USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 899 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 69 ASN : amide:sc= 0.966! K(o=0.94!,f=-1.3) USER MOD Set 1.2: A 91 MET CE :methyl -161:sc= -0.0244 (180deg=-0.183) USER MOD Set 2.1: A 44 CYS SG : rot 65:sc= -0.059 USER MOD Set 2.2: A 68 ASN : amide:sc= -1.12! C(o=-1.2!,f=-5!) USER MOD Set 3.1: A 25 TYR OH : rot 97:sc= -2.33 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -4.7! C(o=-7!,f=-8.4!) USER MOD Set 4.1: A 11 SER OG : rot -161:sc= 0.00303 USER MOD Set 4.2: A 19 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.63) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc= 0.854 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -151:sc= 1.19 USER MOD Single : A 21 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.31) USER MOD Single : A 22 THR OG1 : rot -68:sc= 1.06 USER MOD Single : A 29 ASN : amide:sc= -0.957 K(o=-0.96,f=-4.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00185 USER MOD Single : A 34 THR OG1 : rot -86:sc= 0.444 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -50:sc= 0.553 USER MOD Single : A 38 LYS NZ :NH3+ -128:sc= -1.15 (180deg=-3.41!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.128 USER MOD Single : A 50 TYR OH : rot 36:sc= 0.954 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.0049 X(o=0.0049,f=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.288 F(o=-1,f=-0.29) USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= -0.0377 (180deg=-0.827) USER MOD Single : A 70 GLN : amide:sc= -4.05! C(o=-4!,f=-3.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -164:sc= -0.0733 (180deg=-0.463) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0638) USER MOD Single : A 93 SER OG : rot 78:sc= 0.972 USER MOD Single : A 99 LYS NZ :NH3+ -125:sc= 0.0567 (180deg=-0.137) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -171:sc= -0.154 (180deg=-0.28) USER MOD Single : A 104 MET CE :methyl -109:sc= 0 (180deg=-0.56) USER MOD Single : A 105 TYR OH : rot -114:sc= 0.105 USER MOD Single : A 107 THR OG1 : rot 67:sc= 0.739 USER MOD Single : A 108 GLN : amide:sc= -3.3! C(o=-3.3!,f=-2.9!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 163:sc= -0.0126 (180deg=-0.231) USER MOD Single : A 114 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0225) USER MOD Single : A 116 SER OG : rot -142:sc= 0.00253 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.382 -18.027 -11.323 1.00 0.00 N ATOM 2 CA GLY A 1 25.574 -16.828 -11.441 1.00 0.00 C ATOM 3 C GLY A 1 24.697 -16.839 -12.678 1.00 0.00 C ATOM 4 O GLY A 1 25.168 -16.570 -13.783 1.00 0.00 O ATOM 0 H1 GLY A 1 26.963 -17.971 -10.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.761 -18.860 -11.268 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.002 -18.111 -12.154 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.946 -16.728 -10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.226 -15.955 -11.470 1.00 0.00 H new ATOM 8 N SER A 2 23.419 -17.154 -12.492 1.00 0.00 N ATOM 9 CA SER A 2 22.476 -17.205 -13.603 1.00 0.00 C ATOM 10 C SER A 2 21.475 -16.057 -13.518 1.00 0.00 C ATOM 11 O SER A 2 20.658 -15.996 -12.599 1.00 0.00 O ATOM 12 CB SER A 2 21.734 -18.543 -13.609 1.00 0.00 C ATOM 13 OG SER A 2 22.609 -19.609 -13.934 1.00 0.00 O ATOM 0 H SER A 2 23.013 -17.378 -11.583 1.00 0.00 H new ATOM 0 HA SER A 2 23.040 -17.106 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.288 -18.720 -12.630 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.917 -18.506 -14.330 1.00 0.00 H new ATOM 0 HG SER A 2 22.112 -20.453 -13.930 1.00 0.00 H new ATOM 19 N SER A 3 21.544 -15.147 -14.485 1.00 0.00 N ATOM 20 CA SER A 3 20.648 -13.998 -14.519 1.00 0.00 C ATOM 21 C SER A 3 19.543 -14.201 -15.551 1.00 0.00 C ATOM 22 O SER A 3 19.661 -13.770 -16.697 1.00 0.00 O ATOM 23 CB SER A 3 21.430 -12.722 -14.838 1.00 0.00 C ATOM 24 OG SER A 3 20.585 -11.586 -14.816 1.00 0.00 O ATOM 0 H SER A 3 22.212 -15.184 -15.255 1.00 0.00 H new ATOM 0 HA SER A 3 20.190 -13.898 -13.535 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.235 -12.594 -14.114 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.896 -12.813 -15.819 1.00 0.00 H new ATOM 0 HG SER A 3 21.110 -10.784 -15.021 1.00 0.00 H new ATOM 30 N GLY A 4 18.467 -14.863 -15.135 1.00 0.00 N ATOM 31 CA GLY A 4 17.356 -15.113 -16.035 1.00 0.00 C ATOM 32 C GLY A 4 17.094 -16.592 -16.234 1.00 0.00 C ATOM 33 O GLY A 4 17.457 -17.161 -17.264 1.00 0.00 O ATOM 0 H GLY A 4 18.345 -15.230 -14.191 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.458 -14.638 -15.640 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.563 -14.651 -17.000 1.00 0.00 H new ATOM 37 N SER A 5 16.462 -17.219 -15.246 1.00 0.00 N ATOM 38 CA SER A 5 16.157 -18.643 -15.316 1.00 0.00 C ATOM 39 C SER A 5 14.676 -18.894 -15.047 1.00 0.00 C ATOM 40 O SER A 5 14.189 -18.677 -13.938 1.00 0.00 O ATOM 41 CB SER A 5 17.008 -19.419 -14.309 1.00 0.00 C ATOM 42 OG SER A 5 16.586 -20.768 -14.217 1.00 0.00 O ATOM 0 H SER A 5 16.152 -16.763 -14.388 1.00 0.00 H new ATOM 0 HA SER A 5 16.391 -18.991 -16.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.055 -19.382 -14.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.940 -18.946 -13.329 1.00 0.00 H new ATOM 0 HG SER A 5 17.147 -21.243 -13.568 1.00 0.00 H new ATOM 48 N SER A 6 13.965 -19.353 -16.072 1.00 0.00 N ATOM 49 CA SER A 6 12.539 -19.631 -15.949 1.00 0.00 C ATOM 50 C SER A 6 12.228 -20.299 -14.613 1.00 0.00 C ATOM 51 O SER A 6 12.676 -21.413 -14.344 1.00 0.00 O ATOM 52 CB SER A 6 12.071 -20.525 -17.100 1.00 0.00 C ATOM 53 OG SER A 6 12.642 -21.818 -17.006 1.00 0.00 O ATOM 0 H SER A 6 14.353 -19.540 -16.997 1.00 0.00 H new ATOM 0 HA SER A 6 12.004 -18.682 -15.994 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.984 -20.602 -17.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.346 -20.071 -18.052 1.00 0.00 H new ATOM 0 HG SER A 6 12.885 -22.001 -16.075 1.00 0.00 H new ATOM 59 N GLY A 7 11.458 -19.608 -13.778 1.00 0.00 N ATOM 60 CA GLY A 7 11.100 -20.149 -12.480 1.00 0.00 C ATOM 61 C GLY A 7 11.817 -19.448 -11.343 1.00 0.00 C ATOM 62 O GLY A 7 12.471 -18.425 -11.547 1.00 0.00 O ATOM 0 H GLY A 7 11.076 -18.684 -13.977 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.023 -20.059 -12.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.338 -21.212 -12.455 1.00 0.00 H new ATOM 66 N VAL A 8 11.695 -20.000 -10.139 1.00 0.00 N ATOM 67 CA VAL A 8 12.337 -19.421 -8.965 1.00 0.00 C ATOM 68 C VAL A 8 12.065 -17.924 -8.871 1.00 0.00 C ATOM 69 O VAL A 8 12.950 -17.142 -8.525 1.00 0.00 O ATOM 70 CB VAL A 8 13.859 -19.655 -8.984 1.00 0.00 C ATOM 71 CG1 VAL A 8 14.493 -19.153 -7.696 1.00 0.00 C ATOM 72 CG2 VAL A 8 14.168 -21.129 -9.202 1.00 0.00 C ATOM 0 H VAL A 8 11.158 -20.847 -9.952 1.00 0.00 H new ATOM 0 HA VAL A 8 11.911 -19.920 -8.094 1.00 0.00 H new ATOM 0 HB VAL A 8 14.286 -19.091 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.569 -19.327 -7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.301 -18.085 -7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.064 -19.686 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.248 -21.277 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.730 -21.716 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.748 -21.452 -10.155 1.00 0.00 H new ATOM 82 N ALA A 9 10.834 -17.531 -9.183 1.00 0.00 N ATOM 83 CA ALA A 9 10.444 -16.127 -9.132 1.00 0.00 C ATOM 84 C ALA A 9 10.649 -15.551 -7.735 1.00 0.00 C ATOM 85 O ALA A 9 10.647 -16.283 -6.745 1.00 0.00 O ATOM 86 CB ALA A 9 8.994 -15.966 -9.564 1.00 0.00 C ATOM 0 H ALA A 9 10.090 -18.165 -9.474 1.00 0.00 H new ATOM 0 HA ALA A 9 11.081 -15.573 -9.822 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.716 -14.913 -9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.876 -16.331 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.350 -16.539 -8.897 1.00 0.00 H new ATOM 92 N ARG A 10 10.827 -14.236 -7.662 1.00 0.00 N ATOM 93 CA ARG A 10 11.035 -13.562 -6.386 1.00 0.00 C ATOM 94 C ARG A 10 10.129 -12.341 -6.262 1.00 0.00 C ATOM 95 O ARG A 10 9.392 -12.005 -7.189 1.00 0.00 O ATOM 96 CB ARG A 10 12.499 -13.142 -6.241 1.00 0.00 C ATOM 97 CG ARG A 10 13.437 -14.298 -5.936 1.00 0.00 C ATOM 98 CD ARG A 10 14.820 -13.804 -5.538 1.00 0.00 C ATOM 99 NE ARG A 10 15.494 -13.122 -6.639 1.00 0.00 N ATOM 100 CZ ARG A 10 16.815 -13.008 -6.734 1.00 0.00 C ATOM 101 NH1 ARG A 10 17.597 -13.529 -5.799 1.00 0.00 N ATOM 102 NH2 ARG A 10 17.354 -12.373 -7.767 1.00 0.00 N ATOM 0 H ARG A 10 10.831 -13.616 -8.472 1.00 0.00 H new ATOM 0 HA ARG A 10 10.784 -14.261 -5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.822 -12.657 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.579 -12.401 -5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.020 -14.903 -5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.518 -14.943 -6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.732 -13.125 -4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.426 -14.648 -5.209 1.00 0.00 H new ATOM 0 HE ARG A 10 14.920 -12.711 -7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.185 -14.019 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.610 -13.440 -5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.755 -11.972 -8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.368 -12.286 -7.840 1.00 0.00 H new ATOM 116 N SER A 11 10.190 -11.681 -5.110 1.00 0.00 N ATOM 117 CA SER A 11 9.372 -10.499 -4.863 1.00 0.00 C ATOM 118 C SER A 11 9.378 -9.571 -6.074 1.00 0.00 C ATOM 119 O SER A 11 10.434 -9.244 -6.614 1.00 0.00 O ATOM 120 CB SER A 11 9.880 -9.750 -3.629 1.00 0.00 C ATOM 121 OG SER A 11 9.729 -10.533 -2.458 1.00 0.00 O ATOM 0 H SER A 11 10.797 -11.944 -4.333 1.00 0.00 H new ATOM 0 HA SER A 11 8.348 -10.827 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.930 -9.491 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.333 -8.814 -3.517 1.00 0.00 H new ATOM 0 HG SER A 11 9.772 -9.953 -1.669 1.00 0.00 H new ATOM 127 N SER A 12 8.189 -9.151 -6.495 1.00 0.00 N ATOM 128 CA SER A 12 8.055 -8.263 -7.644 1.00 0.00 C ATOM 129 C SER A 12 8.795 -6.950 -7.406 1.00 0.00 C ATOM 130 O SER A 12 8.829 -6.436 -6.288 1.00 0.00 O ATOM 131 CB SER A 12 6.578 -7.985 -7.931 1.00 0.00 C ATOM 132 OG SER A 12 5.967 -9.088 -8.576 1.00 0.00 O ATOM 0 H SER A 12 7.305 -9.411 -6.058 1.00 0.00 H new ATOM 0 HA SER A 12 8.499 -8.758 -8.508 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.057 -7.771 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.487 -7.098 -8.557 1.00 0.00 H new ATOM 0 HG SER A 12 5.023 -8.886 -8.747 1.00 0.00 H new ATOM 138 N LYS A 13 9.388 -6.412 -8.466 1.00 0.00 N ATOM 139 CA LYS A 13 10.127 -5.159 -8.376 1.00 0.00 C ATOM 140 C LYS A 13 9.452 -4.198 -7.403 1.00 0.00 C ATOM 141 O LYS A 13 10.117 -3.546 -6.596 1.00 0.00 O ATOM 142 CB LYS A 13 10.239 -4.508 -9.757 1.00 0.00 C ATOM 143 CG LYS A 13 11.498 -3.678 -9.938 1.00 0.00 C ATOM 144 CD LYS A 13 11.309 -2.602 -10.994 1.00 0.00 C ATOM 145 CE LYS A 13 11.603 -3.133 -12.389 1.00 0.00 C ATOM 146 NZ LYS A 13 11.774 -2.032 -13.377 1.00 0.00 N ATOM 0 H LYS A 13 9.371 -6.825 -9.399 1.00 0.00 H new ATOM 0 HA LYS A 13 11.127 -5.382 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.214 -5.287 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.369 -3.873 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.769 -3.215 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.325 -4.328 -10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.286 -2.227 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.966 -1.759 -10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.507 -3.741 -12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.790 -3.785 -12.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.973 -2.435 -14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.902 -1.466 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.566 -1.425 -13.086 1.00 0.00 H new ATOM 160 N LEU A 14 8.129 -4.115 -7.482 1.00 0.00 N ATOM 161 CA LEU A 14 7.363 -3.235 -6.607 1.00 0.00 C ATOM 162 C LEU A 14 7.295 -3.799 -5.192 1.00 0.00 C ATOM 163 O LEU A 14 7.635 -3.118 -4.223 1.00 0.00 O ATOM 164 CB LEU A 14 5.950 -3.038 -7.159 1.00 0.00 C ATOM 165 CG LEU A 14 4.978 -2.274 -6.258 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.198 -0.774 -6.387 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.540 -2.635 -6.598 1.00 0.00 C ATOM 0 H LEU A 14 7.564 -4.647 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 14 7.869 -2.270 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.023 -2.511 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.524 -4.019 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 14 5.169 -2.561 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.498 -0.247 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.219 -0.529 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.035 -0.470 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.862 -2.082 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.336 -2.377 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.390 -3.705 -6.454 1.00 0.00 H new ATOM 179 N LEU A 15 6.855 -5.047 -5.079 1.00 0.00 N ATOM 180 CA LEU A 15 6.744 -5.705 -3.781 1.00 0.00 C ATOM 181 C LEU A 15 7.962 -5.404 -2.913 1.00 0.00 C ATOM 182 O LEU A 15 7.830 -4.943 -1.780 1.00 0.00 O ATOM 183 CB LEU A 15 6.596 -7.216 -3.965 1.00 0.00 C ATOM 184 CG LEU A 15 6.670 -8.058 -2.690 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.605 -7.619 -1.698 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.520 -9.536 -3.018 1.00 0.00 C ATOM 0 H LEU A 15 6.569 -5.624 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 15 5.858 -5.318 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.640 -7.411 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.375 -7.557 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 15 7.648 -7.905 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.673 -8.229 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.759 -6.571 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.619 -7.741 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.575 -10.120 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.557 -9.706 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.321 -9.842 -3.691 1.00 0.00 H new ATOM 198 N GLY A 16 9.148 -5.667 -3.453 1.00 0.00 N ATOM 199 CA GLY A 16 10.371 -5.416 -2.714 1.00 0.00 C ATOM 200 C GLY A 16 10.349 -4.085 -1.991 1.00 0.00 C ATOM 201 O GLY A 16 10.612 -4.019 -0.790 1.00 0.00 O ATOM 0 H GLY A 16 9.283 -6.049 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.525 -6.216 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.218 -5.439 -3.400 1.00 0.00 H new ATOM 205 N TRP A 17 10.037 -3.021 -2.722 1.00 0.00 N ATOM 206 CA TRP A 17 9.983 -1.684 -2.143 1.00 0.00 C ATOM 207 C TRP A 17 9.119 -1.669 -0.886 1.00 0.00 C ATOM 208 O TRP A 17 9.573 -1.266 0.185 1.00 0.00 O ATOM 209 CB TRP A 17 9.437 -0.685 -3.164 1.00 0.00 C ATOM 210 CG TRP A 17 9.578 0.743 -2.731 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.734 1.465 -2.650 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.525 1.621 -2.319 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.463 2.739 -2.212 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.115 2.861 -2.002 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.140 1.482 -2.188 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.368 3.950 -1.563 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.401 2.565 -1.751 1.00 0.00 C ATOM 218 CH2 TRP A 17 7.015 3.786 -1.444 1.00 0.00 C ATOM 0 H TRP A 17 9.817 -3.058 -3.717 1.00 0.00 H new ATOM 0 HA TRP A 17 10.997 -1.394 -1.868 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.958 -0.823 -4.111 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.384 -0.900 -3.345 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.717 1.090 -2.894 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.154 3.475 -2.067 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.657 0.546 -2.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.840 4.892 -1.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.331 2.468 -1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.409 4.614 -1.107 1.00 0.00 H new ATOM 229 N CYS A 18 7.874 -2.110 -1.025 1.00 0.00 N ATOM 230 CA CYS A 18 6.947 -2.147 0.100 1.00 0.00 C ATOM 231 C CYS A 18 7.521 -2.965 1.252 1.00 0.00 C ATOM 232 O CYS A 18 7.442 -2.562 2.412 1.00 0.00 O ATOM 233 CB CYS A 18 5.604 -2.734 -0.338 1.00 0.00 C ATOM 234 SG CYS A 18 4.760 -1.772 -1.615 1.00 0.00 S ATOM 0 H CYS A 18 7.483 -2.447 -1.905 1.00 0.00 H new ATOM 0 HA CYS A 18 6.794 -1.125 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.765 -3.746 -0.708 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.953 -2.813 0.532 1.00 0.00 H new ATOM 0 HG CYS A 18 3.475 -1.929 -1.498 1.00 0.00 H new ATOM 240 N GLN A 19 8.098 -4.117 0.923 1.00 0.00 N ATOM 241 CA GLN A 19 8.683 -4.993 1.931 1.00 0.00 C ATOM 242 C GLN A 19 9.734 -4.252 2.752 1.00 0.00 C ATOM 243 O GLN A 19 9.748 -4.335 3.980 1.00 0.00 O ATOM 244 CB GLN A 19 9.309 -6.221 1.269 1.00 0.00 C ATOM 245 CG GLN A 19 8.313 -7.067 0.491 1.00 0.00 C ATOM 246 CD GLN A 19 8.691 -8.534 0.461 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.872 -8.883 0.447 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.688 -9.404 0.452 1.00 0.00 N ATOM 0 H GLN A 19 8.173 -4.465 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 19 7.886 -5.317 2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.101 -5.896 0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.776 -6.838 2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.324 -6.960 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.244 -6.693 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.724 -9.071 0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.882 -10.405 0.433 1.00 0.00 H new ATOM 257 N ARG A 20 10.613 -3.530 2.065 1.00 0.00 N ATOM 258 CA ARG A 20 11.669 -2.776 2.730 1.00 0.00 C ATOM 259 C ARG A 20 11.090 -1.595 3.503 1.00 0.00 C ATOM 260 O ARG A 20 11.432 -1.373 4.664 1.00 0.00 O ATOM 261 CB ARG A 20 12.691 -2.278 1.707 1.00 0.00 C ATOM 262 CG ARG A 20 13.324 -3.390 0.887 1.00 0.00 C ATOM 263 CD ARG A 20 14.032 -2.843 -0.342 1.00 0.00 C ATOM 264 NE ARG A 20 15.151 -1.973 0.012 1.00 0.00 N ATOM 265 CZ ARG A 20 15.926 -1.371 -0.883 1.00 0.00 C ATOM 266 NH1 ARG A 20 15.705 -1.543 -2.179 1.00 0.00 N ATOM 267 NH2 ARG A 20 16.925 -0.595 -0.482 1.00 0.00 N ATOM 0 H ARG A 20 10.615 -3.451 1.048 1.00 0.00 H new ATOM 0 HA ARG A 20 12.166 -3.441 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.204 -1.573 1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.476 -1.730 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.036 -3.938 1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.556 -4.099 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.395 -3.672 -0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.320 -2.288 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 20 15.348 -1.819 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.938 -2.139 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.302 -1.079 -2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.098 -0.461 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.520 -0.133 -1.170 1.00 0.00 H new ATOM 281 N GLN A 21 10.212 -0.840 2.849 1.00 0.00 N ATOM 282 CA GLN A 21 9.586 0.319 3.475 1.00 0.00 C ATOM 283 C GLN A 21 8.723 -0.102 4.659 1.00 0.00 C ATOM 284 O GLN A 21 9.011 0.243 5.806 1.00 0.00 O ATOM 285 CB GLN A 21 8.738 1.080 2.455 1.00 0.00 C ATOM 286 CG GLN A 21 9.543 1.647 1.296 1.00 0.00 C ATOM 287 CD GLN A 21 10.961 2.007 1.692 1.00 0.00 C ATOM 288 OE1 GLN A 21 11.183 2.922 2.485 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.931 1.287 1.141 1.00 0.00 N ATOM 0 H GLN A 21 9.919 -1.010 1.887 1.00 0.00 H new ATOM 0 HA GLN A 21 10.377 0.974 3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.972 0.412 2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.221 1.896 2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.570 0.918 0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.041 2.534 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.702 0.537 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.905 1.483 1.370 1.00 0.00 H new ATOM 298 N THR A 22 7.661 -0.849 4.375 1.00 0.00 N ATOM 299 CA THR A 22 6.754 -1.316 5.416 1.00 0.00 C ATOM 300 C THR A 22 7.524 -1.882 6.604 1.00 0.00 C ATOM 301 O THR A 22 7.140 -1.685 7.757 1.00 0.00 O ATOM 302 CB THR A 22 5.792 -2.394 4.882 1.00 0.00 C ATOM 303 OG1 THR A 22 6.532 -3.545 4.461 1.00 0.00 O ATOM 304 CG2 THR A 22 4.971 -1.858 3.718 1.00 0.00 C ATOM 0 H THR A 22 7.408 -1.144 3.432 1.00 0.00 H new ATOM 0 HA THR A 22 6.175 -0.451 5.740 1.00 0.00 H new ATOM 0 HB THR A 22 5.112 -2.674 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.066 -3.320 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.299 -2.637 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.387 -1.000 4.050 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.638 -1.553 2.912 1.00 0.00 H new ATOM 312 N ASP A 23 8.614 -2.585 6.315 1.00 0.00 N ATOM 313 CA ASP A 23 9.440 -3.178 7.360 1.00 0.00 C ATOM 314 C ASP A 23 9.649 -2.198 8.510 1.00 0.00 C ATOM 315 O ASP A 23 10.053 -1.055 8.299 1.00 0.00 O ATOM 316 CB ASP A 23 10.792 -3.608 6.788 1.00 0.00 C ATOM 317 CG ASP A 23 11.686 -4.246 7.833 1.00 0.00 C ATOM 318 OD1 ASP A 23 12.075 -3.544 8.790 1.00 0.00 O ATOM 319 OD2 ASP A 23 11.997 -5.447 7.694 1.00 0.00 O ATOM 0 H ASP A 23 8.946 -2.758 5.366 1.00 0.00 H new ATOM 0 HA ASP A 23 8.921 -4.056 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.631 -4.313 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.296 -2.740 6.364 1.00 0.00 H new ATOM 324 N GLY A 24 9.369 -2.654 9.727 1.00 0.00 N ATOM 325 CA GLY A 24 9.531 -1.804 10.893 1.00 0.00 C ATOM 326 C GLY A 24 8.230 -1.590 11.640 1.00 0.00 C ATOM 327 O GLY A 24 8.217 -1.511 12.868 1.00 0.00 O ATOM 0 H GLY A 24 9.033 -3.596 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.263 -2.251 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.931 -0.839 10.582 1.00 0.00 H new ATOM 331 N TYR A 25 7.132 -1.495 10.897 1.00 0.00 N ATOM 332 CA TYR A 25 5.820 -1.285 11.497 1.00 0.00 C ATOM 333 C TYR A 25 5.437 -2.456 12.395 1.00 0.00 C ATOM 334 O TYR A 25 6.222 -3.383 12.594 1.00 0.00 O ATOM 335 CB TYR A 25 4.763 -1.096 10.407 1.00 0.00 C ATOM 336 CG TYR A 25 4.708 0.309 9.853 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.726 0.798 9.043 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.638 1.148 10.138 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.681 2.081 8.535 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.583 2.433 9.633 1.00 0.00 C ATOM 341 CZ TYR A 25 4.607 2.895 8.832 1.00 0.00 C ATOM 342 OH TYR A 25 4.558 4.174 8.327 1.00 0.00 O ATOM 0 H TYR A 25 7.125 -1.560 9.879 1.00 0.00 H new ATOM 0 HA TYR A 25 5.868 -0.384 12.108 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.966 -1.791 9.592 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.785 -1.356 10.812 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.567 0.163 8.807 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.835 0.790 10.765 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.482 2.445 7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.743 3.072 9.864 1.00 0.00 H new ATOM 0 HH TYR A 25 4.004 4.186 7.519 1.00 0.00 H new ATOM 352 N ALA A 26 4.224 -2.408 12.936 1.00 0.00 N ATOM 353 CA ALA A 26 3.735 -3.466 13.811 1.00 0.00 C ATOM 354 C ALA A 26 2.558 -4.201 13.179 1.00 0.00 C ATOM 355 O ALA A 26 1.521 -3.604 12.894 1.00 0.00 O ATOM 356 CB ALA A 26 3.335 -2.890 15.162 1.00 0.00 C ATOM 0 H ALA A 26 3.562 -1.647 12.783 1.00 0.00 H new ATOM 0 HA ALA A 26 4.542 -4.184 13.958 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.972 -3.691 15.806 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.200 -2.416 15.626 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.547 -2.150 15.023 1.00 0.00 H new ATOM 362 N GLY A 27 2.728 -5.502 12.960 1.00 0.00 N ATOM 363 CA GLY A 27 1.672 -6.297 12.361 1.00 0.00 C ATOM 364 C GLY A 27 1.451 -5.962 10.899 1.00 0.00 C ATOM 365 O GLY A 27 0.330 -6.046 10.398 1.00 0.00 O ATOM 0 H GLY A 27 3.578 -6.019 13.187 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.920 -7.354 12.455 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.745 -6.137 12.911 1.00 0.00 H new ATOM 369 N VAL A 28 2.524 -5.581 10.213 1.00 0.00 N ATOM 370 CA VAL A 28 2.443 -5.231 8.800 1.00 0.00 C ATOM 371 C VAL A 28 3.411 -6.067 7.971 1.00 0.00 C ATOM 372 O VAL A 28 4.496 -5.608 7.616 1.00 0.00 O ATOM 373 CB VAL A 28 2.746 -3.738 8.573 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.704 -3.405 7.089 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.767 -2.872 9.351 1.00 0.00 C ATOM 0 H VAL A 28 3.459 -5.507 10.613 1.00 0.00 H new ATOM 0 HA VAL A 28 1.422 -5.439 8.480 1.00 0.00 H new ATOM 0 HB VAL A 28 3.751 -3.528 8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.920 -2.346 6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.448 -4.001 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.713 -3.629 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.996 -1.820 9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.751 -3.082 9.017 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.852 -3.093 10.415 1.00 0.00 H new ATOM 385 N ASN A 29 3.011 -7.297 7.665 1.00 0.00 N ATOM 386 CA ASN A 29 3.844 -8.198 6.877 1.00 0.00 C ATOM 387 C ASN A 29 3.309 -8.328 5.454 1.00 0.00 C ATOM 388 O ASN A 29 2.224 -8.866 5.234 1.00 0.00 O ATOM 389 CB ASN A 29 3.906 -9.577 7.538 1.00 0.00 C ATOM 390 CG ASN A 29 4.191 -10.683 6.541 1.00 0.00 C ATOM 391 OD1 ASN A 29 3.300 -11.126 5.816 1.00 0.00 O ATOM 392 ND2 ASN A 29 5.439 -11.136 6.500 1.00 0.00 N ATOM 0 H ASN A 29 2.115 -7.692 7.951 1.00 0.00 H new ATOM 0 HA ASN A 29 4.849 -7.778 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.680 -9.575 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.960 -9.779 8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.690 -11.880 5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.146 -10.740 7.119 1.00 0.00 H new ATOM 399 N VAL A 30 4.079 -7.832 4.491 1.00 0.00 N ATOM 400 CA VAL A 30 3.685 -7.894 3.089 1.00 0.00 C ATOM 401 C VAL A 30 4.401 -9.029 2.366 1.00 0.00 C ATOM 402 O VAL A 30 5.597 -8.944 2.082 1.00 0.00 O ATOM 403 CB VAL A 30 3.983 -6.569 2.363 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.655 -6.685 0.882 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.208 -5.426 3.001 1.00 0.00 C ATOM 0 H VAL A 30 4.980 -7.383 4.656 1.00 0.00 H new ATOM 0 HA VAL A 30 2.611 -8.076 3.070 1.00 0.00 H new ATOM 0 HB VAL A 30 5.047 -6.354 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.872 -5.739 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.259 -7.475 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.598 -6.924 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.431 -4.497 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.139 -5.631 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.498 -5.329 4.047 1.00 0.00 H new ATOM 415 N THR A 31 3.662 -10.094 2.069 1.00 0.00 N ATOM 416 CA THR A 31 4.226 -11.248 1.379 1.00 0.00 C ATOM 417 C THR A 31 3.823 -11.261 -0.091 1.00 0.00 C ATOM 418 O THR A 31 4.573 -11.732 -0.946 1.00 0.00 O ATOM 419 CB THR A 31 3.779 -12.568 2.035 1.00 0.00 C ATOM 420 OG1 THR A 31 2.396 -12.492 2.395 1.00 0.00 O ATOM 421 CG2 THR A 31 4.615 -12.869 3.270 1.00 0.00 C ATOM 0 H THR A 31 2.671 -10.181 2.296 1.00 0.00 H new ATOM 0 HA THR A 31 5.310 -11.163 1.454 1.00 0.00 H new ATOM 0 HB THR A 31 3.922 -13.373 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.119 -13.336 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.281 -13.806 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.664 -12.956 2.987 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.500 -12.061 3.993 1.00 0.00 H new ATOM 429 N ASP A 32 2.635 -10.740 -0.378 1.00 0.00 N ATOM 430 CA ASP A 32 2.132 -10.691 -1.746 1.00 0.00 C ATOM 431 C ASP A 32 1.537 -9.321 -2.057 1.00 0.00 C ATOM 432 O ASP A 32 1.589 -8.408 -1.232 1.00 0.00 O ATOM 433 CB ASP A 32 1.081 -11.779 -1.965 1.00 0.00 C ATOM 434 CG ASP A 32 1.038 -12.262 -3.402 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.943 -13.025 -3.798 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.100 -11.876 -4.130 1.00 0.00 O ATOM 0 H ASP A 32 2.002 -10.346 0.318 1.00 0.00 H new ATOM 0 HA ASP A 32 2.970 -10.865 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.293 -12.622 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.100 -11.395 -1.684 1.00 0.00 H new ATOM 441 N LEU A 33 0.974 -9.184 -3.252 1.00 0.00 N ATOM 442 CA LEU A 33 0.369 -7.925 -3.673 1.00 0.00 C ATOM 443 C LEU A 33 -1.111 -8.111 -3.991 1.00 0.00 C ATOM 444 O LEU A 33 -1.618 -7.572 -4.976 1.00 0.00 O ATOM 445 CB LEU A 33 1.100 -7.370 -4.897 1.00 0.00 C ATOM 446 CG LEU A 33 2.616 -7.219 -4.763 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.267 -7.136 -6.135 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.958 -5.991 -3.932 1.00 0.00 C ATOM 0 H LEU A 33 0.924 -9.929 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 33 0.458 -7.215 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.894 -8.023 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.678 -6.394 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 33 3.006 -8.099 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.346 -7.029 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.050 -8.045 -6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.872 -6.275 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.041 -5.899 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.555 -5.101 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.523 -6.092 -2.938 1.00 0.00 H new ATOM 460 N THR A 34 -1.800 -8.876 -3.150 1.00 0.00 N ATOM 461 CA THR A 34 -3.222 -9.132 -3.341 1.00 0.00 C ATOM 462 C THR A 34 -3.988 -8.984 -2.031 1.00 0.00 C ATOM 463 O THR A 34 -4.939 -8.208 -1.942 1.00 0.00 O ATOM 464 CB THR A 34 -3.467 -10.543 -3.909 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.721 -11.509 -3.160 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.070 -10.613 -5.375 1.00 0.00 C ATOM 0 H THR A 34 -1.396 -9.329 -2.330 1.00 0.00 H new ATOM 0 HA THR A 34 -3.583 -8.393 -4.056 1.00 0.00 H new ATOM 0 HB THR A 34 -4.531 -10.764 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.815 -11.580 -3.528 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.252 -11.619 -5.754 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.661 -9.898 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.012 -10.373 -5.477 1.00 0.00 H new ATOM 474 N MET A 35 -3.567 -9.732 -1.017 1.00 0.00 N ATOM 475 CA MET A 35 -4.213 -9.681 0.290 1.00 0.00 C ATOM 476 C MET A 35 -3.419 -8.807 1.255 1.00 0.00 C ATOM 477 O MET A 35 -3.992 -8.135 2.113 1.00 0.00 O ATOM 478 CB MET A 35 -4.361 -11.091 0.864 1.00 0.00 C ATOM 479 CG MET A 35 -5.264 -11.993 0.038 1.00 0.00 C ATOM 480 SD MET A 35 -5.796 -13.459 0.942 1.00 0.00 S ATOM 481 CE MET A 35 -7.572 -13.357 0.736 1.00 0.00 C ATOM 0 H MET A 35 -2.782 -10.381 -1.075 1.00 0.00 H new ATOM 0 HA MET A 35 -5.203 -9.243 0.162 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.375 -11.549 0.939 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.758 -11.022 1.877 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.141 -11.429 -0.280 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.737 -12.299 -0.865 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.046 -14.198 1.242 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.935 -12.424 1.166 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.817 -13.387 -0.326 1.00 0.00 H new ATOM 491 N SER A 36 -2.098 -8.820 1.109 1.00 0.00 N ATOM 492 CA SER A 36 -1.226 -8.031 1.971 1.00 0.00 C ATOM 493 C SER A 36 -1.791 -6.629 2.179 1.00 0.00 C ATOM 494 O SER A 36 -1.495 -5.971 3.176 1.00 0.00 O ATOM 495 CB SER A 36 0.178 -7.943 1.369 1.00 0.00 C ATOM 496 OG SER A 36 0.878 -9.165 1.528 1.00 0.00 O ATOM 0 H SER A 36 -1.608 -9.368 0.402 1.00 0.00 H new ATOM 0 HA SER A 36 -1.168 -8.528 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.108 -7.695 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.733 -7.137 1.849 1.00 0.00 H new ATOM 0 HG SER A 36 0.823 -9.455 2.463 1.00 0.00 H new ATOM 502 N TRP A 37 -2.605 -6.180 1.231 1.00 0.00 N ATOM 503 CA TRP A 37 -3.212 -4.857 1.309 1.00 0.00 C ATOM 504 C TRP A 37 -4.684 -4.955 1.695 1.00 0.00 C ATOM 505 O TRP A 37 -5.218 -4.080 2.378 1.00 0.00 O ATOM 506 CB TRP A 37 -3.070 -4.128 -0.028 1.00 0.00 C ATOM 507 CG TRP A 37 -1.674 -4.154 -0.573 1.00 0.00 C ATOM 508 CD1 TRP A 37 -1.141 -5.084 -1.418 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.633 -3.207 -0.308 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.168 -4.773 -1.695 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.504 -3.626 -1.026 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.551 -2.046 0.465 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.706 -2.924 -0.993 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.643 -1.350 0.498 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.758 -1.790 -0.228 1.00 0.00 C ATOM 0 H TRP A 37 -2.860 -6.713 0.399 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.690 -4.291 2.081 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.745 -4.581 -0.754 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.385 -3.092 0.096 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.671 -5.939 -1.811 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.789 -5.309 -2.301 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.405 -1.698 1.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.567 -3.262 -1.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.718 -0.452 1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.676 -1.223 -0.183 1.00 0.00 H new ATOM 526 N LYS A 38 -5.337 -6.025 1.253 1.00 0.00 N ATOM 527 CA LYS A 38 -6.748 -6.238 1.553 1.00 0.00 C ATOM 528 C LYS A 38 -7.087 -5.743 2.955 1.00 0.00 C ATOM 529 O LYS A 38 -8.145 -5.152 3.176 1.00 0.00 O ATOM 530 CB LYS A 38 -7.098 -7.723 1.427 1.00 0.00 C ATOM 531 CG LYS A 38 -7.553 -8.124 0.034 1.00 0.00 C ATOM 532 CD LYS A 38 -8.115 -9.536 0.017 1.00 0.00 C ATOM 533 CE LYS A 38 -9.507 -9.590 0.628 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.456 -9.716 2.111 1.00 0.00 N ATOM 0 H LYS A 38 -4.911 -6.758 0.686 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.337 -5.669 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.227 -8.318 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.886 -7.964 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.312 -7.425 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.713 -8.057 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.153 -9.901 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.449 -10.200 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.057 -8.689 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.055 -10.435 0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.046 -10.518 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.474 -9.877 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.813 -8.841 2.546 1.00 0.00 H new ATOM 548 N SER A 39 -6.184 -5.985 3.899 1.00 0.00 N ATOM 549 CA SER A 39 -6.389 -5.565 5.280 1.00 0.00 C ATOM 550 C SER A 39 -6.576 -4.053 5.366 1.00 0.00 C ATOM 551 O SER A 39 -7.606 -3.570 5.834 1.00 0.00 O ATOM 552 CB SER A 39 -5.203 -5.993 6.147 1.00 0.00 C ATOM 553 OG SER A 39 -3.982 -5.509 5.616 1.00 0.00 O ATOM 0 H SER A 39 -5.302 -6.470 3.733 1.00 0.00 H new ATOM 0 HA SER A 39 -7.294 -6.048 5.650 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.336 -5.618 7.162 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.169 -7.081 6.211 1.00 0.00 H new ATOM 0 HG SER A 39 -3.240 -5.795 6.189 1.00 0.00 H new ATOM 559 N GLY A 40 -5.572 -3.312 4.910 1.00 0.00 N ATOM 560 CA GLY A 40 -5.644 -1.863 4.944 1.00 0.00 C ATOM 561 C GLY A 40 -4.435 -1.237 5.609 1.00 0.00 C ATOM 562 O GLY A 40 -3.932 -0.207 5.158 1.00 0.00 O ATOM 0 H GLY A 40 -4.709 -3.689 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.732 -1.483 3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.545 -1.560 5.477 1.00 0.00 H new ATOM 566 N LEU A 41 -3.967 -1.858 6.686 1.00 0.00 N ATOM 567 CA LEU A 41 -2.809 -1.355 7.418 1.00 0.00 C ATOM 568 C LEU A 41 -1.655 -1.052 6.468 1.00 0.00 C ATOM 569 O LEU A 41 -1.234 0.096 6.332 1.00 0.00 O ATOM 570 CB LEU A 41 -2.365 -2.371 8.471 1.00 0.00 C ATOM 571 CG LEU A 41 -3.411 -2.750 9.521 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.022 -4.045 10.217 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.580 -1.627 10.534 1.00 0.00 C ATOM 0 H LEU A 41 -4.372 -2.711 7.072 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.099 -0.430 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.047 -3.279 7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.491 -1.973 8.986 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.365 -2.905 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.777 -4.299 10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.952 -4.847 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.057 -3.918 10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.328 -1.914 11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.629 -1.441 11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.905 -0.721 10.022 1.00 0.00 H new ATOM 585 N ALA A 42 -1.148 -2.091 5.811 1.00 0.00 N ATOM 586 CA ALA A 42 -0.045 -1.935 4.871 1.00 0.00 C ATOM 587 C ALA A 42 -0.154 -0.619 4.109 1.00 0.00 C ATOM 588 O ALA A 42 0.714 0.248 4.220 1.00 0.00 O ATOM 589 CB ALA A 42 -0.011 -3.107 3.900 1.00 0.00 C ATOM 0 H ALA A 42 -1.484 -3.049 5.913 1.00 0.00 H new ATOM 0 HA ALA A 42 0.885 -1.919 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.817 -2.978 3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.123 -4.036 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.949 -3.147 3.346 1.00 0.00 H new ATOM 595 N LEU A 43 -1.225 -0.474 3.336 1.00 0.00 N ATOM 596 CA LEU A 43 -1.447 0.737 2.555 1.00 0.00 C ATOM 597 C LEU A 43 -1.331 1.980 3.433 1.00 0.00 C ATOM 598 O LEU A 43 -0.819 3.013 2.999 1.00 0.00 O ATOM 599 CB LEU A 43 -2.825 0.695 1.892 1.00 0.00 C ATOM 600 CG LEU A 43 -3.055 1.694 0.757 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.883 1.679 -0.212 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.355 1.385 0.030 1.00 0.00 C ATOM 0 H LEU A 43 -1.953 -1.181 3.234 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.680 0.787 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.988 -0.310 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.580 0.867 2.659 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.132 2.693 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.064 2.396 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.970 1.950 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.774 0.681 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.502 2.106 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.308 0.379 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.188 1.448 0.731 1.00 0.00 H new ATOM 614 N CYS A 44 -1.807 1.871 4.668 1.00 0.00 N ATOM 615 CA CYS A 44 -1.755 2.986 5.608 1.00 0.00 C ATOM 616 C CYS A 44 -0.326 3.230 6.083 1.00 0.00 C ATOM 617 O CYS A 44 0.065 4.367 6.348 1.00 0.00 O ATOM 618 CB CYS A 44 -2.664 2.712 6.807 1.00 0.00 C ATOM 619 SG CYS A 44 -4.396 2.431 6.370 1.00 0.00 S ATOM 0 H CYS A 44 -2.233 1.023 5.042 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.105 3.880 5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.289 1.839 7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.606 3.556 7.494 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.496 1.339 5.671 1.00 0.00 H new ATOM 625 N ALA A 45 0.448 2.155 6.191 1.00 0.00 N ATOM 626 CA ALA A 45 1.833 2.253 6.635 1.00 0.00 C ATOM 627 C ALA A 45 2.695 2.956 5.591 1.00 0.00 C ATOM 628 O ALA A 45 3.776 3.457 5.902 1.00 0.00 O ATOM 629 CB ALA A 45 2.389 0.869 6.936 1.00 0.00 C ATOM 0 H ALA A 45 0.139 1.207 5.977 1.00 0.00 H new ATOM 0 HA ALA A 45 1.856 2.848 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.424 0.957 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.796 0.401 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.346 0.256 6.036 1.00 0.00 H new ATOM 635 N ILE A 46 2.210 2.988 4.355 1.00 0.00 N ATOM 636 CA ILE A 46 2.937 3.630 3.266 1.00 0.00 C ATOM 637 C ILE A 46 2.872 5.149 3.383 1.00 0.00 C ATOM 638 O ILE A 46 3.900 5.817 3.497 1.00 0.00 O ATOM 639 CB ILE A 46 2.383 3.208 1.893 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.462 1.688 1.732 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.146 3.905 0.777 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.875 1.169 1.583 1.00 0.00 C ATOM 0 H ILE A 46 1.317 2.577 4.082 1.00 0.00 H new ATOM 0 HA ILE A 46 3.975 3.305 3.345 1.00 0.00 H new ATOM 0 HB ILE A 46 1.337 3.507 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.999 1.214 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.881 1.393 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.743 3.596 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.043 4.985 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.200 3.634 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.855 0.085 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.335 1.614 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.455 1.433 2.467 1.00 0.00 H new ATOM 654 N ILE A 47 1.658 5.688 3.355 1.00 0.00 N ATOM 655 CA ILE A 47 1.459 7.128 3.461 1.00 0.00 C ATOM 656 C ILE A 47 2.070 7.674 4.746 1.00 0.00 C ATOM 657 O ILE A 47 2.720 8.720 4.742 1.00 0.00 O ATOM 658 CB ILE A 47 -0.036 7.494 3.420 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.666 7.014 2.110 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.218 8.996 3.582 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.139 6.694 2.230 1.00 0.00 C ATOM 0 H ILE A 47 0.797 5.149 3.260 1.00 0.00 H new ATOM 0 HA ILE A 47 1.959 7.580 2.604 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.540 6.995 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.530 7.782 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.136 6.126 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.280 9.239 3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.199 9.312 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.297 9.514 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.519 6.360 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.281 5.905 2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.681 7.586 2.544 1.00 0.00 H new ATOM 673 N HIS A 48 1.858 6.959 5.847 1.00 0.00 N ATOM 674 CA HIS A 48 2.391 7.371 7.141 1.00 0.00 C ATOM 675 C HIS A 48 3.915 7.304 7.148 1.00 0.00 C ATOM 676 O HIS A 48 4.586 8.261 7.535 1.00 0.00 O ATOM 677 CB HIS A 48 1.825 6.487 8.253 1.00 0.00 C ATOM 678 CG HIS A 48 2.352 6.826 9.613 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.698 6.874 9.908 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.706 7.135 10.762 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.857 7.197 11.179 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.663 7.361 11.720 1.00 0.00 N ATOM 0 H HIS A 48 1.321 6.092 5.869 1.00 0.00 H new ATOM 0 HA HIS A 48 2.090 8.404 7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.739 6.577 8.260 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.057 5.445 8.032 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.636 7.193 10.899 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.802 7.308 11.689 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.482 7.614 12.691 1.00 0.00 H new ATOM 691 N ARG A 49 4.454 6.168 6.718 1.00 0.00 N ATOM 692 CA ARG A 49 5.899 5.976 6.677 1.00 0.00 C ATOM 693 C ARG A 49 6.612 7.282 6.339 1.00 0.00 C ATOM 694 O ARG A 49 7.571 7.669 7.008 1.00 0.00 O ATOM 695 CB ARG A 49 6.263 4.904 5.648 1.00 0.00 C ATOM 696 CG ARG A 49 7.755 4.801 5.378 1.00 0.00 C ATOM 697 CD ARG A 49 8.484 4.120 6.526 1.00 0.00 C ATOM 698 NE ARG A 49 9.934 4.245 6.405 1.00 0.00 N ATOM 699 CZ ARG A 49 10.784 3.907 7.368 1.00 0.00 C ATOM 700 NH1 ARG A 49 10.331 3.426 8.518 1.00 0.00 N ATOM 701 NH2 ARG A 49 12.090 4.049 7.183 1.00 0.00 N ATOM 0 H ARG A 49 3.912 5.367 6.393 1.00 0.00 H new ATOM 0 HA ARG A 49 6.225 5.649 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.898 3.938 5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.747 5.120 4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.921 4.242 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.168 5.798 5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.160 4.557 7.471 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.212 3.065 6.553 1.00 0.00 H new ATOM 0 HE ARG A 49 10.315 4.612 5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.328 3.315 8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.986 3.167 9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.443 4.418 6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.741 3.789 7.924 1.00 0.00 H new ATOM 715 N TYR A 50 6.137 7.957 5.298 1.00 0.00 N ATOM 716 CA TYR A 50 6.730 9.218 4.870 1.00 0.00 C ATOM 717 C TYR A 50 6.006 10.403 5.502 1.00 0.00 C ATOM 718 O TYR A 50 6.633 11.294 6.075 1.00 0.00 O ATOM 719 CB TYR A 50 6.687 9.335 3.345 1.00 0.00 C ATOM 720 CG TYR A 50 7.515 8.288 2.635 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.128 6.953 2.630 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.685 8.633 1.969 1.00 0.00 C ATOM 723 CE1 TYR A 50 7.881 5.993 1.983 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.443 7.680 1.318 1.00 0.00 C ATOM 725 CZ TYR A 50 9.038 6.361 1.328 1.00 0.00 C ATOM 726 OH TYR A 50 9.792 5.409 0.682 1.00 0.00 O ATOM 0 H TYR A 50 5.343 7.652 4.735 1.00 0.00 H new ATOM 0 HA TYR A 50 7.769 9.232 5.200 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.652 9.256 3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.040 10.324 3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.222 6.661 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.007 9.664 1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.566 4.960 1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.349 7.966 0.803 1.00 0.00 H new ATOM 0 HH TYR A 50 9.200 4.739 0.282 1.00 0.00 H new ATOM 736 N ARG A 51 4.682 10.406 5.393 1.00 0.00 N ATOM 737 CA ARG A 51 3.871 11.480 5.953 1.00 0.00 C ATOM 738 C ARG A 51 2.828 10.927 6.920 1.00 0.00 C ATOM 739 O ARG A 51 1.745 10.497 6.523 1.00 0.00 O ATOM 740 CB ARG A 51 3.181 12.263 4.834 1.00 0.00 C ATOM 741 CG ARG A 51 4.135 12.759 3.760 1.00 0.00 C ATOM 742 CD ARG A 51 4.674 14.143 4.090 1.00 0.00 C ATOM 743 NE ARG A 51 3.637 15.168 4.008 1.00 0.00 N ATOM 744 CZ ARG A 51 3.883 16.470 4.097 1.00 0.00 C ATOM 745 NH1 ARG A 51 5.124 16.904 4.270 1.00 0.00 N ATOM 746 NH2 ARG A 51 2.886 17.342 4.014 1.00 0.00 N ATOM 0 H ARG A 51 4.148 9.676 4.922 1.00 0.00 H new ATOM 0 HA ARG A 51 4.531 12.151 6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.425 11.629 4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.660 13.117 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.964 12.059 3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.621 12.787 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.099 14.137 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.483 14.390 3.403 1.00 0.00 H new ATOM 0 HE ARG A 51 2.671 14.868 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.893 16.237 4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.310 17.905 4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.930 17.012 3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.076 18.342 4.082 1.00 0.00 H new ATOM 760 N PRO A 52 3.160 10.939 8.219 1.00 0.00 N ATOM 761 CA PRO A 52 2.266 10.442 9.269 1.00 0.00 C ATOM 762 C PRO A 52 1.052 11.343 9.471 1.00 0.00 C ATOM 763 O PRO A 52 0.047 10.926 10.045 1.00 0.00 O ATOM 764 CB PRO A 52 3.150 10.447 10.519 1.00 0.00 C ATOM 765 CG PRO A 52 4.187 11.482 10.246 1.00 0.00 C ATOM 766 CD PRO A 52 4.434 11.438 8.763 1.00 0.00 C ATOM 0 HA PRO A 52 1.855 9.462 9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.573 10.691 11.411 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.601 9.469 10.689 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.844 12.469 10.556 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.102 11.274 10.801 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.681 12.423 8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.264 10.777 8.513 1.00 0.00 H new ATOM 774 N ASP A 53 1.153 12.579 8.995 1.00 0.00 N ATOM 775 CA ASP A 53 0.063 13.539 9.122 1.00 0.00 C ATOM 776 C ASP A 53 -1.119 13.138 8.243 1.00 0.00 C ATOM 777 O ASP A 53 -2.214 12.872 8.740 1.00 0.00 O ATOM 778 CB ASP A 53 0.542 14.941 8.745 1.00 0.00 C ATOM 779 CG ASP A 53 -0.593 15.944 8.684 1.00 0.00 C ATOM 780 OD1 ASP A 53 -1.063 16.372 9.759 1.00 0.00 O ATOM 781 OD2 ASP A 53 -1.011 16.301 7.563 1.00 0.00 O ATOM 0 H ASP A 53 1.979 12.940 8.517 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.265 13.544 10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.281 15.277 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.042 14.903 7.777 1.00 0.00 H new ATOM 786 N LEU A 54 -0.890 13.098 6.935 1.00 0.00 N ATOM 787 CA LEU A 54 -1.935 12.731 5.987 1.00 0.00 C ATOM 788 C LEU A 54 -2.803 11.605 6.541 1.00 0.00 C ATOM 789 O LEU A 54 -4.026 11.731 6.616 1.00 0.00 O ATOM 790 CB LEU A 54 -1.316 12.304 4.655 1.00 0.00 C ATOM 791 CG LEU A 54 -0.208 13.206 4.110 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.287 12.693 2.767 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.701 14.640 3.986 1.00 0.00 C ATOM 0 H LEU A 54 0.010 13.315 6.507 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.566 13.605 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.914 11.297 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.110 12.247 3.910 1.00 0.00 H new ATOM 0 HG LEU A 54 0.626 13.188 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.075 13.348 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.680 11.683 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.539 12.679 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.100 15.268 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.552 14.675 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.005 15.006 4.967 1.00 0.00 H new ATOM 805 N ILE A 55 -2.162 10.508 6.929 1.00 0.00 N ATOM 806 CA ILE A 55 -2.875 9.362 7.479 1.00 0.00 C ATOM 807 C ILE A 55 -2.390 9.038 8.888 1.00 0.00 C ATOM 808 O ILE A 55 -1.188 9.010 9.151 1.00 0.00 O ATOM 809 CB ILE A 55 -2.708 8.115 6.591 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.769 7.069 6.939 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.311 7.535 6.751 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.160 6.193 5.769 1.00 0.00 C ATOM 0 H ILE A 55 -1.151 10.389 6.873 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.930 9.634 7.514 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.841 8.407 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.395 6.438 7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.657 7.576 7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.208 6.654 6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.572 8.281 6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.151 7.254 7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.916 5.475 6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.564 6.813 4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.282 5.658 5.405 1.00 0.00 H new ATOM 824 N ASP A 56 -3.334 8.792 9.791 1.00 0.00 N ATOM 825 CA ASP A 56 -3.003 8.466 11.173 1.00 0.00 C ATOM 826 C ASP A 56 -3.153 6.970 11.430 1.00 0.00 C ATOM 827 O ASP A 56 -4.247 6.485 11.716 1.00 0.00 O ATOM 828 CB ASP A 56 -3.897 9.253 12.133 1.00 0.00 C ATOM 829 CG ASP A 56 -3.241 9.480 13.481 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.763 8.495 14.081 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.207 10.643 13.935 1.00 0.00 O ATOM 0 H ASP A 56 -4.334 8.812 9.590 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.963 8.743 11.347 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.146 10.216 11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.835 8.716 12.274 1.00 0.00 H new ATOM 836 N PHE A 57 -2.045 6.243 11.324 1.00 0.00 N ATOM 837 CA PHE A 57 -2.053 4.801 11.542 1.00 0.00 C ATOM 838 C PHE A 57 -2.379 4.473 12.996 1.00 0.00 C ATOM 839 O PHE A 57 -3.219 3.618 13.277 1.00 0.00 O ATOM 840 CB PHE A 57 -0.699 4.199 11.163 1.00 0.00 C ATOM 841 CG PHE A 57 -0.679 2.698 11.199 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.585 2.022 12.404 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.755 1.962 10.027 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.565 0.640 12.440 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.737 0.580 10.056 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.643 -0.081 11.265 1.00 0.00 C ATOM 0 H PHE A 57 -1.131 6.629 11.089 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.826 4.367 10.908 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.429 4.534 10.162 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.063 4.581 11.843 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.527 2.581 13.326 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.829 2.475 9.079 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.488 0.125 13.386 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.796 0.019 9.135 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.631 -1.161 11.291 1.00 0.00 H new ATOM 856 N ASP A 58 -1.708 5.158 13.915 1.00 0.00 N ATOM 857 CA ASP A 58 -1.926 4.941 15.341 1.00 0.00 C ATOM 858 C ASP A 58 -3.416 4.917 15.666 1.00 0.00 C ATOM 859 O ASP A 58 -3.890 4.042 16.390 1.00 0.00 O ATOM 860 CB ASP A 58 -1.231 6.032 16.157 1.00 0.00 C ATOM 861 CG ASP A 58 0.271 6.041 15.950 1.00 0.00 C ATOM 862 OD1 ASP A 58 0.828 4.981 15.595 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.890 7.108 16.143 1.00 0.00 O ATOM 0 H ASP A 58 -1.009 5.868 13.699 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.499 3.973 15.605 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.639 7.004 15.880 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.448 5.885 17.215 1.00 0.00 H new ATOM 868 N SER A 59 -4.150 5.885 15.126 1.00 0.00 N ATOM 869 CA SER A 59 -5.586 5.978 15.362 1.00 0.00 C ATOM 870 C SER A 59 -6.319 4.803 14.722 1.00 0.00 C ATOM 871 O SER A 59 -7.225 4.222 15.320 1.00 0.00 O ATOM 872 CB SER A 59 -6.131 7.296 14.809 1.00 0.00 C ATOM 873 OG SER A 59 -7.546 7.332 14.877 1.00 0.00 O ATOM 0 H SER A 59 -3.774 6.616 14.522 1.00 0.00 H new ATOM 0 HA SER A 59 -5.755 5.946 16.438 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.715 8.130 15.374 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.810 7.420 13.775 1.00 0.00 H new ATOM 0 HG SER A 59 -7.869 8.185 14.519 1.00 0.00 H new ATOM 879 N LEU A 60 -5.920 4.459 13.503 1.00 0.00 N ATOM 880 CA LEU A 60 -6.538 3.353 12.779 1.00 0.00 C ATOM 881 C LEU A 60 -6.453 2.060 13.584 1.00 0.00 C ATOM 882 O LEU A 60 -5.681 1.962 14.539 1.00 0.00 O ATOM 883 CB LEU A 60 -5.863 3.166 11.420 1.00 0.00 C ATOM 884 CG LEU A 60 -6.140 4.250 10.378 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.237 4.071 9.167 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.603 4.229 9.962 1.00 0.00 C ATOM 0 H LEU A 60 -5.171 4.930 12.995 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.590 3.595 12.625 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.786 3.108 11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.178 2.207 11.009 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.924 5.220 10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.449 4.852 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.194 4.138 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.420 3.095 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.781 5.007 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.845 3.257 9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.232 4.408 10.834 1.00 0.00 H new ATOM 898 N ASP A 61 -7.248 1.071 13.192 1.00 0.00 N ATOM 899 CA ASP A 61 -7.260 -0.217 13.875 1.00 0.00 C ATOM 900 C ASP A 61 -7.362 -1.362 12.873 1.00 0.00 C ATOM 901 O ASP A 61 -8.192 -1.333 11.965 1.00 0.00 O ATOM 902 CB ASP A 61 -8.425 -0.283 14.864 1.00 0.00 C ATOM 903 CG ASP A 61 -8.151 -1.226 16.020 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.005 -1.237 16.517 1.00 0.00 O ATOM 905 OD2 ASP A 61 -9.082 -1.951 16.427 1.00 0.00 O ATOM 0 H ASP A 61 -7.893 1.137 12.404 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.323 -0.319 14.422 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.625 0.715 15.253 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.324 -0.607 14.340 1.00 0.00 H new ATOM 910 N GLU A 62 -6.512 -2.370 13.044 1.00 0.00 N ATOM 911 CA GLU A 62 -6.506 -3.524 12.153 1.00 0.00 C ATOM 912 C GLU A 62 -7.912 -4.093 11.991 1.00 0.00 C ATOM 913 O GLU A 62 -8.247 -4.657 10.950 1.00 0.00 O ATOM 914 CB GLU A 62 -5.564 -4.604 12.688 1.00 0.00 C ATOM 915 CG GLU A 62 -5.997 -5.181 14.026 1.00 0.00 C ATOM 916 CD GLU A 62 -5.721 -4.241 15.183 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.536 -3.927 15.422 1.00 0.00 O ATOM 918 OE2 GLU A 62 -6.689 -3.820 15.850 1.00 0.00 O ATOM 0 H GLU A 62 -5.819 -2.410 13.791 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.152 -3.195 11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.498 -5.411 11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.563 -4.184 12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.063 -5.407 13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.477 -6.124 14.196 1.00 0.00 H new ATOM 925 N GLN A 63 -8.729 -3.941 13.028 1.00 0.00 N ATOM 926 CA GLN A 63 -10.098 -4.441 13.001 1.00 0.00 C ATOM 927 C GLN A 63 -10.883 -3.818 11.851 1.00 0.00 C ATOM 928 O GLN A 63 -11.547 -4.519 11.089 1.00 0.00 O ATOM 929 CB GLN A 63 -10.797 -4.147 14.330 1.00 0.00 C ATOM 930 CG GLN A 63 -10.283 -4.988 15.487 1.00 0.00 C ATOM 931 CD GLN A 63 -11.194 -4.935 16.697 1.00 0.00 C ATOM 932 OE1 GLN A 63 -11.580 -5.968 17.245 1.00 0.00 O ATOM 933 NE2 GLN A 63 -11.544 -3.726 17.122 1.00 0.00 N ATOM 0 H GLN A 63 -8.467 -3.476 13.897 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.061 -5.520 12.849 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.668 -3.092 14.573 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.867 -4.319 14.214 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.179 -6.023 15.161 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.289 -4.641 15.770 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.201 -2.896 16.638 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.156 -3.628 17.932 1.00 0.00 H new ATOM 942 N ASN A 64 -10.802 -2.497 11.733 1.00 0.00 N ATOM 943 CA ASN A 64 -11.506 -1.779 10.677 1.00 0.00 C ATOM 944 C ASN A 64 -10.852 -2.030 9.321 1.00 0.00 C ATOM 945 O ASN A 64 -10.189 -1.152 8.768 1.00 0.00 O ATOM 946 CB ASN A 64 -11.526 -0.279 10.977 1.00 0.00 C ATOM 947 CG ASN A 64 -12.051 0.026 12.366 1.00 0.00 C ATOM 948 OD1 ASN A 64 -11.164 0.469 13.250 1.00 0.00 O flip ATOM 949 ND2 ASN A 64 -13.240 -0.136 12.642 1.00 0.00 N flip ATOM 0 H ASN A 64 -10.256 -1.902 12.356 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.531 -2.148 10.641 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.518 0.122 10.877 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.146 0.228 10.238 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.886 -0.478 11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.578 0.072 13.581 1.00 0.00 H new ATOM 956 N VAL A 65 -11.045 -3.233 8.790 1.00 0.00 N ATOM 957 CA VAL A 65 -10.476 -3.599 7.499 1.00 0.00 C ATOM 958 C VAL A 65 -10.964 -2.663 6.399 1.00 0.00 C ATOM 959 O VAL A 65 -10.164 -2.043 5.699 1.00 0.00 O ATOM 960 CB VAL A 65 -10.832 -5.049 7.119 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.267 -5.397 5.750 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.323 -6.016 8.177 1.00 0.00 C ATOM 0 H VAL A 65 -11.591 -3.971 9.234 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.394 -3.512 7.594 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.917 -5.138 7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.529 -6.425 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.685 -4.723 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.182 -5.293 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.583 -7.036 7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.240 -5.927 8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.781 -5.779 9.137 1.00 0.00 H new ATOM 972 N GLU A 66 -12.282 -2.566 6.253 1.00 0.00 N ATOM 973 CA GLU A 66 -12.876 -1.705 5.237 1.00 0.00 C ATOM 974 C GLU A 66 -12.420 -0.260 5.414 1.00 0.00 C ATOM 975 O GLU A 66 -11.972 0.384 4.465 1.00 0.00 O ATOM 976 CB GLU A 66 -14.402 -1.782 5.300 1.00 0.00 C ATOM 977 CG GLU A 66 -15.101 -0.787 4.388 1.00 0.00 C ATOM 978 CD GLU A 66 -16.522 -0.493 4.825 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.121 -1.346 5.513 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.037 0.591 4.479 1.00 0.00 O ATOM 0 H GLU A 66 -12.958 -3.073 6.825 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.542 -2.055 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.718 -2.791 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.724 -1.609 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.532 0.142 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.111 -1.178 3.371 1.00 0.00 H new ATOM 987 N LYS A 67 -12.539 0.246 6.638 1.00 0.00 N ATOM 988 CA LYS A 67 -12.140 1.614 6.943 1.00 0.00 C ATOM 989 C LYS A 67 -10.687 1.859 6.546 1.00 0.00 C ATOM 990 O LYS A 67 -10.407 2.614 5.616 1.00 0.00 O ATOM 991 CB LYS A 67 -12.327 1.902 8.434 1.00 0.00 C ATOM 992 CG LYS A 67 -12.602 3.363 8.742 1.00 0.00 C ATOM 993 CD LYS A 67 -11.323 4.183 8.744 1.00 0.00 C ATOM 994 CE LYS A 67 -11.556 5.579 9.300 1.00 0.00 C ATOM 995 NZ LYS A 67 -12.025 6.524 8.248 1.00 0.00 N ATOM 0 H LYS A 67 -12.909 -0.272 7.435 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.775 2.287 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.153 1.298 8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.432 1.589 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.293 3.768 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.090 3.445 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.565 3.675 9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.934 4.255 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.294 5.532 10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.632 5.954 9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.806 7.499 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.544 6.311 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.052 6.422 8.123 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.768 1.214 7.256 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.344 1.361 6.977 1.00 0.00 C ATOM 1011 C ASN A 68 -8.096 1.510 5.479 1.00 0.00 C ATOM 1012 O ASN A 68 -7.154 2.180 5.059 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.570 0.157 7.516 1.00 0.00 C ATOM 1014 CG ASN A 68 -7.102 0.362 8.944 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.997 0.849 9.183 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.943 -0.009 9.902 1.00 0.00 N ATOM 0 H ASN A 68 -9.983 0.584 8.029 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.993 2.263 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.203 -0.729 7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.707 -0.032 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.683 0.105 10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.849 -0.408 9.658 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.950 0.880 4.678 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.824 0.942 3.227 1.00 0.00 C ATOM 1025 C ASN A 69 -9.474 2.208 2.678 1.00 0.00 C ATOM 1026 O ASN A 69 -8.811 3.041 2.061 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.462 -0.292 2.585 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.591 -1.527 2.716 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.515 -1.607 2.123 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.054 -2.497 3.495 1.00 0.00 N ATOM 0 H ASN A 69 -9.736 0.321 5.010 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.762 0.964 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.429 -0.482 3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.650 -0.093 1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.512 -3.352 3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.951 -2.387 3.967 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.776 2.345 2.907 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.516 3.509 2.435 1.00 0.00 C ATOM 1039 C GLN A 70 -10.739 4.794 2.703 1.00 0.00 C ATOM 1040 O GLN A 70 -10.628 5.658 1.833 1.00 0.00 O ATOM 1041 CB GLN A 70 -12.886 3.578 3.113 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.640 4.868 2.832 1.00 0.00 C ATOM 1043 CD GLN A 70 -13.301 5.459 1.477 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -13.018 6.652 1.361 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.327 4.625 0.444 1.00 0.00 N ATOM 0 H GLN A 70 -11.340 1.665 3.416 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.655 3.407 1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.490 2.734 2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.755 3.471 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.712 4.676 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.409 5.596 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.567 3.644 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.107 4.965 -0.492 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.202 4.913 3.912 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.434 6.093 4.296 1.00 0.00 C ATOM 1056 C LEU A 71 -8.353 6.397 3.264 1.00 0.00 C ATOM 1057 O LEU A 71 -8.446 7.374 2.522 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.799 5.887 5.672 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.187 7.129 6.321 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.231 8.226 6.464 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.586 6.782 7.675 1.00 0.00 C ATOM 0 H LEU A 71 -10.284 4.207 4.644 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.116 6.942 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.558 5.487 6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.022 5.128 5.581 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.389 7.497 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.777 9.102 6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.614 8.494 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.051 7.869 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.155 7.678 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.365 6.389 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.807 6.031 7.546 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.327 5.553 3.223 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.230 5.729 2.280 1.00 0.00 C ATOM 1075 C ALA A 72 -6.751 6.083 0.891 1.00 0.00 C ATOM 1076 O ALA A 72 -6.397 7.121 0.330 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.377 4.470 2.221 1.00 0.00 C ATOM 0 H ALA A 72 -7.233 4.740 3.832 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.613 6.557 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.561 4.616 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.967 4.262 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.991 3.629 1.899 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.593 5.215 0.341 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.162 5.435 -0.983 1.00 0.00 C ATOM 1085 C PHE A 73 -8.632 6.879 -1.140 1.00 0.00 C ATOM 1086 O PHE A 73 -8.656 7.418 -2.246 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.330 4.477 -1.226 1.00 0.00 C ATOM 1088 CG PHE A 73 -8.901 3.058 -1.467 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -7.859 2.773 -2.335 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.540 2.009 -0.826 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.463 1.468 -2.559 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.148 0.702 -1.045 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.108 0.431 -1.912 1.00 0.00 C ATOM 0 H PHE A 73 -7.897 4.352 0.792 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.384 5.242 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.998 4.505 -0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.903 4.826 -2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.351 3.580 -2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.354 2.215 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.650 1.259 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.654 -0.106 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.799 -0.589 -2.084 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.004 7.497 -0.025 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.474 8.878 -0.037 1.00 0.00 C ATOM 1105 C ASP A 74 -8.320 9.846 0.205 1.00 0.00 C ATOM 1106 O ASP A 74 -8.016 10.689 -0.640 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.557 9.080 1.024 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.539 10.171 0.647 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -12.313 9.968 -0.312 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -11.536 11.228 1.312 1.00 0.00 O ATOM 0 H ASP A 74 -8.989 7.064 0.899 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.897 9.084 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.097 8.144 1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.088 9.330 1.975 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.682 9.720 1.364 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.562 10.584 1.717 1.00 0.00 C ATOM 1117 C ILE A 75 -5.561 10.682 0.570 1.00 0.00 C ATOM 1118 O ILE A 75 -5.158 11.776 0.177 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.835 10.076 2.976 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.781 10.090 4.178 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.603 10.926 3.255 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.269 11.473 4.547 1.00 0.00 C ATOM 0 H ILE A 75 -7.921 9.028 2.074 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.976 11.572 1.920 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.513 9.049 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.641 9.456 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.271 9.652 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.100 10.555 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.923 10.871 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.904 11.962 3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.935 11.406 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.417 12.105 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.808 11.906 3.704 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.166 9.531 0.037 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.215 9.487 -1.068 1.00 0.00 C ATOM 1136 C ALA A 76 -4.610 10.464 -2.170 1.00 0.00 C ATOM 1137 O ALA A 76 -3.914 11.449 -2.417 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.116 8.074 -1.623 1.00 0.00 C ATOM 0 H ALA A 76 -5.489 8.616 0.352 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.238 9.785 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.403 8.056 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.780 7.397 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.094 7.755 -1.983 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.729 10.184 -2.831 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.213 11.038 -3.908 1.00 0.00 C ATOM 1146 C GLU A 77 -6.380 12.477 -3.429 1.00 0.00 C ATOM 1147 O GLU A 77 -6.130 13.425 -4.174 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.545 10.511 -4.447 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.875 11.007 -5.845 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.352 10.896 -6.170 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -10.171 11.443 -5.403 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.688 10.261 -7.192 1.00 0.00 O ATOM 0 H GLU A 77 -6.317 9.373 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.473 11.023 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.519 9.421 -4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.345 10.806 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.563 12.047 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.302 10.434 -6.574 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.804 12.633 -2.179 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.003 13.955 -1.598 1.00 0.00 C ATOM 1161 C LYS A 78 -5.721 14.778 -1.664 1.00 0.00 C ATOM 1162 O LYS A 78 -5.726 15.913 -2.139 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.468 13.831 -0.145 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.977 13.750 0.007 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.629 15.110 -0.182 1.00 0.00 C ATOM 1166 CE LYS A 78 -11.101 14.976 -0.544 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.616 16.195 -1.226 1.00 0.00 N ATOM 0 H LYS A 78 -7.016 11.859 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.772 14.467 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.019 12.941 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.100 14.688 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.380 13.047 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.224 13.361 0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.530 15.693 0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.108 15.659 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.238 14.111 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.682 14.792 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.622 16.065 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.508 17.016 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.078 16.356 -2.101 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.625 14.197 -1.186 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.335 14.878 -1.193 1.00 0.00 C ATOM 1183 C GLU A 79 -2.437 14.330 -2.298 1.00 0.00 C ATOM 1184 O GLU A 79 -2.147 15.019 -3.277 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.646 14.724 0.164 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.455 15.277 1.325 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.203 16.754 1.560 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.137 17.248 1.138 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -4.072 17.415 2.167 1.00 0.00 O ATOM 0 H GLU A 79 -4.604 13.257 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.512 15.936 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.446 13.667 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.681 15.230 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.516 15.120 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.210 14.722 2.231 1.00 0.00 H new ATOM 1196 N LEU A 80 -1.997 13.088 -2.133 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.130 12.446 -3.116 1.00 0.00 C ATOM 1198 C LEU A 80 -1.651 12.672 -4.531 1.00 0.00 C ATOM 1199 O LEU A 80 -0.875 12.878 -5.464 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.026 10.947 -2.831 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.674 10.559 -1.395 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.603 9.046 -1.253 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.643 11.198 -0.978 1.00 0.00 C ATOM 0 H LEU A 80 -2.226 12.505 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.139 12.894 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.977 10.482 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.273 10.523 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.459 10.929 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.351 8.789 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.569 8.611 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.162 8.653 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.878 10.911 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.438 10.858 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.557 12.283 -1.040 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.971 12.635 -4.684 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.573 12.840 -5.988 1.00 0.00 C ATOM 1217 C GLY A 81 -3.798 11.539 -6.733 1.00 0.00 C ATOM 1218 O GLY A 81 -4.142 11.545 -7.916 1.00 0.00 O ATOM 0 H GLY A 81 -3.634 12.467 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.526 13.356 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.931 13.490 -6.583 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.603 10.421 -6.042 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.787 9.108 -6.646 1.00 0.00 C ATOM 1224 C ILE A 82 -5.227 8.629 -6.493 1.00 0.00 C ATOM 1225 O ILE A 82 -5.734 8.501 -5.379 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.842 8.064 -6.022 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.387 8.523 -6.145 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -3.033 6.710 -6.689 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.416 7.670 -5.360 1.00 0.00 C ATOM 0 H ILE A 82 -3.317 10.399 -5.063 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.552 9.212 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.084 7.964 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.099 8.513 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.310 9.555 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.358 5.983 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.063 6.381 -6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.815 6.795 -7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.596 8.053 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.678 7.699 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.464 6.641 -5.717 1.00 0.00 H new ATOM 1241 N SER A 83 -5.879 8.364 -7.621 1.00 0.00 N ATOM 1242 CA SER A 83 -7.261 7.900 -7.613 1.00 0.00 C ATOM 1243 C SER A 83 -7.332 6.408 -7.301 1.00 0.00 C ATOM 1244 O SER A 83 -6.635 5.589 -7.900 1.00 0.00 O ATOM 1245 CB SER A 83 -7.924 8.183 -8.963 1.00 0.00 C ATOM 1246 OG SER A 83 -7.367 7.373 -9.984 1.00 0.00 O ATOM 0 H SER A 83 -5.472 8.463 -8.551 1.00 0.00 H new ATOM 0 HA SER A 83 -7.796 8.442 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.996 7.998 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.799 9.235 -9.220 1.00 0.00 H new ATOM 0 HG SER A 83 -7.808 7.571 -10.836 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.196 6.046 -6.341 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.380 4.651 -5.927 1.00 0.00 C ATOM 1254 C PRO A 84 -9.070 3.815 -7.000 1.00 0.00 C ATOM 1255 O PRO A 84 -10.058 4.245 -7.595 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.267 4.764 -4.685 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.001 6.049 -4.859 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.059 6.969 -5.586 1.00 0.00 C ATOM 0 HA PRO A 84 -7.429 4.151 -5.744 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.955 3.922 -4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.671 4.769 -3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.918 5.900 -5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.289 6.468 -3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.594 7.651 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.483 7.583 -4.894 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.543 2.619 -7.240 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.110 1.722 -8.240 1.00 0.00 C ATOM 1268 C ILE A 85 -10.384 1.062 -7.726 1.00 0.00 C ATOM 1269 O ILE A 85 -11.202 0.576 -8.507 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.106 0.627 -8.647 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.568 -0.089 -7.407 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.965 1.228 -9.455 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.948 -1.436 -7.708 1.00 0.00 C ATOM 0 H ILE A 85 -7.725 2.249 -6.756 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.346 2.330 -9.113 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.621 -0.104 -9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.823 0.545 -6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.381 -0.224 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.264 0.442 -9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.364 1.696 -10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.449 1.977 -8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.588 -1.886 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.695 -2.087 -8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.113 -1.307 -8.397 1.00 0.00 H new ATOM 1285 N MET A 86 -10.548 1.049 -6.407 1.00 0.00 N ATOM 1286 CA MET A 86 -11.725 0.450 -5.789 1.00 0.00 C ATOM 1287 C MET A 86 -12.073 1.159 -4.484 1.00 0.00 C ATOM 1288 O MET A 86 -11.345 2.043 -4.032 1.00 0.00 O ATOM 1289 CB MET A 86 -11.490 -1.038 -5.528 1.00 0.00 C ATOM 1290 CG MET A 86 -11.093 -1.818 -6.771 1.00 0.00 C ATOM 1291 SD MET A 86 -10.979 -3.593 -6.471 1.00 0.00 S ATOM 1292 CE MET A 86 -9.653 -3.648 -5.268 1.00 0.00 C ATOM 0 H MET A 86 -9.881 1.446 -5.746 1.00 0.00 H new ATOM 0 HA MET A 86 -12.563 0.562 -6.478 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.709 -1.148 -4.776 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.398 -1.473 -5.111 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.822 -1.633 -7.560 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.132 -1.452 -7.133 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.271 -4.666 -5.193 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.850 -2.981 -5.581 1.00 0.00 H new ATOM 0 HE3 MET A 86 -10.030 -3.330 -4.296 1.00 0.00 H new ATOM 1302 N THR A 87 -13.191 0.765 -3.882 1.00 0.00 N ATOM 1303 CA THR A 87 -13.636 1.363 -2.629 1.00 0.00 C ATOM 1304 C THR A 87 -13.516 0.375 -1.475 1.00 0.00 C ATOM 1305 O THR A 87 -13.770 -0.818 -1.637 1.00 0.00 O ATOM 1306 CB THR A 87 -15.095 1.848 -2.726 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.903 0.850 -3.359 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.182 3.150 -3.509 1.00 0.00 C ATOM 0 H THR A 87 -13.805 0.034 -4.242 1.00 0.00 H new ATOM 0 HA THR A 87 -12.988 2.219 -2.439 1.00 0.00 H new ATOM 0 HB THR A 87 -15.463 2.025 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.829 1.166 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.222 3.473 -3.564 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.590 3.916 -3.008 1.00 0.00 H new ATOM 0 HG23 THR A 87 -14.796 2.995 -4.517 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.129 0.880 -0.307 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.983 0.027 0.858 1.00 0.00 C ATOM 1318 C GLY A 88 -14.006 -1.091 0.890 1.00 0.00 C ATOM 1319 O GLY A 88 -13.656 -2.258 1.069 1.00 0.00 O ATOM 0 H GLY A 88 -12.914 1.864 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.981 -0.401 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.080 0.630 1.761 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.274 -0.735 0.717 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.353 -1.717 0.727 1.00 0.00 C ATOM 1325 C LYS A 89 -16.063 -2.854 -0.247 1.00 0.00 C ATOM 1326 O LYS A 89 -16.120 -4.027 0.120 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.681 -1.048 0.367 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.896 -1.770 0.924 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.266 -1.254 2.305 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.161 -0.027 2.220 1.00 0.00 C ATOM 1331 NZ LYS A 89 -21.554 -0.382 1.832 1.00 0.00 N ATOM 0 H LYS A 89 -15.580 0.226 0.568 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.423 -2.133 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.675 -0.024 0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.768 -0.992 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.740 -1.639 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.693 -2.840 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.775 -2.039 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.359 -1.007 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.171 0.482 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.749 0.673 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.179 0.433 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.579 -0.639 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.879 -1.188 2.403 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.750 -2.498 -1.489 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.450 -3.490 -2.515 1.00 0.00 C ATOM 1347 C GLU A 90 -14.231 -4.322 -2.127 1.00 0.00 C ATOM 1348 O GLU A 90 -14.149 -5.508 -2.447 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.206 -2.805 -3.862 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.448 -2.153 -4.446 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.244 -3.097 -5.326 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.846 -3.296 -6.493 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.264 -3.636 -4.849 1.00 0.00 O ATOM 0 H GLU A 90 -15.698 -1.531 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.309 -4.155 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.431 -2.048 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.824 -3.540 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.083 -1.797 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.155 -1.279 -5.028 1.00 0.00 H new ATOM 1360 N MET A 91 -13.287 -3.692 -1.437 1.00 0.00 N ATOM 1361 CA MET A 91 -12.072 -4.374 -1.005 1.00 0.00 C ATOM 1362 C MET A 91 -12.380 -5.393 0.087 1.00 0.00 C ATOM 1363 O MET A 91 -11.862 -6.508 0.073 1.00 0.00 O ATOM 1364 CB MET A 91 -11.045 -3.360 -0.499 1.00 0.00 C ATOM 1365 CG MET A 91 -9.725 -3.989 -0.080 1.00 0.00 C ATOM 1366 SD MET A 91 -8.639 -4.321 -1.481 1.00 0.00 S ATOM 1367 CE MET A 91 -7.222 -3.310 -1.057 1.00 0.00 C ATOM 0 H MET A 91 -13.339 -2.710 -1.165 1.00 0.00 H new ATOM 0 HA MET A 91 -11.657 -4.902 -1.863 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.856 -2.625 -1.282 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.467 -2.821 0.349 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.217 -3.326 0.620 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.923 -4.921 0.450 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.621 -3.134 -1.949 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.563 -2.356 -0.655 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.619 -3.824 -0.308 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.227 -5.000 1.034 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.605 -5.880 2.133 1.00 0.00 C ATOM 1379 C ALA A 92 -14.562 -6.969 1.660 1.00 0.00 C ATOM 1380 O ALA A 92 -14.570 -8.077 2.197 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.234 -5.075 3.261 1.00 0.00 C ATOM 0 H ALA A 92 -13.664 -4.079 1.062 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.702 -6.363 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.512 -5.745 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.518 -4.338 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.124 -4.565 2.892 1.00 0.00 H new ATOM 1387 N SER A 93 -15.367 -6.647 0.653 1.00 0.00 N ATOM 1388 CA SER A 93 -16.332 -7.597 0.111 1.00 0.00 C ATOM 1389 C SER A 93 -15.638 -8.634 -0.767 1.00 0.00 C ATOM 1390 O SER A 93 -15.774 -9.838 -0.550 1.00 0.00 O ATOM 1391 CB SER A 93 -17.403 -6.862 -0.697 1.00 0.00 C ATOM 1392 OG SER A 93 -18.128 -5.959 0.120 1.00 0.00 O ATOM 0 H SER A 93 -15.370 -5.735 0.196 1.00 0.00 H new ATOM 0 HA SER A 93 -16.807 -8.113 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.935 -6.319 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.087 -7.585 -1.142 1.00 0.00 H new ATOM 0 HG SER A 93 -17.593 -5.152 0.271 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.894 -8.157 -1.760 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.177 -9.041 -2.671 1.00 0.00 C ATOM 1400 C VAL A 94 -13.296 -10.022 -1.905 1.00 0.00 C ATOM 1401 O VAL A 94 -12.797 -9.711 -0.825 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.303 -8.243 -3.656 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.024 -7.777 -2.977 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.988 -9.080 -4.887 1.00 0.00 C ATOM 0 H VAL A 94 -14.772 -7.163 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.929 -9.595 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.858 -7.362 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.419 -7.215 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.274 -7.139 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.462 -8.643 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.370 -8.501 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.452 -9.980 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.917 -9.360 -5.384 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.109 -11.209 -2.474 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.287 -12.218 -1.831 1.00 0.00 C ATOM 1416 C GLY A 95 -10.807 -12.002 -2.075 1.00 0.00 C ATOM 1417 O GLY A 95 -9.993 -12.154 -1.165 1.00 0.00 O ATOM 0 H GLY A 95 -13.512 -11.490 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.480 -12.210 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.573 -13.203 -2.199 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.457 -11.647 -3.308 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.064 -11.412 -3.668 1.00 0.00 C ATOM 1423 C GLU A 96 -8.964 -10.522 -4.904 1.00 0.00 C ATOM 1424 O GLU A 96 -9.572 -10.788 -5.942 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.349 -12.741 -3.924 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.857 -12.592 -4.167 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.225 -13.858 -4.712 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.013 -14.803 -3.923 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.945 -13.904 -5.928 1.00 0.00 O ATOM 0 H GLU A 96 -11.119 -11.516 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.581 -10.902 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.505 -13.399 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.802 -13.227 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.687 -11.775 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.366 -12.318 -3.233 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.180 -9.440 -4.792 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.982 -8.489 -5.890 1.00 0.00 C ATOM 1438 C PRO A 97 -7.164 -9.084 -7.031 1.00 0.00 C ATOM 1439 O PRO A 97 -6.600 -10.170 -6.903 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.218 -7.339 -5.229 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.521 -7.963 -4.070 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.426 -9.062 -3.585 1.00 0.00 C ATOM 0 HA PRO A 97 -8.926 -8.187 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.508 -6.886 -5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.895 -6.549 -4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.550 -8.359 -4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.340 -7.231 -3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.859 -9.903 -3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.087 -8.717 -2.790 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.105 -8.365 -8.147 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.355 -8.821 -9.312 1.00 0.00 C ATOM 1452 C ASP A 98 -4.914 -8.324 -9.259 1.00 0.00 C ATOM 1453 O ASP A 98 -4.661 -7.119 -9.255 1.00 0.00 O ATOM 1454 CB ASP A 98 -7.027 -8.340 -10.598 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.545 -9.095 -11.821 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.390 -8.872 -12.238 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.323 -9.910 -12.361 1.00 0.00 O ATOM 0 H ASP A 98 -7.567 -7.464 -8.269 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.345 -9.911 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.107 -8.456 -10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.831 -7.276 -10.731 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.971 -9.259 -9.218 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.555 -8.917 -9.165 1.00 0.00 C ATOM 1464 C LYS A 99 -2.259 -7.691 -10.023 1.00 0.00 C ATOM 1465 O LYS A 99 -1.796 -6.667 -9.520 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.706 -10.100 -9.638 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.217 -9.912 -9.403 1.00 0.00 C ATOM 1468 CD LYS A 99 0.142 -10.082 -7.936 1.00 0.00 C ATOM 1469 CE LYS A 99 1.648 -10.075 -7.727 1.00 0.00 C ATOM 1470 NZ LYS A 99 2.035 -10.748 -6.456 1.00 0.00 N ATOM 0 H LYS A 99 -4.162 -10.261 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.301 -8.685 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.036 -11.002 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.880 -10.259 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.340 -10.633 -10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.083 -8.919 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.311 -9.279 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.274 -11.019 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.133 -10.575 -8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.009 -9.046 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.609 -10.099 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.179 -11.013 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.588 -11.603 -6.670 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.531 -7.802 -11.319 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.295 -6.701 -12.246 1.00 0.00 C ATOM 1486 C LEU A 100 -2.839 -5.391 -11.686 1.00 0.00 C ATOM 1487 O LEU A 100 -2.077 -4.487 -11.343 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.945 -6.999 -13.599 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.263 -8.072 -14.449 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.191 -8.543 -15.558 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -0.960 -7.543 -15.030 1.00 0.00 C ATOM 0 H LEU A 100 -2.915 -8.643 -11.751 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.218 -6.598 -12.381 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.977 -7.303 -13.425 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.978 -6.074 -14.175 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.033 -8.924 -13.809 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.689 -9.306 -16.153 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.097 -8.961 -15.121 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.452 -7.699 -16.197 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.488 -8.320 -15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.167 -6.675 -15.655 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.290 -7.255 -14.219 1.00 0.00 H new ATOM 1503 N SER A 101 -4.162 -5.296 -11.594 1.00 0.00 N ATOM 1504 CA SER A 101 -4.808 -4.096 -11.077 1.00 0.00 C ATOM 1505 C SER A 101 -4.062 -3.559 -9.859 1.00 0.00 C ATOM 1506 O SER A 101 -3.680 -2.390 -9.817 1.00 0.00 O ATOM 1507 CB SER A 101 -6.263 -4.393 -10.707 1.00 0.00 C ATOM 1508 OG SER A 101 -7.096 -4.365 -11.853 1.00 0.00 O ATOM 0 H SER A 101 -4.807 -6.036 -11.871 1.00 0.00 H new ATOM 0 HA SER A 101 -4.787 -3.337 -11.859 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.328 -5.371 -10.230 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.614 -3.660 -9.980 1.00 0.00 H new ATOM 0 HG SER A 101 -8.020 -4.559 -11.591 1.00 0.00 H new ATOM 1514 N MET A 102 -3.859 -4.423 -8.869 1.00 0.00 N ATOM 1515 CA MET A 102 -3.158 -4.036 -7.651 1.00 0.00 C ATOM 1516 C MET A 102 -1.796 -3.430 -7.976 1.00 0.00 C ATOM 1517 O MET A 102 -1.550 -2.254 -7.709 1.00 0.00 O ATOM 1518 CB MET A 102 -2.984 -5.247 -6.731 1.00 0.00 C ATOM 1519 CG MET A 102 -4.266 -5.666 -6.030 1.00 0.00 C ATOM 1520 SD MET A 102 -4.915 -4.383 -4.943 1.00 0.00 S ATOM 1521 CE MET A 102 -3.680 -4.382 -3.645 1.00 0.00 C ATOM 0 H MET A 102 -4.170 -5.394 -8.887 1.00 0.00 H new ATOM 0 HA MET A 102 -3.758 -3.283 -7.140 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.608 -6.086 -7.316 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.227 -5.017 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.018 -5.918 -6.777 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.079 -6.569 -5.449 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.020 -3.757 -2.819 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.525 -5.401 -3.289 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.742 -3.988 -4.036 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.915 -4.241 -8.553 1.00 0.00 N ATOM 1532 CA VAL A 103 0.421 -3.784 -8.915 1.00 0.00 C ATOM 1533 C VAL A 103 0.371 -2.419 -9.591 1.00 0.00 C ATOM 1534 O VAL A 103 0.898 -1.437 -9.069 1.00 0.00 O ATOM 1535 CB VAL A 103 1.121 -4.784 -9.854 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.451 -4.225 -10.335 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.317 -6.122 -9.156 1.00 0.00 C ATOM 0 H VAL A 103 -1.103 -5.218 -8.780 1.00 0.00 H new ATOM 0 HA VAL A 103 0.990 -3.707 -7.989 1.00 0.00 H new ATOM 0 HB VAL A 103 0.485 -4.943 -10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.931 -4.946 -10.997 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.280 -3.294 -10.875 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.097 -4.034 -9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.813 -6.817 -9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.931 -5.982 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.347 -6.527 -8.867 1.00 0.00 H new ATOM 1547 N MET A 104 -0.267 -2.365 -10.756 1.00 0.00 N ATOM 1548 CA MET A 104 -0.388 -1.118 -11.503 1.00 0.00 C ATOM 1549 C MET A 104 -0.715 0.045 -10.572 1.00 0.00 C ATOM 1550 O MET A 104 -0.017 1.059 -10.561 1.00 0.00 O ATOM 1551 CB MET A 104 -1.469 -1.246 -12.578 1.00 0.00 C ATOM 1552 CG MET A 104 -1.097 -2.198 -13.703 1.00 0.00 C ATOM 1553 SD MET A 104 -2.100 -1.952 -15.182 1.00 0.00 S ATOM 1554 CE MET A 104 -3.474 -3.051 -14.846 1.00 0.00 C ATOM 0 H MET A 104 -0.708 -3.169 -11.203 1.00 0.00 H new ATOM 0 HA MET A 104 0.570 -0.917 -11.983 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.393 -1.589 -12.113 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.670 -0.261 -12.998 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.045 -2.063 -13.955 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.212 -3.225 -13.357 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.421 -3.914 -15.510 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.426 -3.387 -13.810 1.00 0.00 H new ATOM 0 HE3 MET A 104 -4.412 -2.522 -15.013 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.780 -0.109 -9.793 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.201 0.930 -8.861 1.00 0.00 C ATOM 1566 C TYR A 105 -1.088 1.258 -7.871 1.00 0.00 C ATOM 1567 O TYR A 105 -0.555 2.368 -7.863 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.456 0.488 -8.106 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.848 1.423 -6.984 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.475 2.634 -7.250 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.593 1.095 -5.658 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.835 3.492 -6.228 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -3.950 1.946 -4.630 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.570 3.143 -4.920 1.00 0.00 C ATOM 1575 OH TYR A 105 -4.927 3.994 -3.899 1.00 0.00 O ATOM 0 H TYR A 105 -2.367 -0.943 -9.789 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.427 1.828 -9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.285 0.411 -8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.291 -0.509 -7.697 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.685 2.910 -8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.107 0.158 -5.427 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.321 4.430 -6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.745 1.675 -3.605 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.120 4.328 -3.454 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.740 0.283 -7.038 1.00 0.00 N ATOM 1586 CA LEU A 106 0.311 0.465 -6.043 1.00 0.00 C ATOM 1587 C LEU A 106 1.490 1.235 -6.631 1.00 0.00 C ATOM 1588 O LEU A 106 1.954 2.218 -6.054 1.00 0.00 O ATOM 1589 CB LEU A 106 0.784 -0.891 -5.517 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.169 -1.609 -4.561 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.245 -3.062 -4.386 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.212 -0.899 -3.216 1.00 0.00 C ATOM 0 H LEU A 106 -1.170 -0.642 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.102 1.044 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.972 -1.544 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.738 -0.749 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.170 -1.587 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.445 -3.557 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.222 -3.566 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.255 -3.106 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.895 -1.424 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.786 -0.888 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.558 0.125 -3.356 1.00 0.00 H new ATOM 1604 N THR A 107 1.969 0.781 -7.785 1.00 0.00 N ATOM 1605 CA THR A 107 3.092 1.426 -8.453 1.00 0.00 C ATOM 1606 C THR A 107 3.050 2.938 -8.262 1.00 0.00 C ATOM 1607 O THR A 107 4.067 3.563 -7.963 1.00 0.00 O ATOM 1608 CB THR A 107 3.107 1.110 -9.960 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.320 -0.291 -10.165 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.196 1.902 -10.668 1.00 0.00 C ATOM 0 H THR A 107 1.596 -0.031 -8.276 1.00 0.00 H new ATOM 0 HA THR A 107 4.000 1.030 -7.998 1.00 0.00 H new ATOM 0 HB THR A 107 2.142 1.395 -10.378 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.543 -0.791 -9.839 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.187 1.662 -11.731 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.015 2.969 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.167 1.643 -10.246 1.00 0.00 H new ATOM 1618 N GLN A 108 1.868 3.519 -8.437 1.00 0.00 N ATOM 1619 CA GLN A 108 1.694 4.959 -8.285 1.00 0.00 C ATOM 1620 C GLN A 108 2.388 5.460 -7.022 1.00 0.00 C ATOM 1621 O GLN A 108 3.170 6.409 -7.066 1.00 0.00 O ATOM 1622 CB GLN A 108 0.207 5.313 -8.238 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.506 5.119 -9.567 1.00 0.00 C ATOM 1624 CD GLN A 108 -2.005 5.318 -9.459 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.556 6.280 -9.995 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -2.675 4.406 -8.763 1.00 0.00 N ATOM 0 H GLN A 108 1.016 3.015 -8.684 1.00 0.00 H new ATOM 0 HA GLN A 108 2.149 5.447 -9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.280 4.699 -7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.099 6.351 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.102 5.820 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.302 4.116 -9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.178 3.625 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.686 4.487 -8.656 1.00 0.00 H new ATOM 1635 N PHE A 109 2.095 4.815 -5.897 1.00 0.00 N ATOM 1636 CA PHE A 109 2.690 5.196 -4.621 1.00 0.00 C ATOM 1637 C PHE A 109 4.210 5.081 -4.674 1.00 0.00 C ATOM 1638 O PHE A 109 4.928 5.981 -4.236 1.00 0.00 O ATOM 1639 CB PHE A 109 2.139 4.319 -3.495 1.00 0.00 C ATOM 1640 CG PHE A 109 0.721 4.644 -3.121 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.338 4.019 -3.759 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.448 5.573 -2.130 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.644 4.317 -3.416 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -0.855 5.875 -1.783 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.903 5.245 -2.427 1.00 0.00 C ATOM 0 H PHE A 109 1.450 4.027 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 109 2.429 6.236 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.196 3.274 -3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.773 4.430 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.141 3.291 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.263 6.067 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.461 3.824 -3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.054 6.602 -1.010 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.922 5.478 -2.157 1.00 0.00 H new ATOM 1655 N TYR A 110 4.695 3.967 -5.212 1.00 0.00 N ATOM 1656 CA TYR A 110 6.130 3.732 -5.319 1.00 0.00 C ATOM 1657 C TYR A 110 6.797 4.810 -6.167 1.00 0.00 C ATOM 1658 O TYR A 110 7.654 5.551 -5.686 1.00 0.00 O ATOM 1659 CB TYR A 110 6.398 2.353 -5.925 1.00 0.00 C ATOM 1660 CG TYR A 110 7.707 2.265 -6.675 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.882 1.909 -6.023 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.770 2.537 -8.036 1.00 0.00 C ATOM 1663 CE1 TYR A 110 10.080 1.828 -6.704 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.965 2.457 -8.726 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.117 2.103 -8.055 1.00 0.00 C ATOM 1666 OH TYR A 110 11.309 2.022 -8.738 1.00 0.00 O ATOM 0 H TYR A 110 4.115 3.213 -5.581 1.00 0.00 H new ATOM 0 HA TYR A 110 6.554 3.770 -4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.395 1.609 -5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.583 2.099 -6.603 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.857 1.692 -4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.870 2.816 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.984 1.551 -6.182 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.997 2.670 -9.784 1.00 0.00 H new ATOM 0 HH TYR A 110 11.162 2.245 -9.681 1.00 0.00 H new ATOM 1676 N GLU A 111 6.396 4.892 -7.432 1.00 0.00 N ATOM 1677 CA GLU A 111 6.955 5.879 -8.348 1.00 0.00 C ATOM 1678 C GLU A 111 6.889 7.279 -7.745 1.00 0.00 C ATOM 1679 O GLU A 111 7.571 8.196 -8.201 1.00 0.00 O ATOM 1680 CB GLU A 111 6.207 5.851 -9.682 1.00 0.00 C ATOM 1681 CG GLU A 111 6.431 4.577 -10.479 1.00 0.00 C ATOM 1682 CD GLU A 111 6.144 4.755 -11.957 1.00 0.00 C ATOM 1683 OE1 GLU A 111 4.962 4.660 -12.348 1.00 0.00 O ATOM 1684 OE2 GLU A 111 7.102 4.990 -12.723 1.00 0.00 O ATOM 0 H GLU A 111 5.686 4.287 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 111 8.001 5.625 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.140 5.968 -9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.520 6.705 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.462 4.249 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.793 3.787 -10.081 1.00 0.00 H new ATOM 1691 N MET A 112 6.062 7.435 -6.716 1.00 0.00 N ATOM 1692 CA MET A 112 5.907 8.723 -6.049 1.00 0.00 C ATOM 1693 C MET A 112 6.948 8.895 -4.948 1.00 0.00 C ATOM 1694 O MET A 112 7.458 9.994 -4.727 1.00 0.00 O ATOM 1695 CB MET A 112 4.500 8.851 -5.461 1.00 0.00 C ATOM 1696 CG MET A 112 4.273 10.150 -4.706 1.00 0.00 C ATOM 1697 SD MET A 112 3.777 11.505 -5.787 1.00 0.00 S ATOM 1698 CE MET A 112 2.080 11.052 -6.141 1.00 0.00 C ATOM 0 H MET A 112 5.489 6.686 -6.326 1.00 0.00 H new ATOM 0 HA MET A 112 6.056 9.508 -6.791 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.770 8.777 -6.267 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.319 8.013 -4.788 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.505 9.996 -3.948 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.188 10.425 -4.181 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.547 11.917 -6.536 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.064 10.248 -6.877 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.595 10.715 -5.225 1.00 0.00 H new ATOM 1708 N PHE A 113 7.261 7.802 -4.260 1.00 0.00 N ATOM 1709 CA PHE A 113 8.241 7.832 -3.181 1.00 0.00 C ATOM 1710 C PHE A 113 9.416 6.908 -3.488 1.00 0.00 C ATOM 1711 O PHE A 113 9.980 6.281 -2.590 1.00 0.00 O ATOM 1712 CB PHE A 113 7.588 7.423 -1.859 1.00 0.00 C ATOM 1713 CG PHE A 113 6.302 8.146 -1.577 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.268 9.531 -1.524 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.128 7.442 -1.364 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.086 10.198 -1.264 1.00 0.00 C ATOM 1717 CE2 PHE A 113 3.943 8.104 -1.104 1.00 0.00 C ATOM 1718 CZ PHE A 113 3.922 9.484 -1.055 1.00 0.00 C ATOM 0 H PHE A 113 6.850 6.884 -4.431 1.00 0.00 H new ATOM 0 HA PHE A 113 8.616 8.852 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.397 6.350 -1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.287 7.611 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.175 10.094 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.139 6.363 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.072 11.277 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.035 7.543 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 113 2.997 10.004 -0.854 1.00 0.00 H new ATOM 1728 N LYS A 114 9.781 6.828 -4.763 1.00 0.00 N ATOM 1729 CA LYS A 114 10.889 5.982 -5.191 1.00 0.00 C ATOM 1730 C LYS A 114 12.216 6.723 -5.072 1.00 0.00 C ATOM 1731 O LYS A 114 13.239 6.132 -4.725 1.00 0.00 O ATOM 1732 CB LYS A 114 10.677 5.521 -6.635 1.00 0.00 C ATOM 1733 CG LYS A 114 10.857 6.628 -7.659 1.00 0.00 C ATOM 1734 CD LYS A 114 10.868 6.080 -9.076 1.00 0.00 C ATOM 1735 CE LYS A 114 10.866 7.199 -10.106 1.00 0.00 C ATOM 1736 NZ LYS A 114 11.496 6.775 -11.387 1.00 0.00 N ATOM 0 H LYS A 114 9.325 7.339 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 114 10.921 5.109 -4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.377 4.715 -6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.673 5.107 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.052 7.355 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.790 7.156 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.749 5.454 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.997 5.443 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.841 7.518 -10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.400 8.061 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.214 7.428 -12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.531 6.788 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.184 5.812 -11.625 1.00 0.00 H new ATOM 1750 N ASP A 115 12.193 8.020 -5.360 1.00 0.00 N ATOM 1751 CA ASP A 115 13.395 8.842 -5.282 1.00 0.00 C ATOM 1752 C ASP A 115 13.720 9.194 -3.834 1.00 0.00 C ATOM 1753 O ASP A 115 14.871 9.105 -3.407 1.00 0.00 O ATOM 1754 CB ASP A 115 13.217 10.121 -6.103 1.00 0.00 C ATOM 1755 CG ASP A 115 12.469 11.198 -5.342 1.00 0.00 C ATOM 1756 OD1 ASP A 115 11.299 10.962 -4.976 1.00 0.00 O ATOM 1757 OD2 ASP A 115 13.055 12.276 -5.112 1.00 0.00 O ATOM 0 H ASP A 115 11.355 8.525 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 115 14.226 8.268 -5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.196 10.500 -6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.678 9.888 -7.021 1.00 0.00 H new ATOM 1762 N SER A 116 12.699 9.595 -3.084 1.00 0.00 N ATOM 1763 CA SER A 116 12.877 9.965 -1.685 1.00 0.00 C ATOM 1764 C SER A 116 13.904 9.060 -1.010 1.00 0.00 C ATOM 1765 O SER A 116 14.825 9.534 -0.347 1.00 0.00 O ATOM 1766 CB SER A 116 11.543 9.885 -0.940 1.00 0.00 C ATOM 1767 OG SER A 116 11.674 10.348 0.393 1.00 0.00 O ATOM 0 H SER A 116 11.740 9.672 -3.422 1.00 0.00 H new ATOM 0 HA SER A 116 13.243 10.991 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.795 10.480 -1.463 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.186 8.855 -0.937 1.00 0.00 H new ATOM 0 HG SER A 116 11.122 9.797 0.986 1.00 0.00 H new ATOM 1773 N GLY A 117 13.737 7.753 -1.185 1.00 0.00 N ATOM 1774 CA GLY A 117 14.656 6.801 -0.587 1.00 0.00 C ATOM 1775 C GLY A 117 16.065 6.938 -1.128 1.00 0.00 C ATOM 1776 O GLY A 117 16.317 7.669 -2.086 1.00 0.00 O ATOM 0 H GLY A 117 12.982 7.336 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.670 6.943 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.296 5.789 -0.771 1.00 0.00 H new ATOM 1780 N PRO A 118 17.014 6.223 -0.506 1.00 0.00 N ATOM 1781 CA PRO A 118 18.422 6.253 -0.913 1.00 0.00 C ATOM 1782 C PRO A 118 18.651 5.570 -2.257 1.00 0.00 C ATOM 1783 O PRO A 118 19.401 6.068 -3.097 1.00 0.00 O ATOM 1784 CB PRO A 118 19.130 5.484 0.205 1.00 0.00 C ATOM 1785 CG PRO A 118 18.085 4.584 0.768 1.00 0.00 C ATOM 1786 CD PRO A 118 16.785 5.331 0.643 1.00 0.00 C ATOM 0 HA PRO A 118 18.787 7.272 -1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.976 4.915 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 118 19.521 6.161 0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 118 18.047 3.641 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 118 18.298 4.342 1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.948 4.655 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 118 16.555 5.893 1.548 1.00 0.00 H new ATOM 1794 N SER A 119 18.001 4.427 -2.453 1.00 0.00 N ATOM 1795 CA SER A 119 18.137 3.674 -3.695 1.00 0.00 C ATOM 1796 C SER A 119 17.744 4.530 -4.895 1.00 0.00 C ATOM 1797 O SER A 119 16.747 5.251 -4.857 1.00 0.00 O ATOM 1798 CB SER A 119 17.273 2.413 -3.648 1.00 0.00 C ATOM 1799 OG SER A 119 17.494 1.601 -4.789 1.00 0.00 O ATOM 0 H SER A 119 17.375 4.002 -1.768 1.00 0.00 H new ATOM 0 HA SER A 119 19.182 3.385 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 119 17.500 1.846 -2.745 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.220 2.691 -3.594 1.00 0.00 H new ATOM 0 HG SER A 119 16.932 0.800 -4.735 1.00 0.00 H new ATOM 1805 N SER A 120 18.534 4.444 -5.960 1.00 0.00 N ATOM 1806 CA SER A 120 18.272 5.212 -7.171 1.00 0.00 C ATOM 1807 C SER A 120 17.110 4.610 -7.956 1.00 0.00 C ATOM 1808 O SER A 120 16.646 3.512 -7.654 1.00 0.00 O ATOM 1809 CB SER A 120 19.524 5.263 -8.049 1.00 0.00 C ATOM 1810 OG SER A 120 19.510 6.404 -8.890 1.00 0.00 O ATOM 0 H SER A 120 19.361 3.850 -6.009 1.00 0.00 H new ATOM 0 HA SER A 120 18.002 6.226 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 120 20.413 5.282 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 120 19.583 4.360 -8.657 1.00 0.00 H new ATOM 0 HG SER A 120 20.321 6.415 -9.440 1.00 0.00 H new ATOM 1816 N GLY A 121 16.645 5.339 -8.966 1.00 0.00 N ATOM 1817 CA GLY A 121 15.542 4.862 -9.779 1.00 0.00 C ATOM 1818 C GLY A 121 15.026 5.920 -10.734 1.00 0.00 C ATOM 1819 O GLY A 121 15.794 6.504 -11.498 1.00 0.00 O ATOM 0 H GLY A 121 17.013 6.251 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 121 15.864 3.990 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 121 14.730 4.536 -9.129 1.00 0.00 H new TER 1823 GLY A 121