00 0.00 C ATOM 1370 CG LYS A 88 6.309 -1.477 -18.915 1.00 0.00 C ATOM 1371 CD LYS A 88 7.753 -0.957 -18.999 1.00 0.00 C ATOM 1372 CE LYS A 88 8.677 -1.967 -19.685 1.00 0.00 C ATOM 1373 NZ LYS A 88 8.514 -1.940 -21.161 1.00 0.00 N ATOM 0 H LYS A 88 4.756 -1.798 -16.308 1.00 0.00 H new ATOM 0 HA LYS A 88 6.613 0.400 -16.902 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.316 -0.808 -18.463 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.382 0.460 -19.034 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.278 -2.350 -18.263 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.987 -1.806 -19.903 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.770 -0.016 -19.549 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.124 -0.747 -17.996 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.713 -1.746 -19.428 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.463 -2.969 -19.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.154 -2.636 -21.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.531 -2.175 -21.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.742 -0.990 -21.518 1.00 0.00 H new ATOM 1387 N GLY A 89 5.113 1.958 -15.566 1.00 0.00 N ATOM 1388 CA GLY A 89 4.295 3.081 -15.088 1.00 0.00 C ATOM 1389 C GLY A 89 4.896 3.897 -13.952 1.00 0.00 C ATOM 1390 O GLY A 89 4.522 5.044 -13.714 1.00 0.00 O ATOM 0 H GLY A 89 6.033 1.885 -15.131 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.101 3.749 -15.927 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.331 2.691 -14.761 1.00 0.00 H new ATOM 1394 N GLY A 90 5.803 3.283 -13.200 1.00 0.00 N ATOM 1395 CA GLY A 90 6.603 3.944 -12.177 1.00 0.00 C ATOM 1396 C GLY A 90 6.404 3.321 -10.797 1.00 0.00 C ATOM 1397 O GLY A 90 5.280 2.926 -10.469 1.00 0.00 O ATOM 0 H GLY A 90 6.007 2.287 -13.288 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.657 3.889 -12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.339 5.001 -12.138 1.00 0.00 H new ATOM 1401 N PRO A 91 7.438 3.345 -9.945 1.00 0.00 N ATOM 1402 CA PRO A 91 7.375 2.813 -8.594 1.00 0.00 C ATOM 1403 C PRO A 91 6.380 3.599 -7.743 1.00 0.00 C ATOM 1404 O PRO A 91 6.166 4.796 -7.929 1.00 0.00 O ATOM 1405 CB PRO A 91 8.809 2.905 -8.057 1.00 0.00 C ATOM 1406 CG PRO A 91 9.426 4.064 -8.840 1.00 0.00 C ATOM 1407 CD PRO A 91 8.720 3.992 -10.190 1.00 0.00 C ATOM 0 HA PRO A 91 7.018 1.784 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.821 3.097 -6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.356 1.977 -8.221 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.253 5.020 -8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.505 3.950 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.579 4.988 -10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.311 3.424 -10.909 1.00 0.00 H new ATOM 1415 N THR A 92 5.780 2.917 -6.776 1.00 0.00 N ATOM 1416 CA THR A 92 4.856 3.498 -5.802 1.00 0.00 C ATOM 1417 C THR A 92 5.140 2.940 -4.401 1.00 0.00 C ATOM 1418 O THR A 92 5.199 1.717 -4.214 1.00 0.00 O ATOM 1419 CB THR A 92 3.375 3.377 -6.204 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.582 3.488 -5.046 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.039 2.110 -6.973 1.00 0.00 C ATOM 0 H THR A 92 5.925 1.916 -6.641 1.00 0.00 H new ATOM 0 HA THR A 92 5.042 4.572 -5.784 1.00 0.00 H new ATOM 0 HB THR A 92 3.161 4.190 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.636 3.523 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.977 2.104 -7.217 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.623 2.077 -7.893 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.276 1.239 -6.361 1.00 0.00 H new ATOM 1429 N PRO A 93 5.394 3.826 -3.419 1.00 0.00 N ATOM 1430 CA PRO A 93 5.600 3.437 -2.041 1.00 0.00 C ATOM 1431 C PRO A 93 4.301 3.051 -1.356 1.00 0.00 C ATOM 1432 O PRO A 93 4.307 2.138 -0.537 1.00 0.00 O ATOM 1433 CB PRO A 93 6.216 4.664 -1.366 1.00 0.00 C ATOM 1434 CG PRO A 93 5.713 5.835 -2.163 1.00 0.00 C ATOM 1435 CD PRO A 93 5.637 5.249 -3.564 1.00 0.00 C ATOM 0 HA PRO A 93 6.241 2.558 -1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.911 4.736 -0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.305 4.617 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.741 6.181 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.392 6.686 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.837 5.720 -4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.565 5.428 -4.107 1.00 0.00 H new ATOM 1443 N ILE A 94 3.217 3.758 -1.687 1.00 0.00 N ATOM 1444 CA ILE A 94 1.878 3.562 -1.145 1.00 0.00 C ATOM 1445 C ILE A 94 1.361 2.171 -1.506 1.00 0.00 C ATOM 1446 O ILE A 94 1.225 1.837 -2.685 1.00 0.00 O ATOM 1447 CB ILE A 94 0.885 4.648 -1.606 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.376 6.052 -1.226 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.491 4.437 -0.939 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.686 7.168 -1.989 1.00 0.00 C ATOM 0 H ILE A 94 3.255 4.515 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 94 1.954 3.648 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 94 0.805 4.566 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.221 6.205 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.450 6.112 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.181 5.212 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.883 3.458 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.383 4.492 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.085 8.130 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.862 7.041 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.385 7.135 -1.792 1.00 0.00 H new ATOM 1462 N ARG A 95 1.084 1.365 -0.485 1.00 0.00 N ATOM 1463 CA ARG A 95 0.556 0.016 -0.634 1.00 0.00 C ATOM 1464 C ARG A 95 -0.670 -0.159 0.248 1.00 0.00 C ATOM 1465 O ARG A 95 -0.650 0.167 1.430 1.00 0.00 O ATOM 1466 CB ARG A 95 1.649 -1.017 -0.331 1.00 0.00 C ATOM 1467 CG ARG A 95 2.678 -1.121 -1.460 1.00 0.00 C ATOM 1468 CD ARG A 95 3.770 -2.139 -1.121 1.00 0.00 C ATOM 1469 NE ARG A 95 4.452 -2.634 -2.332 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.290 -1.951 -3.088 1.00 0.00 C ATOM 1471 NH1 ARG A 95 5.625 -0.727 -2.783 1.00 0.00 N ATOM 1472 NH2 ARG A 95 5.779 -2.468 -4.183 1.00 0.00 N ATOM 0 H ARG A 95 1.224 1.639 0.488 1.00 0.00 H new ATOM 0 HA ARG A 95 0.241 -0.146 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.155 -0.746 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.190 -1.992 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.179 -1.413 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.129 -0.144 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.500 -1.680 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.330 -2.978 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 95 4.257 -3.595 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.238 -0.285 -1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.274 -0.213 -3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.514 -3.412 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.426 -1.928 -4.757 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.772 -0.619 -0.330 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.967 -0.965 0.445 1.00 0.00 C ATOM 1488 C VAL A 96 -2.703 -2.236 1.241 1.00 0.00 C ATOM 1489 O VAL A 96 -2.079 -3.154 0.717 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.193 -1.123 -0.458 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.111 -2.398 -1.283 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.494 -1.144 0.360 1.00 0.00 C ATOM 0 H VAL A 96 -1.868 -0.763 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.185 -0.151 1.136 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.203 -0.261 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.996 -2.481 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.220 -2.369 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.058 -3.259 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.345 -1.257 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.470 -1.980 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.591 -0.210 0.913 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.184 -2.303 2.475 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.102 -3.467 3.348 1.00 0.00 C ATOM 1504 C VAL A 97 -4.503 -3.979 3.641 1.00 0.00 C ATOM 1505 O VAL A 97 -5.413 -3.236 4.006 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.334 -3.161 4.640 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.211 -4.395 5.542 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.937 -2.609 4.314 1.00 0.00 C ATOM 0 H VAL A 97 -3.662 -1.516 2.913 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.540 -4.247 2.834 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.904 -2.408 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.660 -4.132 6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.206 -4.748 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.679 -5.183 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.404 -2.397 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.380 -3.347 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.035 -1.692 3.733 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.689 -5.281 3.474 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.959 -5.966 3.627 1.00 0.00 C ATOM 1520 C TYR A 98 -5.749 -7.312 4.306 1.00 0.00 C ATOM 1521 O TYR A 98 -4.813 -8.045 4.010 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.663 -6.128 2.277 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.782 -6.447 1.085 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.858 -5.510 0.584 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.893 -7.700 0.474 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.006 -5.850 -0.480 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.097 -8.021 -0.632 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.147 -7.098 -1.104 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.373 -7.415 -2.160 1.00 0.00 O ATOM 0 H TYR A 98 -3.928 -5.911 3.218 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.607 -5.360 4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.406 -6.920 2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.205 -5.207 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.804 -4.524 1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.597 -8.424 0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.249 -5.156 -0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.212 -8.976 -1.122 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.598 -8.316 -2.472 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.638 -7.636 5.240 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.592 -8.909 5.947 1.00 0.00 C ATOM 1541 C ALA A 99 -7.356 -9.991 5.184 1.00 0.00 C ATOM 1542 O ALA A 99 -8.302 -9.695 4.453 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.119 -8.718 7.369 1.00 0.00 C ATOM 0 H ALA A 99 -7.405 -7.027 5.526 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.559 -9.252 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.086 -9.669 7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.500 -7.989 7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.148 -8.360 7.331 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.970 -11.245 5.405 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.659 -12.420 4.897 1.00 0.00 C ATOM 1551 C ASN A 100 -8.919 -12.714 5.738 1.00 0.00 C ATOM 1552 O ASN A 100 -8.916 -13.578 6.609 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.645 -13.581 4.855 1.00 0.00 C ATOM 1554 CG ASN A 100 -7.284 -14.939 4.658 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -7.042 -15.880 5.383 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -8.113 -15.104 3.658 1.00 0.00 N ATOM 0 H ASN A 100 -6.145 -11.474 5.959 1.00 0.00 H new ATOM 0 HA ASN A 100 -8.027 -12.262 3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.935 -13.403 4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.076 -13.588 5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.545 -16.014 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.327 -14.322 3.039 1.00 0.00 H new ATOM 1563 N SER A 101 -10.012 -11.990 5.495 1.00 0.00 N ATOM 1564 CA SER A 101 -11.289 -12.242 6.168 1.00 0.00 C ATOM 1565 C SER A 101 -12.203 -13.099 5.289 1.00 0.00 C ATOM 1566 O SER A 101 -12.932 -12.573 4.447 1.00 0.00 O ATOM 1567 CB SER A 101 -11.944 -10.930 6.621 1.00 0.00 C ATOM 1568 OG SER A 101 -12.311 -10.097 5.541 1.00 0.00 O ATOM 0 H SER A 101 -10.039 -11.217 4.830 1.00 0.00 H new ATOM 0 HA SER A 101 -11.102 -12.816 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.829 -11.158 7.215 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.255 -10.391 7.271 1.00 0.00 H new ATOM 0 HG SER A 101 -12.704 -10.641 4.827 1.00 0.00 H new ATOM 1574 N ARG A 102 -12.167 -14.434 5.463 1.00 0.00 N ATOM 1575 CA ARG A 102 -12.974 -15.383 4.653 1.00 0.00 C ATOM 1576 C ARG A 102 -12.759 -15.181 3.142 1.00 0.00 C ATOM 1577 O ARG A 102 -13.708 -15.196 2.363 1.00 0.00 O ATOM 1578 CB ARG A 102 -14.467 -15.250 5.035 1.00 0.00 C ATOM 1579 CG ARG A 102 -14.778 -15.784 6.435 1.00 0.00 C ATOM 1580 CD ARG A 102 -16.188 -15.362 6.864 1.00 0.00 C ATOM 1581 NE ARG A 102 -17.234 -16.288 6.373 1.00 0.00 N ATOM 1582 CZ ARG A 102 -18.273 -16.732 7.060 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -18.484 -16.363 8.292 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -19.130 -17.554 6.525 1.00 0.00 N ATOM 0 H ARG A 102 -11.582 -14.889 6.164 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.640 -16.396 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.758 -14.201 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -15.072 -15.788 4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.698 -16.871 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.045 -15.405 7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.233 -15.313 7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -16.392 -14.358 6.491 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.144 -16.615 5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -17.840 -15.717 8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -19.293 -16.720 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -19.005 -17.865 5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -19.926 -17.887 7.069 1.00 0.00 H new ATOM 1598 N GLY A 103 -11.520 -14.929 2.727 1.00 0.00 N ATOM 1599 CA GLY A 103 -11.181 -14.653 1.327 1.00 0.00 C ATOM 1600 C GLY A 103 -11.412 -13.197 0.904 1.00 0.00 C ATOM 1601 O GLY A 103 -10.617 -12.638 0.147 1.00 0.00 O ATOM 0 H GLY A 103 -10.716 -14.910 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.134 -14.907 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.773 -15.305 0.685 1.00 0.00 H new ATOM 1605 N ALA A 104 -12.484 -12.564 1.387 1.00 0.00 N ATOM 1606 CA ALA A 104 -12.683 -11.138 1.183 1.00 0.00 C ATOM 1607 C ALA A 104 -11.608 -10.310 1.907 1.00 0.00 C ATOM 1608 O ALA A 104 -10.925 -10.769 2.826 1.00 0.00 O ATOM 1609 CB ALA A 104 -14.113 -10.756 1.591 1.00 0.00 C ATOM 0 H ALA A 104 -13.223 -13.021 1.921 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.568 -10.904 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.262 -9.687 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.826 -11.312 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -14.268 -10.997 2.643 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.484 -9.063 1.461 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.587 -8.077 2.044 1.00 0.00 C ATOM 1617 C VAL A 105 -11.367 -7.208 3.015 1.00 0.00 C ATOM 1618 O VAL A 105 -12.494 -6.818 2.724 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.904 -7.233 0.950 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.178 -8.157 -0.035 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -10.797 -6.291 0.138 1.00 0.00 C ATOM 0 H VAL A 105 -12.016 -8.705 0.668 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.793 -8.588 2.589 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.233 -6.584 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.696 -7.558 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.424 -8.737 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.897 -8.834 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.192 -5.758 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.564 -6.870 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.272 -5.573 0.807 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.740 -6.858 4.133 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.328 -5.937 5.115 1.00 0.00 C ATOM 1633 C GLN A 106 -10.782 -4.514 5.004 1.00 0.00 C ATOM 1634 O GLN A 106 -11.042 -3.724 5.901 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.178 -6.501 6.538 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.738 -6.456 7.065 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.594 -7.037 8.472 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.147 -8.055 8.856 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -8.730 -6.474 9.282 1.00 0.00 N ATOM 0 H GLN A 106 -9.814 -7.200 4.389 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.391 -5.859 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.822 -5.937 7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.529 -7.533 6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.091 -7.007 6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.391 -5.423 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.246 -5.622 8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.542 -6.888 10.195 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.996 -4.206 3.961 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.294 -2.922 3.809 1.00 0.00 C ATOM 1650 C TYR A 107 -8.690 -2.462 5.153 1.00 0.00 C ATOM 1651 O TYR A 107 -9.057 -1.441 5.717 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.275 -1.910 3.201 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.744 -0.489 3.135 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.715 -0.154 2.239 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.235 0.482 4.035 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -8.210 1.153 2.234 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.693 1.780 4.058 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.671 2.118 3.151 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.191 3.387 3.088 1.00 0.00 O ATOM 0 H TYR A 107 -9.828 -4.851 3.189 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.445 -3.021 3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.537 -2.235 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.194 -1.915 3.787 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.318 -0.896 1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.035 0.225 4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -7.453 1.426 1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.058 2.510 4.765 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.610 3.930 3.788 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.776 -3.263 5.711 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.110 -2.925 6.976 1.00 0.00 C ATOM 1671 C CYS A 108 -6.611 -1.464 7.024 1.00 0.00 C ATOM 1672 O CYS A 108 -6.713 -0.795 8.052 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.939 -3.888 7.182 1.00 0.00 C ATOM 1674 SG CYS A 108 -4.986 -3.512 8.658 1.00 0.00 S ATOM 0 H CYS A 108 -7.479 -4.151 5.307 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.842 -3.025 7.778 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.319 -4.907 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.284 -3.849 6.312 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.105 -0.990 5.890 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.794 0.405 5.642 1.00 0.00 C ATOM 1681 C GLY A 109 -4.690 0.523 4.607 1.00 0.00 C ATOM 1682 O GLY A 109 -4.001 -0.434 4.284 1.00 0.00 O ATOM 0 H GLY A 109 -5.895 -1.591 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.685 0.927 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.485 0.886 6.570 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.486 1.711 4.069 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.365 1.974 3.156 1.00 0.00 C ATOM 1688 C VAL A 110 -2.184 2.522 3.947 1.00 0.00 C ATOM 1689 O VAL A 110 -2.376 3.247 4.921 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.777 2.928 2.023 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.964 2.697 0.743 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -5.233 2.723 1.644 1.00 0.00 C ATOM 0 H VAL A 110 -5.081 2.521 4.244 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.066 1.038 2.684 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.599 3.932 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.292 3.395 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.906 2.857 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.115 1.675 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.500 3.410 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.381 1.697 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.865 2.916 2.511 1.00 0.00 H new ATOM 1702 N MET A 111 -0.964 2.183 3.538 1.00 0.00 N ATOM 1703 CA MET A 111 0.278 2.724 4.092 1.00 0.00 C ATOM 1704 C MET A 111 1.139 3.326 2.993 1.00 0.00 C ATOM 1705 O MET A 111 0.879 3.130 1.809 1.00 0.00 O ATOM 1706 CB MET A 111 1.052 1.638 4.857 1.00 0.00 C ATOM 1707 CG MET A 111 1.554 0.531 3.921 1.00 0.00 C ATOM 1708 SD MET A 111 2.066 -0.984 4.755 1.00 0.00 S ATOM 1709 CE MET A 111 2.350 -2.134 3.387 1.00 0.00 C ATOM 0 H MET A 111 -0.806 1.506 2.792 1.00 0.00 H new ATOM 0 HA MET A 111 0.020 3.516 4.795 1.00 0.00 H new ATOM 0 HB2 MET A 111 1.899 2.090 5.373 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.408 1.203 5.622 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.764 0.289 3.210 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.396 0.915 3.345 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.899 -3.098 3.622 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.901 -1.735 2.477 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.422 -2.262 3.236 1.00 0.00 H new ATOM 1719 N THR A 112 2.200 4.025 3.370 1.00 0.00 N ATOM 1720 CA THR A 112 3.190 4.630 2.501 1.00 0.00 C ATOM 1721 C THR A 112 4.547 4.727 3.173 1.00 0.00 C ATOM 1722 O THR A 112 4.675 4.833 4.384 1.00 0.00 O ATOM 1723 CB THR A 112 2.730 6.019 2.064 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.510 6.368 0.947 1.00 0.00 O ATOM 1725 CG2 THR A 112 2.846 7.142 3.082 1.00 0.00 C ATOM 0 H THR A 112 2.402 4.193 4.356 1.00 0.00 H new ATOM 0 HA THR A 112 3.294 3.987 1.627 1.00 0.00 H new ATOM 0 HB THR A 112 1.660 5.930 1.878 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.620 7.341 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.485 8.071 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.247 6.900 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.889 7.260 3.376 1.00 0.00 H new ATOM 1733 N HIS A 113 5.597 4.683 2.371 1.00 0.00 N ATOM 1734 CA HIS A 113 6.941 4.881 2.894 1.00 0.00 C ATOM 1735 C HIS A 113 7.108 6.329 3.331 1.00 0.00 C ATOM 1736 O HIS A 113 6.656 7.245 2.643 1.00 0.00 O ATOM 1737 CB HIS A 113 7.972 4.535 1.828 1.00 0.00 C ATOM 1738 CG HIS A 113 7.727 3.206 1.169 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.161 2.857 -0.087 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.045 2.148 1.683 1.00 0.00 C ATOM 1741 CE1 HIS A 113 7.775 1.594 -0.339 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.053 1.174 0.711 1.00 0.00 N ATOM 0 H HIS A 113 5.549 4.514 1.366 1.00 0.00 H new ATOM 0 HA HIS A 113 7.093 4.227 3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 113 7.972 5.315 1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 113 8.964 4.531 2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.588 2.085 2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.004 1.022 -1.226 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.582 0.272 0.778 1.00 0.00 H new ATOM 1751 N SER A 114 7.870 6.524 4.394 1.00 0.00 N ATOM 1752 CA SER A 114 8.249 7.859 4.842 1.00 0.00 C ATOM 1753 C SER A 114 9.283 8.463 3.905 1.00 0.00 C ATOM 1754 O SER A 114 9.111 9.595 3.500 1.00 0.00 O ATOM 1755 CB SER A 114 8.795 7.808 6.260 1.00 0.00 C ATOM 1756 OG SER A 114 9.843 6.875 6.294 1.00 0.00 O ATOM 0 H SER A 114 8.243 5.769 4.969 1.00 0.00 H new ATOM 0 HA SER A 114 7.359 8.489 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.152 8.792 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.009 7.523 6.960 1.00 0.00 H new ATOM 0 HG SER A 114 9.893 6.471 7.186 1.00 0.00 H new ATOM 1762 N LYS A 115 10.332 7.731 3.500 1.00 0.00 N ATOM 1763 CA LYS A 115 11.451 8.253 2.695 1.00 0.00 C ATOM 1764 C LYS A 115 11.081 8.410 1.216 1.00 0.00 C ATOM 1765 O LYS A 115 11.325 7.500 0.416 1.00 0.00 O ATOM 1766 CB LYS A 115 12.697 7.368 2.911 1.00 0.00 C ATOM 1767 CG LYS A 115 14.021 8.113 2.661 1.00 0.00 C ATOM 1768 CD LYS A 115 14.379 8.289 1.176 1.00 0.00 C ATOM 1769 CE LYS A 115 15.838 8.750 1.038 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.119 9.315 -0.309 1.00 0.00 N ATOM 0 H LYS A 115 10.430 6.741 3.726 1.00 0.00 H new ATOM 0 HA LYS A 115 11.687 9.261 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.690 6.985 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.642 6.506 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.964 9.096 3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.828 7.572 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.234 7.348 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.713 9.020 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.054 9.501 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.504 7.907 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.084 9.058 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.438 8.932 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.032 10.351 -0.276 1.00 0.00 H new ATOM 1784 N VAL A 116 10.557 9.575 0.834 1.00 0.00 N ATOM 1785 CA VAL A 116 10.088 9.852 -0.532 1.00 0.00 C ATOM 1786 C VAL A 116 10.625 11.172 -1.093 1.00 0.00 C ATOM 1787 O VAL A 116 9.865 12.056 -1.455 1.00 0.00 O ATOM 1788 CB VAL A 116 8.549 9.781 -0.628 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.024 8.362 -0.366 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.839 10.738 0.332 1.00 0.00 C ATOM 0 H VAL A 116 10.443 10.365 1.469 1.00 0.00 H new ATOM 0 HA VAL A 116 10.500 9.063 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 116 8.322 10.081 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.937 8.356 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.444 7.677 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.318 8.044 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.760 10.638 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.116 10.496 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.135 11.763 0.109 1.00 0.00 H new ATOM 1800 N ASP A 117 11.943 11.260 -1.255 1.00 0.00 N ATOM 1801 CA ASP A 117 12.657 12.394 -1.841 1.00 0.00 C ATOM 1802 C ASP A 117 12.091 12.800 -3.213 1.00 0.00 C ATOM 1803 O ASP A 117 11.393 13.788 -3.380 1.00 0.00 O ATOM 1804 CB ASP A 117 14.163 12.057 -1.905 1.00 0.00 C ATOM 1805 CG ASP A 117 14.560 10.669 -2.465 1.00 0.00 C ATOM 1806 OD1 ASP A 117 13.931 9.634 -2.132 1.00 0.00 O ATOM 1807 OD2 ASP A 117 15.647 10.520 -3.049 1.00 0.00 O ATOM 0 H ASP A 117 12.572 10.509 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 117 12.515 13.267 -1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.653 12.818 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.570 12.143 -0.898 1.00 0.00 H new ATOM 1812 N LYS A 118 12.369 11.991 -4.227 1.00 0.00 N ATOM 1813 CA LYS A 118 11.875 12.203 -5.589 1.00 0.00 C ATOM 1814 C LYS A 118 11.375 10.919 -6.199 1.00 0.00 C ATOM 1815 O LYS A 118 10.343 10.886 -6.844 1.00 0.00 O ATOM 1816 CB LYS A 118 12.995 12.871 -6.393 1.00 0.00 C ATOM 1817 CG LYS A 118 12.843 12.769 -7.923 1.00 0.00 C ATOM 1818 CD LYS A 118 13.429 11.459 -8.473 1.00 0.00 C ATOM 1819 CE LYS A 118 13.661 11.512 -9.977 1.00 0.00 C ATOM 1820 NZ LYS A 118 14.515 10.378 -10.399 1.00 0.00 N ATOM 0 H LYS A 118 12.950 11.158 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 118 11.008 12.863 -5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.043 13.924 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.946 12.422 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 118 11.788 12.833 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.342 13.616 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 118 14.373 11.247 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 118 12.753 10.636 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 118 12.706 11.474 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 118 14.136 12.455 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 14.612 10.383 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 15.454 10.470 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 14.079 9.484 -10.097 1.00 0.00 H new ATOM 1834 N ASN A 119 12.132 9.843 -5.992 1.00 0.00 N ATOM 1835 CA ASN A 119 11.777 8.536 -6.534 1.00 0.00 C ATOM 1836 C ASN A 119 10.749 7.817 -5.662 1.00 0.00 C ATOM 1837 O ASN A 119 10.475 6.644 -5.909 1.00 0.00 O ATOM 1838 CB ASN A 119 13.047 7.691 -6.690 1.00 0.00 C ATOM 1839 CG ASN A 119 13.877 8.042 -7.903 1.00 0.00 C ATOM 1840 OD1 ASN A 119 13.389 8.286 -8.990 1.00 0.00 O ATOM 1841 ND2 ASN A 119 15.180 8.080 -7.771 1.00 0.00 N ATOM 0 H ASN A 119 12.997 9.852 -5.451 1.00 0.00 H new ATOM 0 HA ASN A 119 11.314 8.682 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.661 7.809 -5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.766 6.639 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 119 15.767 8.311 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.607 7.878 -6.867 1.00 0.00 H new ATOM 1848 N ASN A 120 10.229 8.477 -4.612 1.00 0.00 N ATOM 1849 CA ASN A 120 9.228 7.920 -3.708 1.00 0.00 C ATOM 1850 C ASN A 120 9.568 6.470 -3.301 1.00 0.00 C ATOM 1851 O ASN A 120 8.735 5.567 -3.340 1.00 0.00 O ATOM 1852 CB ASN A 120 7.816 8.171 -4.282 1.00 0.00 C ATOM 1853 CG ASN A 120 7.713 8.059 -5.787 1.00 0.00 C ATOM 1854 OD1 ASN A 120 7.854 9.018 -6.516 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.463 6.889 -6.309 1.00 0.00 N ATOM 0 H ASN A 120 10.503 9.429 -4.370 1.00 0.00 H new ATOM 0 HA ASN A 120 9.238 8.440 -2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.124 7.460 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.489 9.167 -3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.388 6.788 -7.321 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.343 6.076 -5.705 1.00 0.00 H new ATOM 1862 N GLN A 121 10.849 6.230 -2.998 1.00 0.00 N ATOM 1863 CA GLN A 121 11.353 4.899 -2.665 1.00 0.00 C ATOM 1864 C GLN A 121 10.810 4.422 -1.309 1.00 0.00 C ATOM 1865 O GLN A 121 9.911 5.016 -0.720 1.00 0.00 O ATOM 1866 CB GLN A 121 12.888 4.901 -2.705 1.00 0.00 C ATOM 1867 CG GLN A 121 13.432 5.013 -4.130 1.00 0.00 C ATOM 1868 CD GLN A 121 14.941 5.156 -4.089 1.00 0.00 C ATOM 1869 OE1 GLN A 121 15.693 4.341 -4.573 1.00 0.00 O ATOM 1870 NE2 GLN A 121 15.483 6.182 -3.470 1.00 0.00 N ATOM 0 H GLN A 121 11.564 6.957 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 121 10.996 4.187 -3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.264 5.733 -2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.262 3.986 -2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 121 13.156 4.130 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.989 5.873 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 121 14.888 6.894 -3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 121 16.498 6.265 -3.413 1.00 0.00 H new ATOM 1879 N GLY A 122 11.304 3.292 -0.815 1.00 0.00 N ATOM 1880 CA GLY A 122 10.981 2.782 0.516 1.00 0.00 C ATOM 1881 C GLY A 122 12.218 2.354 1.247 1.00 0.00 C ATOM 1882 O GLY A 122 12.860 1.410 0.803 1.00 0.00 O ATOM 0 H GLY A 122 11.949 2.695 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.465 3.553 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.296 1.938 0.429 1.00 0.00 H new ATOM 1886 N LYS A 123 12.573 3.111 2.285 1.00 0.00 N ATOM 1887 CA LYS A 123 13.715 2.784 3.137 1.00 0.00 C ATOM 1888 C LYS A 123 13.302 2.493 4.568 1.00 0.00 C ATOM 1889 O LYS A 123 13.395 1.355 5.002 1.00 0.00 O ATOM 1890 CB LYS A 123 14.789 3.874 3.087 1.00 0.00 C ATOM 1891 CG LYS A 123 15.189 4.223 1.648 1.00 0.00 C ATOM 1892 CD LYS A 123 16.653 4.670 1.601 1.00 0.00 C ATOM 1893 CE LYS A 123 17.271 4.377 0.232 1.00 0.00 C ATOM 1894 NZ LYS A 123 16.912 5.391 -0.783 1.00 0.00 N ATOM 0 H LYS A 123 12.081 3.962 2.557 1.00 0.00 H new ATOM 0 HA LYS A 123 14.148 1.869 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.420 4.769 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.669 3.541 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.044 3.357 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.546 5.016 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.718 5.737 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.219 4.156 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.356 4.334 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.942 3.395 -0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 17.356 5.146 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.879 5.416 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 17.249 6.325 -0.474 1.00 0.00 H new ATOM 1908 N GLU A 124 12.885 3.540 5.268 1.00 0.00 N ATOM 1909 CA GLU A 124 12.353 3.434 6.617 1.00 0.00 C ATOM 1910 C GLU A 124 11.034 2.650 6.614 1.00 0.00 C ATOM 1911 O GLU A 124 10.462 2.367 5.555 1.00 0.00 O ATOM 1912 CB GLU A 124 12.147 4.856 7.155 1.00 0.00 C ATOM 1913 CG GLU A 124 13.444 5.573 7.527 1.00 0.00 C ATOM 1914 CD GLU A 124 14.087 4.935 8.756 1.00 0.00 C ATOM 1915 OE1 GLU A 124 14.876 3.989 8.546 1.00 0.00 O ATOM 1916 OE2 GLU A 124 13.747 5.377 9.872 1.00 0.00 O ATOM 0 H GLU A 124 12.907 4.495 4.910 1.00 0.00 H new ATOM 0 HA GLU A 124 13.048 2.893 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.621 5.445 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.503 4.811 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.138 5.535 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.239 6.625 7.724 1.00 0.00 H new ATOM 1923 N PHE A 125 10.530 2.368 7.816 1.00 0.00 N ATOM 1924 CA PHE A 125 9.244 1.719 8.043 1.00 0.00 C ATOM 1925 C PHE A 125 8.087 2.364 7.265 1.00 0.00 C ATOM 1926 O PHE A 125 8.139 3.509 6.787 1.00 0.00 O ATOM 1927 CB PHE A 125 8.920 1.722 9.542 1.00 0.00 C ATOM 1928 CG PHE A 125 8.372 3.041 10.061 1.00 0.00 C ATOM 1929 CD1 PHE A 125 9.165 4.204 10.045 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.035 3.120 10.495 1.00 0.00 C ATOM 1931 CE1 PHE A 125 8.629 5.431 10.463 1.00 0.00 C ATOM 1932 CE2 PHE A 125 6.517 4.337 10.969 1.00 0.00 C ATOM 1933 CZ PHE A 125 7.318 5.490 10.959 1.00 0.00 C ATOM 0 H PHE A 125 11.021 2.592 8.681 1.00 0.00 H new ATOM 0 HA PHE A 125 9.341 0.699 7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.194 0.935 9.746 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.824 1.474 10.098 1.00 0.00 H new ATOM 0 HD1 PHE A 125 10.190 4.151 9.710 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.406 2.243 10.463 1.00 0.00 H new ATOM 0 HE1 PHE A 125 9.225 6.330 10.403 1.00 0.00 H new ATOM 0 HE2 PHE A 125 5.504 4.385 11.341 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.924 6.423 11.334 1.00 0.00 H new ATOM 1943 N PHE A 126 7.001 1.609 7.178 1.00 0.00 N ATOM 1944 CA PHE A 126 5.845 2.000 6.398 1.00 0.00 C ATOM 1945 C PHE A 126 4.884 2.776 7.298 1.00 0.00 C ATOM 1946 O PHE A 126 4.315 2.276 8.267 1.00 0.00 O ATOM 1947 CB PHE A 126 5.235 0.761 5.749 1.00 0.00 C ATOM 1948 CG PHE A 126 5.993 0.178 4.568 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.369 -0.111 4.648 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.297 -0.183 3.401 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.042 -0.709 3.576 1.00 0.00 C ATOM 1952 CE2 PHE A 126 5.945 -0.874 2.364 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.329 -1.127 2.444 1.00 0.00 C ATOM 0 H PHE A 126 6.901 0.709 7.648 1.00 0.00 H new ATOM 0 HA PHE A 126 6.113 2.669 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.140 -0.013 6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.226 1.009 5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 126 7.913 0.132 5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.253 0.074 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.112 -0.848 3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.383 -1.211 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 126 7.836 -1.639 1.640 1.00 0.00 H new ATOM 1963 N GLU A 127 4.705 4.050 7.001 1.00 0.00 N ATOM 1964 CA GLU A 127 3.778 4.907 7.713 1.00 0.00 C ATOM 1965 C GLU A 127 2.389 4.775 7.101 1.00 0.00 C ATOM 1966 O GLU A 127 2.210 4.907 5.898 1.00 0.00 O ATOM 1967 CB GLU A 127 4.242 6.367 7.680 1.00 0.00 C ATOM 1968 CG GLU A 127 5.736 6.500 7.972 1.00 0.00 C ATOM 1969 CD GLU A 127 6.042 7.922 8.445 1.00 0.00 C ATOM 1970 OE1 GLU A 127 6.178 8.785 7.550 1.00 0.00 O ATOM 1971 OE2 GLU A 127 6.091 8.138 9.681 1.00 0.00 O ATOM 0 H GLU A 127 5.206 4.523 6.249 1.00 0.00 H new ATOM 0 HA GLU A 127 3.743 4.593 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.025 6.794 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.677 6.944 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.033 5.780 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.314 6.272 7.076 1.00 0.00 H new ATOM 1978 N LYS A 128 1.376 4.491 7.911 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.025 4.446 7.483 1.00 0.00 C ATOM 1980 C LYS A 128 -0.423 5.728 6.739 1.00 0.00 C ATOM 1981 O LYS A 128 0.234 6.765 6.849 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.969 4.236 8.672 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.364 3.463 9.847 1.00 0.00 C ATOM 1984 CD LYS A 128 0.294 4.405 10.874 1.00 0.00 C ATOM 1985 CE LYS A 128 -0.778 5.177 11.651 1.00 0.00 C ATOM 1986 NZ LYS A 128 -1.258 4.404 12.809 1.00 0.00 N ATOM 0 H LYS A 128 1.503 4.281 8.901 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.119 3.598 6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.301 5.210 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.855 3.705 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.143 2.878 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.378 2.757 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.909 3.828 11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 128 0.957 5.104 10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.370 6.129 11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.615 5.406 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -2.295 4.466 12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -0.975 3.409 12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.843 4.791 13.681 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.551 5.670 6.058 1.00 0.00 N ATOM 2001 CA CYS A 129 -2.102 6.795 5.333 1.00 0.00 C ATOM 2002 C CYS A 129 -3.308 7.349 6.101 1.00 0.00 C ATOM 2003 O CYS A 129 -3.958 6.571 6.809 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.441 6.260 3.948 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.546 7.500 2.674 1.00 0.00 S ATOM 0 H CYS A 129 -2.119 4.825 5.993 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.414 7.635 5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.686 5.528 3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.393 5.732 4.001 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.544 8.660 5.987 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.676 9.348 6.625 1.00 0.00 C ATOM 2012 C ASP A 130 -5.684 9.845 5.594 1.00 0.00 C ATOM 2013 O ASP A 130 -5.469 10.910 4.966 1.00 0.00 O ATOM 2014 CB ASP A 130 -4.200 10.406 7.641 1.00 0.00 C ATOM 2015 CG ASP A 130 -5.292 10.738 8.681 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -5.347 9.990 9.694 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -6.015 11.748 8.523 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.594 9.028 5.345 1.00 0.00 O ATOM 0 H ASP A 130 -2.948 9.283 5.442 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.231 8.626 7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.309 10.042 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -3.914 11.315 7.112 1.00 0.00 H new