USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 931 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 37 SER OG : rot -123:sc= 0.187 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot 157:sc= 1.18 USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.021 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.707! 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 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.0129 (180deg=-0.216) USER MOD Single : A 11 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.67) USER MOD Single : A 14 MET CE :methyl 180:sc= -2.22 (180deg=-2.22) USER MOD Single : A 15 MET CE :methyl -144:sc=-0.00656 (180deg=-1.82) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0105) USER MOD Single : A 17 LYS NZ :NH3+ -106:sc= 2.85 (180deg=0.0606) USER MOD Single : A 19 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.067) USER MOD Single : A 22 LYS NZ :NH3+ 125:sc= -0.025 (180deg=-0.282) USER MOD Single : A 23 ASN :FLIP amide:sc= -1 F(o=-1.7,f=-1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.04! C(o=-2!,f=-5.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -5.16! C(o=-5.2!,f=-5.3!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 29:sc= 0.0434 USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 0.552 (180deg=0.214) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= -0.0341 (180deg=-0.18) USER MOD Single : A 70 CYS SG : rot -134:sc= -2.44 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -100:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -157:sc= -0.0749 (180deg=-0.484) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.0003) USER MOD Single : A 96 GLN : amide:sc= -0.0678 K(o=-0.068,f=-3.1!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 100 SER OG : rot 87:sc= 0.201 USER MOD Single : A 101 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -4.85! C(o=-5.8!,f=-4.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 24:sc= 0.0472 USER MOD Single : A 114 SER OG : rot 180:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.416 16.022 12.061 1.00 0.00 N ATOM 2 CA GLY A 1 -17.541 14.913 11.729 1.00 0.00 C ATOM 3 C GLY A 1 -17.770 14.394 10.323 1.00 0.00 C ATOM 4 O GLY A 1 -18.894 14.414 9.822 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.731 15.932 13.048 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.901 16.918 11.942 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.243 16.012 11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.503 15.230 11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.699 14.104 12.442 1.00 0.00 H new ATOM 8 N SER A 2 -16.701 13.931 9.684 1.00 0.00 N ATOM 9 CA SER A 2 -16.789 13.410 8.325 1.00 0.00 C ATOM 10 C SER A 2 -16.007 12.107 8.191 1.00 0.00 C ATOM 11 O SER A 2 -14.805 12.061 8.455 1.00 0.00 O ATOM 12 CB SER A 2 -16.260 14.440 7.326 1.00 0.00 C ATOM 13 OG SER A 2 -14.843 14.453 7.308 1.00 0.00 O ATOM 0 H SER A 2 -15.764 13.906 10.085 1.00 0.00 H new ATOM 0 HA SER A 2 -17.838 13.208 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.637 14.211 6.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.632 15.430 7.588 1.00 0.00 H new ATOM 0 HG SER A 2 -14.503 13.662 7.776 1.00 0.00 H new ATOM 19 N SER A 3 -16.698 11.049 7.778 1.00 0.00 N ATOM 20 CA SER A 3 -16.070 9.743 7.612 1.00 0.00 C ATOM 21 C SER A 3 -15.696 9.502 6.153 1.00 0.00 C ATOM 22 O SER A 3 -14.532 9.271 5.829 1.00 0.00 O ATOM 23 CB SER A 3 -17.008 8.637 8.100 1.00 0.00 C ATOM 24 OG SER A 3 -17.323 8.804 9.471 1.00 0.00 O ATOM 0 H SER A 3 -17.692 11.071 7.552 1.00 0.00 H new ATOM 0 HA SER A 3 -15.159 9.726 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.924 8.646 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.540 7.665 7.947 1.00 0.00 H new ATOM 0 HG SER A 3 -17.925 8.086 9.758 1.00 0.00 H new ATOM 30 N GLY A 4 -16.694 9.558 5.276 1.00 0.00 N ATOM 31 CA GLY A 4 -16.451 9.343 3.861 1.00 0.00 C ATOM 32 C GLY A 4 -16.955 7.995 3.384 1.00 0.00 C ATOM 33 O GLY A 4 -16.305 6.972 3.596 1.00 0.00 O ATOM 0 H GLY A 4 -17.666 9.748 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.937 10.133 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.382 9.418 3.664 1.00 0.00 H new ATOM 37 N SER A 5 -18.117 7.994 2.739 1.00 0.00 N ATOM 38 CA SER A 5 -18.710 6.761 2.236 1.00 0.00 C ATOM 39 C SER A 5 -18.000 6.294 0.969 1.00 0.00 C ATOM 40 O SER A 5 -17.392 5.223 0.944 1.00 0.00 O ATOM 41 CB SER A 5 -20.200 6.966 1.953 1.00 0.00 C ATOM 42 OG SER A 5 -20.785 5.788 1.423 1.00 0.00 O ATOM 0 H SER A 5 -18.666 8.833 2.553 1.00 0.00 H new ATOM 0 HA SER A 5 -18.594 5.993 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.713 7.249 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.330 7.789 1.250 1.00 0.00 H new ATOM 0 HG SER A 5 -21.737 5.944 1.252 1.00 0.00 H new ATOM 48 N SER A 6 -18.081 7.105 -0.081 1.00 0.00 N ATOM 49 CA SER A 6 -17.449 6.774 -1.353 1.00 0.00 C ATOM 50 C SER A 6 -16.509 7.890 -1.799 1.00 0.00 C ATOM 51 O SER A 6 -16.945 9.000 -2.100 1.00 0.00 O ATOM 52 CB SER A 6 -18.512 6.528 -2.425 1.00 0.00 C ATOM 53 OG SER A 6 -18.942 5.177 -2.417 1.00 0.00 O ATOM 0 H SER A 6 -18.578 7.996 -0.076 1.00 0.00 H new ATOM 0 HA SER A 6 -16.865 5.864 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.365 7.185 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.108 6.779 -3.406 1.00 0.00 H new ATOM 0 HG SER A 6 -19.622 5.046 -3.110 1.00 0.00 H new ATOM 59 N GLY A 7 -15.216 7.585 -1.838 1.00 0.00 N ATOM 60 CA GLY A 7 -14.233 8.571 -2.248 1.00 0.00 C ATOM 61 C GLY A 7 -12.937 8.456 -1.472 1.00 0.00 C ATOM 62 O GLY A 7 -12.944 8.148 -0.280 1.00 0.00 O ATOM 0 H GLY A 7 -14.831 6.673 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.027 8.453 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.647 9.570 -2.112 1.00 0.00 H new ATOM 66 N VAL A 8 -11.819 8.701 -2.149 1.00 0.00 N ATOM 67 CA VAL A 8 -10.509 8.623 -1.515 1.00 0.00 C ATOM 68 C VAL A 8 -10.578 9.053 -0.054 1.00 0.00 C ATOM 69 O VAL A 8 -11.159 10.089 0.273 1.00 0.00 O ATOM 70 CB VAL A 8 -9.477 9.500 -2.249 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.998 10.920 -2.405 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.147 9.489 -1.510 1.00 0.00 C ATOM 0 H VAL A 8 -11.795 8.955 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.193 7.581 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.317 9.086 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.256 11.525 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.924 10.907 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.189 11.348 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.430 10.114 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.288 9.877 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.769 8.468 -1.456 1.00 0.00 H new ATOM 82 N LEU A 9 -9.981 8.252 0.822 1.00 0.00 N ATOM 83 CA LEU A 9 -9.974 8.550 2.250 1.00 0.00 C ATOM 84 C LEU A 9 -8.771 9.412 2.620 1.00 0.00 C ATOM 85 O LEU A 9 -8.892 10.373 3.380 1.00 0.00 O ATOM 86 CB LEU A 9 -9.957 7.254 3.061 1.00 0.00 C ATOM 87 CG LEU A 9 -10.936 6.168 2.613 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.564 4.828 3.227 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.362 6.550 2.985 1.00 0.00 C ATOM 0 H LEU A 9 -9.496 7.391 0.568 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.882 9.106 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.949 6.842 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.168 7.498 4.102 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.876 6.076 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.272 4.068 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.559 4.550 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.595 4.905 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.046 5.766 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.436 6.670 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.626 7.488 2.497 1.00 0.00 H new ATOM 101 N LYS A 10 -7.610 9.062 2.077 1.00 0.00 N ATOM 102 CA LYS A 10 -6.384 9.804 2.347 1.00 0.00 C ATOM 103 C LYS A 10 -5.673 10.170 1.048 1.00 0.00 C ATOM 104 O LYS A 10 -5.860 9.516 0.023 1.00 0.00 O ATOM 105 CB LYS A 10 -5.451 8.982 3.238 1.00 0.00 C ATOM 106 CG LYS A 10 -4.589 9.827 4.160 1.00 0.00 C ATOM 107 CD LYS A 10 -3.619 8.970 4.956 1.00 0.00 C ATOM 108 CE LYS A 10 -2.950 9.769 6.064 1.00 0.00 C ATOM 109 NZ LYS A 10 -2.475 11.096 5.583 1.00 0.00 N ATOM 0 H LYS A 10 -7.492 8.269 1.447 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.653 10.724 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.048 8.296 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.804 8.372 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.033 10.557 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.227 10.387 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.151 8.122 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.859 8.564 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.653 9.911 6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.107 9.204 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.787 11.485 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.022 10.987 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.283 11.745 5.500 1.00 0.00 H new ATOM 123 N GLN A 11 -4.857 11.218 1.100 1.00 0.00 N ATOM 124 CA GLN A 11 -4.117 11.669 -0.073 1.00 0.00 C ATOM 125 C GLN A 11 -2.901 12.495 0.335 1.00 0.00 C ATOM 126 O GLN A 11 -3.000 13.394 1.168 1.00 0.00 O ATOM 127 CB GLN A 11 -5.024 12.493 -0.988 1.00 0.00 C ATOM 128 CG GLN A 11 -5.644 13.700 -0.303 1.00 0.00 C ATOM 129 CD GLN A 11 -6.017 14.798 -1.280 1.00 0.00 C ATOM 130 OE1 GLN A 11 -5.431 15.881 -1.267 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.995 14.523 -2.135 1.00 0.00 N ATOM 0 H GLN A 11 -4.692 11.770 1.941 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.770 10.788 -0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.447 12.831 -1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.820 11.853 -1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.534 13.386 0.242 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.943 14.096 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.453 13.612 -2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.288 15.223 -2.817 1.00 0.00 H new ATOM 140 N GLY A 12 -1.753 12.182 -0.259 1.00 0.00 N ATOM 141 CA GLY A 12 -0.535 12.904 0.055 1.00 0.00 C ATOM 142 C GLY A 12 0.649 12.429 -0.765 1.00 0.00 C ATOM 143 O GLY A 12 0.548 11.449 -1.502 1.00 0.00 O ATOM 0 H GLY A 12 -1.646 11.441 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.692 13.968 -0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.310 12.786 1.115 1.00 0.00 H new ATOM 147 N TYR A 13 1.772 13.126 -0.637 1.00 0.00 N ATOM 148 CA TYR A 13 2.979 12.772 -1.376 1.00 0.00 C ATOM 149 C TYR A 13 3.812 11.755 -0.602 1.00 0.00 C ATOM 150 O TYR A 13 4.298 12.038 0.493 1.00 0.00 O ATOM 151 CB TYR A 13 3.813 14.023 -1.659 1.00 0.00 C ATOM 152 CG TYR A 13 3.303 14.840 -2.824 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.155 14.273 -4.084 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.968 16.179 -2.665 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.690 15.016 -5.152 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.501 16.929 -3.727 1.00 0.00 C ATOM 157 CZ TYR A 13 2.364 16.344 -4.968 1.00 0.00 C ATOM 158 OH TYR A 13 1.899 17.087 -6.028 1.00 0.00 O ATOM 0 H TYR A 13 1.872 13.939 -0.029 1.00 0.00 H new ATOM 0 HA TYR A 13 2.678 12.323 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.828 14.649 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.843 13.726 -1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.408 13.233 -4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.074 16.641 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.582 14.560 -6.125 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.244 17.969 -3.586 1.00 0.00 H new ATOM 0 HH TYR A 13 1.382 17.849 -5.692 1.00 0.00 H new ATOM 168 N MET A 14 3.974 10.570 -1.181 1.00 0.00 N ATOM 169 CA MET A 14 4.751 9.510 -0.548 1.00 0.00 C ATOM 170 C MET A 14 5.807 8.965 -1.504 1.00 0.00 C ATOM 171 O MET A 14 5.596 8.920 -2.716 1.00 0.00 O ATOM 172 CB MET A 14 3.830 8.379 -0.088 1.00 0.00 C ATOM 173 CG MET A 14 2.811 8.811 0.955 1.00 0.00 C ATOM 174 SD MET A 14 2.089 7.417 1.840 1.00 0.00 S ATOM 175 CE MET A 14 1.189 6.607 0.520 1.00 0.00 C ATOM 0 H MET A 14 3.578 10.319 -2.087 1.00 0.00 H new ATOM 0 HA MET A 14 5.256 9.933 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.304 7.976 -0.953 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.437 7.571 0.321 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.290 9.481 1.669 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.017 9.378 0.469 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.686 5.723 0.912 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.448 7.294 0.110 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.884 6.311 -0.266 1.00 0.00 H new ATOM 185 N MET A 15 6.942 8.551 -0.951 1.00 0.00 N ATOM 186 CA MET A 15 8.030 8.008 -1.756 1.00 0.00 C ATOM 187 C MET A 15 7.925 6.489 -1.858 1.00 0.00 C ATOM 188 O MET A 15 8.139 5.774 -0.879 1.00 0.00 O ATOM 189 CB MET A 15 9.382 8.397 -1.155 1.00 0.00 C ATOM 190 CG MET A 15 9.602 9.899 -1.076 1.00 0.00 C ATOM 191 SD MET A 15 11.318 10.333 -0.731 1.00 0.00 S ATOM 192 CE MET A 15 11.947 10.575 -2.390 1.00 0.00 C ATOM 0 H MET A 15 7.132 8.581 0.051 1.00 0.00 H new ATOM 0 HA MET A 15 7.951 8.429 -2.758 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.461 7.973 -0.154 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.178 7.952 -1.753 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.298 10.357 -2.017 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.963 10.315 -0.298 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.977 10.223 -2.444 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.335 10.015 -3.097 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.913 11.635 -2.641 1.00 0.00 H new ATOM 202 N LYS A 16 7.593 6.003 -3.049 1.00 0.00 N ATOM 203 CA LYS A 16 7.460 4.569 -3.280 1.00 0.00 C ATOM 204 C LYS A 16 8.752 3.986 -3.842 1.00 0.00 C ATOM 205 O LYS A 16 9.387 4.581 -4.713 1.00 0.00 O ATOM 206 CB LYS A 16 6.303 4.293 -4.243 1.00 0.00 C ATOM 207 CG LYS A 16 6.166 2.829 -4.625 1.00 0.00 C ATOM 208 CD LYS A 16 5.554 2.668 -6.006 1.00 0.00 C ATOM 209 CE LYS A 16 4.763 1.374 -6.118 1.00 0.00 C ATOM 210 NZ LYS A 16 5.627 0.177 -5.921 1.00 0.00 N ATOM 0 H LYS A 16 7.411 6.581 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 16 7.252 4.090 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.372 4.629 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.445 4.884 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.146 2.353 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.546 2.317 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.900 3.515 -6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.343 2.680 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.964 1.371 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.288 1.322 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.065 -0.685 -6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.414 0.201 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.006 0.178 -4.953 1.00 0.00 H new ATOM 224 N LYS A 17 9.137 2.818 -3.338 1.00 0.00 N ATOM 225 CA LYS A 17 10.352 2.152 -3.791 1.00 0.00 C ATOM 226 C LYS A 17 10.108 1.403 -5.097 1.00 0.00 C ATOM 227 O LYS A 17 9.628 0.271 -5.094 1.00 0.00 O ATOM 228 CB LYS A 17 10.856 1.182 -2.720 1.00 0.00 C ATOM 229 CG LYS A 17 12.365 1.006 -2.720 1.00 0.00 C ATOM 230 CD LYS A 17 12.867 0.506 -1.375 1.00 0.00 C ATOM 231 CE LYS A 17 14.386 0.433 -1.340 1.00 0.00 C ATOM 232 NZ LYS A 17 14.995 1.736 -0.955 1.00 0.00 N ATOM 0 H LYS A 17 8.624 2.313 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 17 11.110 2.915 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.540 1.540 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.385 0.211 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.650 0.301 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.843 1.956 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.515 1.169 -0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.449 -0.480 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.696 -0.336 -0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.758 0.134 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.416 2.184 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.261 2.359 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.733 1.576 -0.240 1.00 0.00 H new ATOM 246 N GLY A 18 10.444 2.043 -6.213 1.00 0.00 N ATOM 247 CA GLY A 18 10.255 1.421 -7.511 1.00 0.00 C ATOM 248 C GLY A 18 11.114 0.185 -7.692 1.00 0.00 C ATOM 249 O GLY A 18 12.007 -0.083 -6.886 1.00 0.00 O ATOM 0 H GLY A 18 10.844 2.981 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.206 1.151 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.491 2.142 -8.294 1.00 0.00 H new ATOM 253 N HIS A 19 10.845 -0.571 -8.751 1.00 0.00 N ATOM 254 CA HIS A 19 11.600 -1.786 -9.035 1.00 0.00 C ATOM 255 C HIS A 19 12.895 -1.462 -9.773 1.00 0.00 C ATOM 256 O HIS A 19 13.227 -2.099 -10.773 1.00 0.00 O ATOM 257 CB HIS A 19 10.755 -2.754 -9.864 1.00 0.00 C ATOM 258 CG HIS A 19 11.260 -4.164 -9.836 1.00 0.00 C ATOM 259 ND1 HIS A 19 11.058 -5.056 -10.868 1.00 0.00 N ATOM 260 CD2 HIS A 19 11.963 -4.835 -8.894 1.00 0.00 C ATOM 261 CE1 HIS A 19 11.614 -6.215 -10.561 1.00 0.00 C ATOM 262 NE2 HIS A 19 12.170 -6.106 -9.368 1.00 0.00 N ATOM 0 H HIS A 19 10.110 -0.364 -9.427 1.00 0.00 H new ATOM 0 HA HIS A 19 11.853 -2.257 -8.085 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.730 -2.736 -9.495 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.728 -2.407 -10.897 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.299 -4.443 -7.945 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.614 -7.100 -11.180 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.672 -6.847 -8.878 1.00 0.00 H new ATOM 271 N ARG A 20 13.621 -0.467 -9.274 1.00 0.00 N ATOM 272 CA ARG A 20 14.878 -0.056 -9.888 1.00 0.00 C ATOM 273 C ARG A 20 15.962 0.137 -8.831 1.00 0.00 C ATOM 274 O ARG A 20 15.696 0.049 -7.632 1.00 0.00 O ATOM 275 CB ARG A 20 14.686 1.239 -10.679 1.00 0.00 C ATOM 276 CG ARG A 20 13.632 1.136 -11.769 1.00 0.00 C ATOM 277 CD ARG A 20 12.253 1.512 -11.249 1.00 0.00 C ATOM 278 NE ARG A 20 11.381 2.000 -12.313 1.00 0.00 N ATOM 279 CZ ARG A 20 10.882 1.223 -13.268 1.00 0.00 C ATOM 280 NH1 ARG A 20 11.167 -0.071 -13.292 1.00 0.00 N ATOM 281 NH2 ARG A 20 10.095 1.741 -14.203 1.00 0.00 N ATOM 0 H ARG A 20 13.360 0.069 -8.446 1.00 0.00 H new ATOM 0 HA ARG A 20 15.195 -0.846 -10.569 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.408 2.037 -9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 20 15.637 1.524 -11.130 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.900 1.790 -12.599 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.610 0.119 -12.160 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.795 0.644 -10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.352 2.279 -10.481 1.00 0.00 H new ATOM 0 HE ARG A 20 11.142 2.991 -12.324 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.771 -0.473 -12.576 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.782 -0.664 -14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.873 2.736 -14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.712 1.144 -14.936 1.00 0.00 H new ATOM 295 N ARG A 21 17.183 0.400 -9.284 1.00 0.00 N ATOM 296 CA ARG A 21 18.307 0.603 -8.377 1.00 0.00 C ATOM 297 C ARG A 21 17.872 1.384 -7.140 1.00 0.00 C ATOM 298 O ARG A 21 17.039 2.286 -7.223 1.00 0.00 O ATOM 299 CB ARG A 21 19.437 1.346 -9.092 1.00 0.00 C ATOM 300 CG ARG A 21 20.643 1.615 -8.207 1.00 0.00 C ATOM 301 CD ARG A 21 21.697 2.434 -8.935 1.00 0.00 C ATOM 302 NE ARG A 21 22.770 2.865 -8.042 1.00 0.00 N ATOM 303 CZ ARG A 21 23.684 3.770 -8.375 1.00 0.00 C ATOM 304 NH1 ARG A 21 23.655 4.336 -9.573 1.00 0.00 N ATOM 305 NH2 ARG A 21 24.629 4.110 -7.507 1.00 0.00 N ATOM 0 H ARG A 21 17.420 0.478 -10.273 1.00 0.00 H new ATOM 0 HA ARG A 21 18.668 -0.375 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 21 19.754 0.763 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 21 19.055 2.294 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 21 20.326 2.145 -7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 21 21.076 0.669 -7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 21 22.118 1.842 -9.748 1.00 0.00 H new ATOM 0 HD3 ARG A 21 21.228 3.308 -9.387 1.00 0.00 H new ATOM 0 HE ARG A 21 22.820 2.448 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 21 22.930 4.077 -10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 21 24.358 5.031 -9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 21 24.654 3.676 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 21 25.331 4.805 -7.763 1.00 0.00 H new ATOM 319 N LYS A 22 18.443 1.030 -5.994 1.00 0.00 N ATOM 320 CA LYS A 22 18.117 1.697 -4.739 1.00 0.00 C ATOM 321 C LYS A 22 17.876 3.187 -4.961 1.00 0.00 C ATOM 322 O LYS A 22 18.792 3.927 -5.314 1.00 0.00 O ATOM 323 CB LYS A 22 19.244 1.498 -3.723 1.00 0.00 C ATOM 324 CG LYS A 22 19.318 0.087 -3.165 1.00 0.00 C ATOM 325 CD LYS A 22 20.742 -0.292 -2.795 1.00 0.00 C ATOM 326 CE LYS A 22 21.226 0.480 -1.577 1.00 0.00 C ATOM 327 NZ LYS A 22 20.461 0.120 -0.351 1.00 0.00 N ATOM 0 H LYS A 22 19.134 0.285 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 22 17.202 1.253 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 22 20.195 1.743 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.107 2.199 -2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.679 0.009 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.933 -0.617 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 22 20.794 -1.362 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.403 -0.094 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.285 0.278 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.130 1.550 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.121 -0.184 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.925 0.948 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.802 -0.655 -0.568 1.00 0.00 H new ATOM 341 N ASN A 23 16.637 3.619 -4.749 1.00 0.00 N ATOM 342 CA ASN A 23 16.276 5.021 -4.926 1.00 0.00 C ATOM 343 C ASN A 23 14.833 5.270 -4.495 1.00 0.00 C ATOM 344 O ASN A 23 14.048 4.333 -4.352 1.00 0.00 O ATOM 345 CB ASN A 23 16.463 5.438 -6.386 1.00 0.00 C ATOM 346 CG ASN A 23 16.067 6.881 -6.631 1.00 0.00 C ATOM 347 OD1 ASN A 23 16.706 7.799 -5.914 1.00 0.00 O flip ATOM 348 ND2 ASN A 23 15.199 7.168 -7.455 1.00 0.00 N flip ATOM 0 H ASN A 23 15.867 3.019 -4.455 1.00 0.00 H new ATOM 0 HA ASN A 23 16.933 5.621 -4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 23 17.506 5.297 -6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 23 15.867 4.787 -7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.734 6.430 -7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.945 8.144 -7.609 1.00 0.00 H new ATOM 355 N TRP A 24 14.494 6.537 -4.290 1.00 0.00 N ATOM 356 CA TRP A 24 13.145 6.910 -3.876 1.00 0.00 C ATOM 357 C TRP A 24 12.610 8.053 -4.731 1.00 0.00 C ATOM 358 O TRP A 24 13.356 8.950 -5.126 1.00 0.00 O ATOM 359 CB TRP A 24 13.136 7.312 -2.401 1.00 0.00 C ATOM 360 CG TRP A 24 13.436 6.174 -1.473 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.650 5.849 -0.940 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.504 5.211 -0.969 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.530 4.741 -0.137 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.223 4.331 -0.137 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.132 5.007 -1.139 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.615 3.265 0.521 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.530 3.948 -0.486 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.270 3.089 0.337 1.00 0.00 C ATOM 0 H TRP A 24 15.133 7.324 -4.403 1.00 0.00 H new ATOM 0 HA TRP A 24 12.497 6.045 -4.013 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.869 8.103 -2.243 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.160 7.727 -2.151 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.570 6.384 -1.123 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.291 4.296 0.376 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.552 5.665 -1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.184 2.601 1.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.471 3.780 -0.612 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.770 2.272 0.836 1.00 0.00 H new ATOM 379 N THR A 25 11.311 8.016 -5.015 1.00 0.00 N ATOM 380 CA THR A 25 10.676 9.048 -5.824 1.00 0.00 C ATOM 381 C THR A 25 9.342 9.475 -5.222 1.00 0.00 C ATOM 382 O THR A 25 8.519 8.637 -4.857 1.00 0.00 O ATOM 383 CB THR A 25 10.444 8.566 -7.269 1.00 0.00 C ATOM 384 OG1 THR A 25 11.676 8.109 -7.837 1.00 0.00 O ATOM 385 CG2 THR A 25 9.868 9.683 -8.126 1.00 0.00 C ATOM 0 H THR A 25 10.679 7.282 -4.696 1.00 0.00 H new ATOM 0 HA THR A 25 11.355 9.901 -5.838 1.00 0.00 H new ATOM 0 HB THR A 25 9.729 7.743 -7.244 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.519 7.803 -8.755 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.713 9.319 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.916 10.008 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.562 10.523 -8.144 1.00 0.00 H new ATOM 393 N GLU A 26 9.136 10.785 -5.123 1.00 0.00 N ATOM 394 CA GLU A 26 7.900 11.322 -4.565 1.00 0.00 C ATOM 395 C GLU A 26 6.754 11.204 -5.565 1.00 0.00 C ATOM 396 O GLU A 26 6.859 11.665 -6.702 1.00 0.00 O ATOM 397 CB GLU A 26 8.091 12.786 -4.161 1.00 0.00 C ATOM 398 CG GLU A 26 6.862 13.405 -3.517 1.00 0.00 C ATOM 399 CD GLU A 26 6.964 14.913 -3.394 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.678 15.528 -4.214 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.330 15.477 -2.478 1.00 0.00 O ATOM 0 H GLU A 26 9.808 11.492 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 26 7.647 10.738 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.929 12.856 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.359 13.366 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.981 13.151 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.719 12.972 -2.527 1.00 0.00 H new ATOM 408 N ARG A 27 5.662 10.583 -5.134 1.00 0.00 N ATOM 409 CA ARG A 27 4.497 10.402 -5.992 1.00 0.00 C ATOM 410 C ARG A 27 3.205 10.592 -5.202 1.00 0.00 C ATOM 411 O ARG A 27 3.209 10.565 -3.971 1.00 0.00 O ATOM 412 CB ARG A 27 4.517 9.012 -6.629 1.00 0.00 C ATOM 413 CG ARG A 27 5.242 8.964 -7.964 1.00 0.00 C ATOM 414 CD ARG A 27 4.718 7.839 -8.843 1.00 0.00 C ATOM 415 NE ARG A 27 5.731 7.358 -9.778 1.00 0.00 N ATOM 416 CZ ARG A 27 6.722 6.543 -9.434 1.00 0.00 C ATOM 417 NH1 ARG A 27 6.831 6.120 -8.182 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.605 6.149 -10.342 1.00 0.00 N ATOM 0 H ARG A 27 5.559 10.196 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 27 4.536 11.155 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.993 8.313 -5.941 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.491 8.671 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.120 9.917 -8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.310 8.827 -7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.384 7.014 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.848 8.189 -9.399 1.00 0.00 H new ATOM 0 HE ARG A 27 5.675 7.665 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.153 6.420 -7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.593 5.494 -7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.524 6.472 -11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.365 5.523 -10.076 1.00 0.00 H new ATOM 432 N TRP A 28 2.103 10.785 -5.917 1.00 0.00 N ATOM 433 CA TRP A 28 0.804 10.981 -5.283 1.00 0.00 C ATOM 434 C TRP A 28 0.103 9.646 -5.056 1.00 0.00 C ATOM 435 O TRP A 28 0.050 8.802 -5.950 1.00 0.00 O ATOM 436 CB TRP A 28 -0.074 11.892 -6.142 1.00 0.00 C ATOM 437 CG TRP A 28 -1.264 12.434 -5.409 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.576 12.142 -5.648 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.249 13.361 -4.318 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.379 12.833 -4.773 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.589 13.587 -3.946 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.235 14.022 -3.619 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.938 14.446 -2.907 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.583 14.874 -2.588 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.925 15.079 -2.239 1.00 0.00 C ATOM 0 H TRP A 28 2.083 10.810 -6.936 1.00 0.00 H new ATOM 0 HA TRP A 28 0.968 11.454 -4.315 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.528 12.724 -6.509 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.416 11.337 -7.015 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.931 11.467 -6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.398 12.791 -4.744 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.802 13.870 -3.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.971 14.607 -2.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.192 15.391 -2.042 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.164 15.750 -1.427 1.00 0.00 H new ATOM 456 N PHE A 29 -0.434 9.462 -3.854 1.00 0.00 N ATOM 457 CA PHE A 29 -1.132 8.229 -3.510 1.00 0.00 C ATOM 458 C PHE A 29 -2.570 8.516 -3.090 1.00 0.00 C ATOM 459 O PHE A 29 -2.819 9.341 -2.211 1.00 0.00 O ATOM 460 CB PHE A 29 -0.396 7.499 -2.384 1.00 0.00 C ATOM 461 CG PHE A 29 0.665 6.556 -2.874 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.939 7.016 -3.164 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.388 5.209 -3.044 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.918 6.150 -3.614 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.363 4.338 -3.494 1.00 0.00 C ATOM 466 CZ PHE A 29 2.629 4.810 -3.780 1.00 0.00 C ATOM 0 H PHE A 29 -0.399 10.151 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.151 7.593 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.061 8.235 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.120 6.942 -1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.170 8.063 -3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.601 4.835 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.908 6.521 -3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.135 3.290 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.392 4.132 -4.133 1.00 0.00 H new ATOM 476 N VAL A 30 -3.515 7.831 -3.727 1.00 0.00 N ATOM 477 CA VAL A 30 -4.928 8.011 -3.420 1.00 0.00 C ATOM 478 C VAL A 30 -5.506 6.775 -2.740 1.00 0.00 C ATOM 479 O VAL A 30 -5.911 5.820 -3.403 1.00 0.00 O ATOM 480 CB VAL A 30 -5.744 8.312 -4.692 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.227 8.408 -4.365 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.252 9.592 -5.350 1.00 0.00 C ATOM 0 H VAL A 30 -3.327 7.146 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.998 8.861 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.603 7.491 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.787 8.621 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.568 7.463 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.389 9.209 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.839 9.789 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.361 10.424 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.202 9.481 -5.621 1.00 0.00 H new ATOM 492 N LEU A 31 -5.541 6.800 -1.412 1.00 0.00 N ATOM 493 CA LEU A 31 -6.070 5.681 -0.640 1.00 0.00 C ATOM 494 C LEU A 31 -7.582 5.571 -0.805 1.00 0.00 C ATOM 495 O LEU A 31 -8.323 6.498 -0.476 1.00 0.00 O ATOM 496 CB LEU A 31 -5.718 5.846 0.840 1.00 0.00 C ATOM 497 CG LEU A 31 -6.556 5.029 1.824 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.504 3.551 1.471 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.076 5.256 3.250 1.00 0.00 C ATOM 0 H LEU A 31 -5.210 7.582 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.615 4.765 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.670 5.578 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.813 6.900 1.100 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.592 5.362 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.106 2.986 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.897 3.403 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.472 3.203 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.684 4.667 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.033 4.951 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.167 6.313 3.501 1.00 0.00 H new ATOM 511 N LYS A 32 -8.035 4.431 -1.316 1.00 0.00 N ATOM 512 CA LYS A 32 -9.459 4.197 -1.522 1.00 0.00 C ATOM 513 C LYS A 32 -10.014 3.252 -0.462 1.00 0.00 C ATOM 514 O LYS A 32 -9.275 2.539 0.218 1.00 0.00 O ATOM 515 CB LYS A 32 -9.704 3.617 -2.917 1.00 0.00 C ATOM 516 CG LYS A 32 -9.906 4.674 -3.989 1.00 0.00 C ATOM 517 CD LYS A 32 -11.230 5.399 -3.816 1.00 0.00 C ATOM 518 CE LYS A 32 -11.345 6.583 -4.763 1.00 0.00 C ATOM 519 NZ LYS A 32 -11.551 6.147 -6.173 1.00 0.00 N ATOM 0 H LYS A 32 -7.436 3.654 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.975 5.153 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.858 2.988 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.582 2.973 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.088 5.394 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.872 4.206 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.052 4.706 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.325 5.745 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.176 7.216 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.441 7.189 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.625 6.983 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.746 5.563 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.427 5.590 -6.240 1.00 0.00 H new ATOM 533 N PRO A 33 -11.348 3.242 -0.316 1.00 0.00 N ATOM 534 CA PRO A 33 -12.031 2.387 0.659 1.00 0.00 C ATOM 535 C PRO A 33 -11.964 0.911 0.283 1.00 0.00 C ATOM 536 O PRO A 33 -12.021 0.037 1.147 1.00 0.00 O ATOM 537 CB PRO A 33 -13.478 2.885 0.614 1.00 0.00 C ATOM 538 CG PRO A 33 -13.631 3.482 -0.742 1.00 0.00 C ATOM 539 CD PRO A 33 -12.290 4.065 -1.092 1.00 0.00 C ATOM 0 HA PRO A 33 -11.574 2.449 1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.183 2.068 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.668 3.622 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.930 2.727 -1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.404 4.251 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.091 4.002 -2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.225 5.118 -0.817 1.00 0.00 H new ATOM 547 N ASN A 34 -11.841 0.640 -1.012 1.00 0.00 N ATOM 548 CA ASN A 34 -11.766 -0.732 -1.502 1.00 0.00 C ATOM 549 C ASN A 34 -10.612 -0.895 -2.487 1.00 0.00 C ATOM 550 O ASN A 34 -10.632 -1.783 -3.341 1.00 0.00 O ATOM 551 CB ASN A 34 -13.083 -1.129 -2.173 1.00 0.00 C ATOM 552 CG ASN A 34 -13.061 -2.554 -2.690 1.00 0.00 C ATOM 553 OD1 ASN A 34 -12.176 -3.338 -2.347 1.00 0.00 O ATOM 554 ND2 ASN A 34 -14.039 -2.896 -3.522 1.00 0.00 N ATOM 0 H ASN A 34 -11.791 1.352 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.588 -1.387 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.899 -1.017 -1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.286 -0.448 -3.000 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.077 -3.841 -3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.752 -2.213 -3.779 1.00 0.00 H new ATOM 561 N ILE A 35 -9.608 -0.034 -2.362 1.00 0.00 N ATOM 562 CA ILE A 35 -8.445 -0.084 -3.239 1.00 0.00 C ATOM 563 C ILE A 35 -7.437 1.001 -2.877 1.00 0.00 C ATOM 564 O ILE A 35 -7.658 1.785 -1.953 1.00 0.00 O ATOM 565 CB ILE A 35 -8.847 0.078 -4.717 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.798 -0.565 -5.626 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.025 1.549 -5.060 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.385 -1.214 -6.861 1.00 0.00 C ATOM 0 H ILE A 35 -9.577 0.707 -1.662 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.987 -1.063 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.799 -0.429 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.079 0.195 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.247 -1.315 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.309 1.647 -6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.805 1.977 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.088 2.079 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.584 -1.649 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.083 -1.997 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.911 -0.464 -7.451 1.00 0.00 H new ATOM 580 N ILE A 36 -6.330 1.041 -3.611 1.00 0.00 N ATOM 581 CA ILE A 36 -5.289 2.032 -3.369 1.00 0.00 C ATOM 582 C ILE A 36 -4.590 2.423 -4.667 1.00 0.00 C ATOM 583 O ILE A 36 -3.781 1.665 -5.202 1.00 0.00 O ATOM 584 CB ILE A 36 -4.238 1.512 -2.370 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.881 1.263 -1.004 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.088 2.501 -2.248 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.893 0.842 0.061 1.00 0.00 C ATOM 0 H ILE A 36 -6.131 0.399 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.780 2.908 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.841 0.567 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.388 2.172 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.644 0.491 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.354 2.119 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.617 2.633 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.468 3.460 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.419 0.683 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.404 -0.084 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.144 1.623 0.191 1.00 0.00 H new ATOM 599 N SER A 37 -4.906 3.613 -5.168 1.00 0.00 N ATOM 600 CA SER A 37 -4.311 4.105 -6.404 1.00 0.00 C ATOM 601 C SER A 37 -3.155 5.057 -6.109 1.00 0.00 C ATOM 602 O SER A 37 -2.977 5.502 -4.976 1.00 0.00 O ATOM 603 CB SER A 37 -5.365 4.814 -7.256 1.00 0.00 C ATOM 604 OG SER A 37 -4.929 4.950 -8.598 1.00 0.00 O ATOM 0 H SER A 37 -5.571 4.254 -4.736 1.00 0.00 H new ATOM 0 HA SER A 37 -3.923 3.249 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.298 4.251 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.574 5.798 -6.837 1.00 0.00 H new ATOM 0 HG SER A 37 -4.942 5.896 -8.852 1.00 0.00 H new ATOM 610 N TYR A 38 -2.372 5.363 -7.138 1.00 0.00 N ATOM 611 CA TYR A 38 -1.232 6.259 -6.990 1.00 0.00 C ATOM 612 C TYR A 38 -0.905 6.948 -8.312 1.00 0.00 C ATOM 613 O TYR A 38 -0.573 6.294 -9.301 1.00 0.00 O ATOM 614 CB TYR A 38 -0.010 5.486 -6.490 1.00 0.00 C ATOM 615 CG TYR A 38 0.426 4.376 -7.419 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.274 3.177 -7.477 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.537 4.526 -8.239 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.122 2.159 -8.323 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.939 3.515 -9.090 1.00 0.00 C ATOM 620 CZ TYR A 38 1.228 2.333 -9.128 1.00 0.00 C ATOM 621 OH TYR A 38 1.625 1.323 -9.974 1.00 0.00 O ATOM 0 H TYR A 38 -2.506 5.004 -8.083 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.496 7.022 -6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.819 6.181 -6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.234 5.062 -5.511 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.142 3.039 -6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.096 5.449 -8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.432 1.232 -8.354 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.805 3.649 -9.722 1.00 0.00 H new ATOM 0 HH TYR A 38 2.420 1.607 -10.472 1.00 0.00 H new ATOM 631 N TYR A 39 -1.001 8.273 -8.320 1.00 0.00 N ATOM 632 CA TYR A 39 -0.718 9.052 -9.520 1.00 0.00 C ATOM 633 C TYR A 39 0.605 9.799 -9.385 1.00 0.00 C ATOM 634 O TYR A 39 1.037 10.125 -8.279 1.00 0.00 O ATOM 635 CB TYR A 39 -1.852 10.044 -9.789 1.00 0.00 C ATOM 636 CG TYR A 39 -3.223 9.407 -9.801 1.00 0.00 C ATOM 637 CD1 TYR A 39 -3.829 8.992 -8.622 1.00 0.00 C ATOM 638 CD2 TYR A 39 -3.913 9.219 -10.993 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.081 8.409 -8.628 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.166 8.638 -11.009 1.00 0.00 C ATOM 641 CZ TYR A 39 -5.746 8.235 -9.824 1.00 0.00 C ATOM 642 OH TYR A 39 -6.994 7.655 -9.836 1.00 0.00 O ATOM 0 H TYR A 39 -1.272 8.830 -7.510 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.641 8.362 -10.360 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.830 10.824 -9.028 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.678 10.530 -10.749 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.312 9.128 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.462 9.533 -11.923 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.537 8.091 -7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.689 8.500 -11.944 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.324 7.607 -10.758 1.00 0.00 H new ATOM 652 N VAL A 40 1.243 10.069 -10.519 1.00 0.00 N ATOM 653 CA VAL A 40 2.517 10.779 -10.529 1.00 0.00 C ATOM 654 C VAL A 40 2.446 12.046 -9.684 1.00 0.00 C ATOM 655 O VAL A 40 3.363 12.347 -8.921 1.00 0.00 O ATOM 656 CB VAL A 40 2.939 11.154 -11.962 1.00 0.00 C ATOM 657 CG1 VAL A 40 4.265 11.899 -11.951 1.00 0.00 C ATOM 658 CG2 VAL A 40 3.024 9.910 -12.835 1.00 0.00 C ATOM 0 H VAL A 40 0.899 9.807 -11.443 1.00 0.00 H new ATOM 0 HA VAL A 40 3.260 10.103 -10.105 1.00 0.00 H new ATOM 0 HB VAL A 40 2.182 11.815 -12.384 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.547 12.156 -12.972 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.165 12.811 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.035 11.265 -11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.323 10.193 -13.844 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.760 9.222 -12.418 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.050 9.422 -12.869 1.00 0.00 H new ATOM 668 N SER A 41 1.350 12.784 -9.826 1.00 0.00 N ATOM 669 CA SER A 41 1.160 14.022 -9.077 1.00 0.00 C ATOM 670 C SER A 41 -0.221 14.059 -8.431 1.00 0.00 C ATOM 671 O SER A 41 -1.015 13.131 -8.584 1.00 0.00 O ATOM 672 CB SER A 41 1.338 15.231 -9.997 1.00 0.00 C ATOM 673 OG SER A 41 1.839 16.347 -9.281 1.00 0.00 O ATOM 0 H SER A 41 0.580 12.547 -10.452 1.00 0.00 H new ATOM 0 HA SER A 41 1.912 14.060 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.022 14.978 -10.807 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.383 15.488 -10.455 1.00 0.00 H new ATOM 0 HG SER A 41 1.945 17.106 -9.891 1.00 0.00 H new ATOM 679 N GLU A 42 -0.501 15.139 -7.708 1.00 0.00 N ATOM 680 CA GLU A 42 -1.786 15.298 -7.038 1.00 0.00 C ATOM 681 C GLU A 42 -2.828 15.877 -7.990 1.00 0.00 C ATOM 682 O GLU A 42 -3.711 16.630 -7.578 1.00 0.00 O ATOM 683 CB GLU A 42 -1.639 16.204 -5.813 1.00 0.00 C ATOM 684 CG GLU A 42 -1.452 17.671 -6.161 1.00 0.00 C ATOM 685 CD GLU A 42 -1.055 18.508 -4.960 1.00 0.00 C ATOM 686 OE1 GLU A 42 -1.943 18.842 -4.149 1.00 0.00 O ATOM 687 OE2 GLU A 42 0.145 18.830 -4.833 1.00 0.00 O ATOM 0 H GLU A 42 0.145 15.917 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.122 14.313 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.523 16.098 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.787 15.868 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.688 17.763 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.378 18.062 -6.582 1.00 0.00 H new ATOM 694 N ASP A 43 -2.719 15.519 -9.265 1.00 0.00 N ATOM 695 CA ASP A 43 -3.652 16.002 -10.276 1.00 0.00 C ATOM 696 C ASP A 43 -4.616 14.897 -10.698 1.00 0.00 C ATOM 697 O ASP A 43 -5.710 15.169 -11.194 1.00 0.00 O ATOM 698 CB ASP A 43 -2.891 16.524 -11.496 1.00 0.00 C ATOM 699 CG ASP A 43 -2.370 17.933 -11.293 1.00 0.00 C ATOM 700 OD1 ASP A 43 -1.479 18.120 -10.438 1.00 0.00 O ATOM 701 OD2 ASP A 43 -2.852 18.849 -11.991 1.00 0.00 O ATOM 0 H ASP A 43 -1.994 14.896 -9.622 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.230 16.818 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.055 15.858 -11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.547 16.504 -12.366 1.00 0.00 H new ATOM 706 N LEU A 44 -4.203 13.651 -10.498 1.00 0.00 N ATOM 707 CA LEU A 44 -5.029 12.504 -10.859 1.00 0.00 C ATOM 708 C LEU A 44 -5.281 12.465 -12.363 1.00 0.00 C ATOM 709 O LEU A 44 -6.397 12.201 -12.810 1.00 0.00 O ATOM 710 CB LEU A 44 -6.361 12.554 -10.108 1.00 0.00 C ATOM 711 CG LEU A 44 -6.279 12.879 -8.617 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.661 13.184 -8.060 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.637 11.729 -7.854 1.00 0.00 C ATOM 0 H LEU A 44 -3.301 13.409 -10.088 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.493 11.598 -10.576 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.997 13.298 -10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.856 11.590 -10.222 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.656 13.764 -8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.583 13.413 -6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.084 14.040 -8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.308 12.318 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.587 11.978 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.234 10.826 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.630 11.557 -8.234 1.00 0.00 H new ATOM 725 N LYS A 45 -4.235 12.726 -13.139 1.00 0.00 N ATOM 726 CA LYS A 45 -4.340 12.718 -14.593 1.00 0.00 C ATOM 727 C LYS A 45 -3.569 11.544 -15.188 1.00 0.00 C ATOM 728 O LYS A 45 -4.076 10.831 -16.055 1.00 0.00 O ATOM 729 CB LYS A 45 -3.812 14.033 -15.171 1.00 0.00 C ATOM 730 CG LYS A 45 -4.472 15.266 -14.579 1.00 0.00 C ATOM 731 CD LYS A 45 -5.701 15.676 -15.373 1.00 0.00 C ATOM 732 CE LYS A 45 -6.958 15.008 -14.839 1.00 0.00 C ATOM 733 NZ LYS A 45 -7.964 14.779 -15.913 1.00 0.00 N ATOM 0 H LYS A 45 -3.304 12.946 -12.785 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.392 12.610 -14.855 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.737 14.089 -15.000 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.964 14.033 -16.250 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.755 15.067 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.758 16.089 -14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.818 16.759 -15.331 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.564 15.410 -16.421 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.695 14.056 -14.378 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.396 15.630 -14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.806 14.322 -15.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.234 15.690 -16.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.555 14.165 -16.646 1.00 0.00 H new ATOM 747 N ASP A 46 -2.343 11.347 -14.716 1.00 0.00 N ATOM 748 CA ASP A 46 -1.504 10.257 -15.200 1.00 0.00 C ATOM 749 C ASP A 46 -1.421 9.136 -14.168 1.00 0.00 C ATOM 750 O ASP A 46 -0.518 9.111 -13.332 1.00 0.00 O ATOM 751 CB ASP A 46 -0.101 10.771 -15.525 1.00 0.00 C ATOM 752 CG ASP A 46 0.015 11.275 -16.950 1.00 0.00 C ATOM 753 OD1 ASP A 46 -0.326 12.452 -17.194 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.448 10.493 -17.822 1.00 0.00 O ATOM 0 H ASP A 46 -1.908 11.928 -13.999 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.957 9.859 -16.108 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.157 11.575 -14.836 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.622 9.971 -15.366 1.00 0.00 H new ATOM 759 N LYS A 47 -2.372 8.209 -14.232 1.00 0.00 N ATOM 760 CA LYS A 47 -2.408 7.085 -13.305 1.00 0.00 C ATOM 761 C LYS A 47 -1.348 6.048 -13.664 1.00 0.00 C ATOM 762 O LYS A 47 -1.163 5.715 -14.835 1.00 0.00 O ATOM 763 CB LYS A 47 -3.794 6.436 -13.312 1.00 0.00 C ATOM 764 CG LYS A 47 -3.938 5.299 -12.314 1.00 0.00 C ATOM 765 CD LYS A 47 -5.397 5.028 -11.986 1.00 0.00 C ATOM 766 CE LYS A 47 -6.061 4.179 -13.058 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.527 4.429 -13.135 1.00 0.00 N ATOM 0 H LYS A 47 -3.128 8.215 -14.917 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.196 7.464 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.543 7.197 -13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.004 6.059 -14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.482 4.397 -12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.398 5.545 -11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.466 4.521 -11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.930 5.973 -11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.605 4.393 -14.025 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.883 3.124 -12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.943 3.831 -13.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.967 4.201 -12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.697 5.430 -13.361 1.00 0.00 H new ATOM 781 N LYS A 48 -0.655 5.542 -12.650 1.00 0.00 N ATOM 782 CA LYS A 48 0.385 4.541 -12.858 1.00 0.00 C ATOM 783 C LYS A 48 -0.197 3.132 -12.805 1.00 0.00 C ATOM 784 O LYS A 48 0.083 2.301 -13.668 1.00 0.00 O ATOM 785 CB LYS A 48 1.484 4.691 -11.803 1.00 0.00 C ATOM 786 CG LYS A 48 2.496 5.776 -12.129 1.00 0.00 C ATOM 787 CD LYS A 48 3.541 5.285 -13.116 1.00 0.00 C ATOM 788 CE LYS A 48 4.157 6.438 -13.894 1.00 0.00 C ATOM 789 NZ LYS A 48 5.112 5.960 -14.931 1.00 0.00 N ATOM 0 H LYS A 48 -0.795 5.809 -11.675 1.00 0.00 H new ATOM 0 HA LYS A 48 0.815 4.700 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.024 4.913 -10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.005 3.740 -11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.981 6.642 -12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.986 6.105 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.323 4.746 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.085 4.579 -13.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.366 7.019 -14.369 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.674 7.106 -13.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.510 6.776 -15.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.880 5.427 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.614 5.343 -15.604 1.00 0.00 H new ATOM 803 N GLY A 49 -1.009 2.870 -11.785 1.00 0.00 N ATOM 804 CA GLY A 49 -1.619 1.561 -11.640 1.00 0.00 C ATOM 805 C GLY A 49 -2.693 1.538 -10.570 1.00 0.00 C ATOM 806 O GLY A 49 -3.341 2.552 -10.309 1.00 0.00 O ATOM 0 H GLY A 49 -1.255 3.541 -11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.053 1.258 -12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.849 0.830 -11.394 1.00 0.00 H new ATOM 810 N ASP A 50 -2.883 0.378 -9.951 1.00 0.00 N ATOM 811 CA ASP A 50 -3.887 0.226 -8.904 1.00 0.00 C ATOM 812 C ASP A 50 -3.589 -0.995 -8.039 1.00 0.00 C ATOM 813 O ASP A 50 -3.227 -2.055 -8.549 1.00 0.00 O ATOM 814 CB ASP A 50 -5.282 0.103 -9.519 1.00 0.00 C ATOM 815 CG ASP A 50 -5.589 1.229 -10.487 1.00 0.00 C ATOM 816 OD1 ASP A 50 -6.100 2.276 -10.037 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.317 1.063 -11.694 1.00 0.00 O ATOM 0 H ASP A 50 -2.355 -0.471 -10.156 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.855 1.113 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.364 -0.852 -10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.027 0.098 -8.724 1.00 0.00 H new ATOM 822 N ILE A 51 -3.744 -0.837 -6.729 1.00 0.00 N ATOM 823 CA ILE A 51 -3.492 -1.927 -5.794 1.00 0.00 C ATOM 824 C ILE A 51 -4.796 -2.473 -5.222 1.00 0.00 C ATOM 825 O ILE A 51 -5.325 -1.948 -4.242 1.00 0.00 O ATOM 826 CB ILE A 51 -2.585 -1.475 -4.634 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.253 -0.951 -5.173 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.355 -2.623 -3.663 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.591 0.063 -4.268 1.00 0.00 C ATOM 0 H ILE A 51 -4.043 0.034 -6.291 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.987 -2.713 -6.355 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.082 -0.666 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.575 -1.791 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.419 -0.499 -6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.712 -2.288 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.311 -2.954 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.876 -3.451 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.348 0.390 -4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.250 0.921 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.393 -0.391 -3.297 1.00 0.00 H new ATOM 841 N LEU A 52 -5.308 -3.532 -5.839 1.00 0.00 N ATOM 842 CA LEU A 52 -6.549 -4.153 -5.391 1.00 0.00 C ATOM 843 C LEU A 52 -6.445 -4.588 -3.933 1.00 0.00 C ATOM 844 O LEU A 52 -5.692 -5.505 -3.600 1.00 0.00 O ATOM 845 CB LEU A 52 -6.888 -5.357 -6.272 1.00 0.00 C ATOM 846 CG LEU A 52 -6.865 -5.112 -7.781 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.958 -6.429 -8.537 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.999 -4.181 -8.187 1.00 0.00 C ATOM 0 H LEU A 52 -4.883 -3.979 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.346 -3.414 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.185 -6.158 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.880 -5.715 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.919 -4.635 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.940 -6.235 -9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.113 -7.063 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.888 -6.934 -8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.968 -4.017 -9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.954 -4.631 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.889 -3.227 -7.672 1.00 0.00 H new ATOM 860 N LEU A 53 -7.206 -3.928 -3.068 1.00 0.00 N ATOM 861 CA LEU A 53 -7.202 -4.248 -1.644 1.00 0.00 C ATOM 862 C LEU A 53 -8.058 -5.478 -1.360 1.00 0.00 C ATOM 863 O LEU A 53 -9.147 -5.630 -1.914 1.00 0.00 O ATOM 864 CB LEU A 53 -7.714 -3.057 -0.832 1.00 0.00 C ATOM 865 CG LEU A 53 -6.710 -1.929 -0.589 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.391 -0.744 0.078 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.546 -2.424 0.257 1.00 0.00 C ATOM 0 H LEU A 53 -7.834 -3.167 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.176 -4.467 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.582 -2.640 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.059 -3.423 0.135 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.319 -1.602 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.662 0.049 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.190 -0.374 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.810 -1.056 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.842 -1.608 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.919 -2.778 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.042 -3.241 -0.260 1.00 0.00 H new ATOM 879 N ASP A 54 -7.560 -6.351 -0.492 1.00 0.00 N ATOM 880 CA ASP A 54 -8.281 -7.566 -0.131 1.00 0.00 C ATOM 881 C ASP A 54 -7.773 -8.125 1.195 1.00 0.00 C ATOM 882 O ASP A 54 -6.598 -7.981 1.531 1.00 0.00 O ATOM 883 CB ASP A 54 -8.134 -8.618 -1.231 1.00 0.00 C ATOM 884 CG ASP A 54 -8.825 -9.921 -0.883 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.068 -9.980 -0.989 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.123 -10.882 -0.503 1.00 0.00 O ATOM 0 H ASP A 54 -6.660 -6.240 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.335 -7.314 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.548 -8.228 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.075 -8.808 -1.409 1.00 0.00 H new ATOM 891 N GLU A 55 -8.668 -8.762 1.944 1.00 0.00 N ATOM 892 CA GLU A 55 -8.310 -9.341 3.234 1.00 0.00 C ATOM 893 C GLU A 55 -6.881 -9.875 3.213 1.00 0.00 C ATOM 894 O GLU A 55 -6.165 -9.800 4.210 1.00 0.00 O ATOM 895 CB GLU A 55 -9.282 -10.465 3.601 1.00 0.00 C ATOM 896 CG GLU A 55 -9.564 -11.423 2.456 1.00 0.00 C ATOM 897 CD GLU A 55 -10.122 -12.750 2.930 1.00 0.00 C ATOM 898 OE1 GLU A 55 -9.334 -13.580 3.431 1.00 0.00 O ATOM 899 OE2 GLU A 55 -11.346 -12.960 2.801 1.00 0.00 O ATOM 0 H GLU A 55 -9.645 -8.890 1.680 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.374 -8.555 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.874 -11.027 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.222 -10.026 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.271 -10.961 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.644 -11.598 1.899 1.00 0.00 H new ATOM 906 N ASN A 56 -6.475 -10.415 2.069 1.00 0.00 N ATOM 907 CA ASN A 56 -5.132 -10.964 1.917 1.00 0.00 C ATOM 908 C ASN A 56 -4.078 -9.871 2.064 1.00 0.00 C ATOM 909 O ASN A 56 -3.190 -9.959 2.913 1.00 0.00 O ATOM 910 CB ASN A 56 -4.988 -11.647 0.556 1.00 0.00 C ATOM 911 CG ASN A 56 -5.411 -13.103 0.591 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.573 -14.004 0.593 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.717 -13.338 0.620 1.00 0.00 N ATOM 0 H ASN A 56 -7.056 -10.484 1.234 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.977 -11.702 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.590 -11.114 -0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.951 -11.581 0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.062 -14.298 0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.376 -12.559 0.617 1.00 0.00 H new ATOM 920 N CYS A 57 -4.183 -8.840 1.233 1.00 0.00 N ATOM 921 CA CYS A 57 -3.240 -7.728 1.269 1.00 0.00 C ATOM 922 C CYS A 57 -3.161 -7.128 2.669 1.00 0.00 C ATOM 923 O CYS A 57 -4.144 -7.125 3.411 1.00 0.00 O ATOM 924 CB CYS A 57 -3.650 -6.651 0.262 1.00 0.00 C ATOM 925 SG CYS A 57 -3.420 -7.135 -1.479 1.00 0.00 S ATOM 0 H CYS A 57 -4.912 -8.751 0.526 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.255 -8.110 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.698 -6.399 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.072 -5.748 0.456 1.00 0.00 H new ATOM 930 N CYS A 58 -1.986 -6.620 3.023 1.00 0.00 N ATOM 931 CA CYS A 58 -1.777 -6.016 4.335 1.00 0.00 C ATOM 932 C CYS A 58 -0.527 -5.143 4.339 1.00 0.00 C ATOM 933 O CYS A 58 0.371 -5.322 3.517 1.00 0.00 O ATOM 934 CB CYS A 58 -1.659 -7.102 5.406 1.00 0.00 C ATOM 935 SG CYS A 58 -0.284 -8.247 5.148 1.00 0.00 S ATOM 0 H CYS A 58 -1.163 -6.614 2.420 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.638 -5.386 4.559 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.543 -6.626 6.380 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.589 -7.669 5.437 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.266 -9.126 6.105 1.00 0.00 H new ATOM 941 N VAL A 59 -0.476 -4.195 5.270 1.00 0.00 N ATOM 942 CA VAL A 59 0.663 -3.293 5.382 1.00 0.00 C ATOM 943 C VAL A 59 1.516 -3.632 6.599 1.00 0.00 C ATOM 944 O VAL A 59 1.002 -4.081 7.623 1.00 0.00 O ATOM 945 CB VAL A 59 0.209 -1.824 5.479 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.650 -1.612 6.716 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.413 -0.894 5.491 1.00 0.00 C ATOM 0 H VAL A 59 -1.211 -4.032 5.958 1.00 0.00 H new ATOM 0 HA VAL A 59 1.258 -3.422 4.478 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.394 -1.589 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.962 -0.569 6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.531 -2.252 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.074 -1.864 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.074 0.140 5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.044 -1.127 6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.985 -1.028 4.573 1.00 0.00 H new ATOM 957 N GLU A 60 2.822 -3.412 6.481 1.00 0.00 N ATOM 958 CA GLU A 60 3.745 -3.695 7.573 1.00 0.00 C ATOM 959 C GLU A 60 4.694 -2.522 7.800 1.00 0.00 C ATOM 960 O GLU A 60 4.942 -1.726 6.895 1.00 0.00 O ATOM 961 CB GLU A 60 4.548 -4.964 7.276 1.00 0.00 C ATOM 962 CG GLU A 60 3.694 -6.124 6.792 1.00 0.00 C ATOM 963 CD GLU A 60 4.299 -7.474 7.128 1.00 0.00 C ATOM 964 OE1 GLU A 60 5.485 -7.689 6.800 1.00 0.00 O ATOM 965 OE2 GLU A 60 3.588 -8.313 7.718 1.00 0.00 O ATOM 0 H GLU A 60 3.264 -3.039 5.641 1.00 0.00 H new ATOM 0 HA GLU A 60 3.159 -3.848 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.302 -4.739 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.080 -5.267 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.703 -6.052 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.562 -6.048 5.713 1.00 0.00 H new ATOM 972 N SER A 61 5.222 -2.422 9.016 1.00 0.00 N ATOM 973 CA SER A 61 6.140 -1.344 9.365 1.00 0.00 C ATOM 974 C SER A 61 7.589 -1.809 9.256 1.00 0.00 C ATOM 975 O SER A 61 7.953 -2.871 9.763 1.00 0.00 O ATOM 976 CB SER A 61 5.858 -0.845 10.783 1.00 0.00 C ATOM 977 OG SER A 61 5.828 -1.920 11.706 1.00 0.00 O ATOM 0 H SER A 61 5.030 -3.075 9.776 1.00 0.00 H new ATOM 0 HA SER A 61 5.985 -0.525 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.625 -0.129 11.079 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.904 -0.318 10.803 1.00 0.00 H new ATOM 0 HG SER A 61 6.417 -2.638 11.392 1.00 0.00 H new ATOM 983 N LEU A 62 8.413 -1.005 8.592 1.00 0.00 N ATOM 984 CA LEU A 62 9.823 -1.332 8.415 1.00 0.00 C ATOM 985 C LEU A 62 10.713 -0.261 9.039 1.00 0.00 C ATOM 986 O LEU A 62 10.415 0.932 8.992 1.00 0.00 O ATOM 987 CB LEU A 62 10.150 -1.481 6.928 1.00 0.00 C ATOM 988 CG LEU A 62 9.286 -2.471 6.147 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.575 -2.371 4.657 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.518 -3.890 6.643 1.00 0.00 C ATOM 0 H LEU A 62 8.128 -0.122 8.168 1.00 0.00 H new ATOM 0 HA LEU A 62 10.017 -2.279 8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.061 -0.502 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.192 -1.786 6.834 1.00 0.00 H new ATOM 0 HG LEU A 62 8.239 -2.218 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.951 -3.083 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.356 -1.361 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.625 -2.597 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.894 -4.580 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.567 -4.155 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.259 -3.953 7.700 1.00 0.00 H new ATOM 1002 N PRO A 63 11.833 -0.696 9.636 1.00 0.00 N ATOM 1003 CA PRO A 63 12.790 0.210 10.277 1.00 0.00 C ATOM 1004 C PRO A 63 13.544 1.067 9.267 1.00 0.00 C ATOM 1005 O PRO A 63 13.157 1.154 8.101 1.00 0.00 O ATOM 1006 CB PRO A 63 13.751 -0.740 10.995 1.00 0.00 C ATOM 1007 CG PRO A 63 13.666 -2.015 10.229 1.00 0.00 C ATOM 1008 CD PRO A 63 12.251 -2.104 9.730 1.00 0.00 C ATOM 0 HA PRO A 63 12.297 0.921 10.940 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.768 -0.347 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.462 -0.884 12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.373 -2.020 9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.911 -2.868 10.862 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.197 -2.605 8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.618 -2.666 10.416 1.00 0.00 H new ATOM 1016 N ASP A 64 14.622 1.698 9.720 1.00 0.00 N ATOM 1017 CA ASP A 64 15.431 2.548 8.854 1.00 0.00 C ATOM 1018 C ASP A 64 16.530 1.738 8.173 1.00 0.00 C ATOM 1019 O ASP A 64 17.304 1.044 8.831 1.00 0.00 O ATOM 1020 CB ASP A 64 16.049 3.692 9.660 1.00 0.00 C ATOM 1021 CG ASP A 64 16.758 3.205 10.908 1.00 0.00 C ATOM 1022 OD1 ASP A 64 17.784 2.506 10.773 1.00 0.00 O ATOM 1023 OD2 ASP A 64 16.286 3.521 12.020 1.00 0.00 O ATOM 0 H ASP A 64 14.956 1.637 10.682 1.00 0.00 H new ATOM 0 HA ASP A 64 14.781 2.965 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.756 4.234 9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.267 4.397 9.942 1.00 0.00 H new ATOM 1028 N LYS A 65 16.592 1.831 6.849 1.00 0.00 N ATOM 1029 CA LYS A 65 17.595 1.109 6.076 1.00 0.00 C ATOM 1030 C LYS A 65 18.425 2.068 5.229 1.00 0.00 C ATOM 1031 O LYS A 65 19.653 1.985 5.202 1.00 0.00 O ATOM 1032 CB LYS A 65 16.924 0.068 5.177 1.00 0.00 C ATOM 1033 CG LYS A 65 16.147 0.674 4.021 1.00 0.00 C ATOM 1034 CD LYS A 65 15.324 -0.375 3.292 1.00 0.00 C ATOM 1035 CE LYS A 65 13.950 -0.544 3.922 1.00 0.00 C ATOM 1036 NZ LYS A 65 13.009 -1.260 3.017 1.00 0.00 N ATOM 0 H LYS A 65 15.958 2.400 6.288 1.00 0.00 H new ATOM 0 HA LYS A 65 18.260 0.602 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.686 -0.602 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.248 -0.539 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.489 1.459 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.839 1.144 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.213 -0.089 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.852 -1.328 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.045 -1.096 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.541 0.436 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.223 -1.652 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.635 -0.596 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.511 -2.033 2.535 1.00 0.00 H new ATOM 1050 N ASP A 66 17.747 2.980 4.541 1.00 0.00 N ATOM 1051 CA ASP A 66 18.422 3.958 3.695 1.00 0.00 C ATOM 1052 C ASP A 66 18.319 5.357 4.293 1.00 0.00 C ATOM 1053 O ASP A 66 17.803 6.277 3.661 1.00 0.00 O ATOM 1054 CB ASP A 66 17.823 3.946 2.288 1.00 0.00 C ATOM 1055 CG ASP A 66 17.911 2.582 1.632 1.00 0.00 C ATOM 1056 OD1 ASP A 66 18.911 1.873 1.869 1.00 0.00 O ATOM 1057 OD2 ASP A 66 16.979 2.223 0.881 1.00 0.00 O ATOM 0 H ASP A 66 16.730 3.063 4.552 1.00 0.00 H new ATOM 0 HA ASP A 66 19.476 3.685 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.779 4.255 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.342 4.678 1.669 1.00 0.00 H new ATOM 1062 N GLY A 67 18.814 5.509 5.518 1.00 0.00 N ATOM 1063 CA GLY A 67 18.767 6.799 6.182 1.00 0.00 C ATOM 1064 C GLY A 67 17.350 7.299 6.377 1.00 0.00 C ATOM 1065 O GLY A 67 17.085 8.497 6.267 1.00 0.00 O ATOM 0 H GLY A 67 19.246 4.762 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.259 6.723 7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.328 7.527 5.596 1.00 0.00 H new ATOM 1069 N LYS A 68 16.434 6.381 6.665 1.00 0.00 N ATOM 1070 CA LYS A 68 15.035 6.734 6.875 1.00 0.00 C ATOM 1071 C LYS A 68 14.680 6.694 8.358 1.00 0.00 C ATOM 1072 O LYS A 68 15.540 6.458 9.207 1.00 0.00 O ATOM 1073 CB LYS A 68 14.125 5.782 6.096 1.00 0.00 C ATOM 1074 CG LYS A 68 14.104 6.048 4.601 1.00 0.00 C ATOM 1075 CD LYS A 68 13.388 7.348 4.276 1.00 0.00 C ATOM 1076 CE LYS A 68 13.318 7.586 2.775 1.00 0.00 C ATOM 1077 NZ LYS A 68 14.539 8.268 2.264 1.00 0.00 N ATOM 0 H LYS A 68 16.636 5.386 6.758 1.00 0.00 H new ATOM 0 HA LYS A 68 14.884 7.750 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.452 4.757 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.110 5.863 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.126 6.090 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.609 5.222 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.379 7.322 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.907 8.179 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.193 6.633 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.441 8.190 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.452 8.412 1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.645 9.189 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.374 7.680 2.462 1.00 0.00 H new ATOM 1091 N LYS A 69 13.408 6.925 8.664 1.00 0.00 N ATOM 1092 CA LYS A 69 12.938 6.913 10.044 1.00 0.00 C ATOM 1093 C LYS A 69 11.662 6.088 10.177 1.00 0.00 C ATOM 1094 O LYS A 69 11.612 5.123 10.940 1.00 0.00 O ATOM 1095 CB LYS A 69 12.688 8.341 10.533 1.00 0.00 C ATOM 1096 CG LYS A 69 13.925 9.223 10.494 1.00 0.00 C ATOM 1097 CD LYS A 69 14.105 9.869 9.131 1.00 0.00 C ATOM 1098 CE LYS A 69 15.432 10.608 9.036 1.00 0.00 C ATOM 1099 NZ LYS A 69 16.592 9.679 9.130 1.00 0.00 N ATOM 0 H LYS A 69 12.683 7.123 7.974 1.00 0.00 H new ATOM 0 HA LYS A 69 13.712 6.455 10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.909 8.795 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.310 8.305 11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.845 9.997 11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.806 8.627 10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.056 9.105 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.286 10.564 8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.478 11.152 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.494 11.348 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.448 10.156 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.733 9.398 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.407 8.833 8.554 1.00 0.00 H new ATOM 1113 N CYS A 70 10.633 6.474 9.430 1.00 0.00 N ATOM 1114 CA CYS A 70 9.357 5.769 9.464 1.00 0.00 C ATOM 1115 C CYS A 70 9.054 5.127 8.114 1.00 0.00 C ATOM 1116 O CYS A 70 8.387 5.722 7.266 1.00 0.00 O ATOM 1117 CB CYS A 70 8.231 6.730 9.849 1.00 0.00 C ATOM 1118 SG CYS A 70 7.970 6.885 11.631 1.00 0.00 S ATOM 0 H CYS A 70 10.658 7.271 8.794 1.00 0.00 H new ATOM 0 HA CYS A 70 9.425 4.981 10.214 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.452 7.715 9.438 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.305 6.392 9.385 1.00 0.00 H new ATOM 0 HG CYS A 70 6.698 6.812 11.891 1.00 0.00 H new ATOM 1124 N LEU A 71 9.550 3.910 7.920 1.00 0.00 N ATOM 1125 CA LEU A 71 9.334 3.186 6.672 1.00 0.00 C ATOM 1126 C LEU A 71 8.237 2.138 6.832 1.00 0.00 C ATOM 1127 O LEU A 71 8.018 1.616 7.925 1.00 0.00 O ATOM 1128 CB LEU A 71 10.632 2.516 6.217 1.00 0.00 C ATOM 1129 CG LEU A 71 11.615 3.405 5.454 1.00 0.00 C ATOM 1130 CD1 LEU A 71 13.041 2.918 5.654 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.264 3.441 3.974 1.00 0.00 C ATOM 0 H LEU A 71 10.104 3.404 8.611 1.00 0.00 H new ATOM 0 HA LEU A 71 9.017 3.904 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.140 2.119 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.376 1.666 5.585 1.00 0.00 H new ATOM 0 HG LEU A 71 11.540 4.418 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.726 3.563 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.290 2.946 6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.131 1.896 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.974 4.078 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.309 2.432 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.257 3.839 3.848 1.00 0.00 H new ATOM 1143 N PHE A 72 7.551 1.835 5.735 1.00 0.00 N ATOM 1144 CA PHE A 72 6.477 0.848 5.754 1.00 0.00 C ATOM 1145 C PHE A 72 6.268 0.246 4.367 1.00 0.00 C ATOM 1146 O PHE A 72 6.213 0.964 3.368 1.00 0.00 O ATOM 1147 CB PHE A 72 5.177 1.487 6.246 1.00 0.00 C ATOM 1148 CG PHE A 72 4.561 2.433 5.255 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.652 1.976 4.315 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.892 3.778 5.263 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.083 2.844 3.401 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.326 4.651 4.353 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.421 4.183 3.420 1.00 0.00 C ATOM 0 H PHE A 72 7.719 2.258 4.822 1.00 0.00 H new ATOM 0 HA PHE A 72 6.763 0.049 6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.460 0.700 6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.374 2.023 7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.385 0.930 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.601 4.149 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.375 2.475 2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.591 5.698 4.371 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.979 4.863 2.707 1.00 0.00 H new ATOM 1163 N LEU A 73 6.152 -1.076 4.315 1.00 0.00 N ATOM 1164 CA LEU A 73 5.949 -1.777 3.051 1.00 0.00 C ATOM 1165 C LEU A 73 4.603 -2.494 3.036 1.00 0.00 C ATOM 1166 O LEU A 73 4.166 -3.038 4.050 1.00 0.00 O ATOM 1167 CB LEU A 73 7.078 -2.782 2.816 1.00 0.00 C ATOM 1168 CG LEU A 73 6.900 -3.725 1.625 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.252 -4.148 1.072 1.00 0.00 C ATOM 1170 CD2 LEU A 73 6.081 -4.943 2.027 1.00 0.00 C ATOM 0 H LEU A 73 6.195 -1.684 5.133 1.00 0.00 H new ATOM 0 HA LEU A 73 5.955 -1.039 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.007 -2.229 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.194 -3.385 3.717 1.00 0.00 H new ATOM 0 HG LEU A 73 6.361 -3.192 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.105 -4.819 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.803 -3.266 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.818 -4.663 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.964 -5.603 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.592 -5.477 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.099 -4.623 2.374 1.00 0.00 H new ATOM 1182 N VAL A 74 3.950 -2.492 1.878 1.00 0.00 N ATOM 1183 CA VAL A 74 2.655 -3.145 1.730 1.00 0.00 C ATOM 1184 C VAL A 74 2.787 -4.462 0.973 1.00 0.00 C ATOM 1185 O VAL A 74 3.372 -4.514 -0.109 1.00 0.00 O ATOM 1186 CB VAL A 74 1.652 -2.240 0.991 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.397 -3.019 0.627 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.308 -1.024 1.838 1.00 0.00 C ATOM 0 H VAL A 74 4.297 -2.045 1.029 1.00 0.00 H new ATOM 0 HA VAL A 74 2.283 -3.343 2.735 1.00 0.00 H new ATOM 0 HB VAL A 74 2.115 -1.892 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.300 -2.363 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.662 -3.855 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.072 -3.398 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.598 -0.395 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.864 -1.350 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.215 -0.455 2.042 1.00 0.00 H new ATOM 1198 N LYS A 75 2.240 -5.527 1.550 1.00 0.00 N ATOM 1199 CA LYS A 75 2.294 -6.845 0.931 1.00 0.00 C ATOM 1200 C LYS A 75 0.934 -7.235 0.361 1.00 0.00 C ATOM 1201 O LYS A 75 -0.107 -6.816 0.868 1.00 0.00 O ATOM 1202 CB LYS A 75 2.750 -7.892 1.951 1.00 0.00 C ATOM 1203 CG LYS A 75 4.250 -8.131 1.947 1.00 0.00 C ATOM 1204 CD LYS A 75 4.634 -9.250 0.993 1.00 0.00 C ATOM 1205 CE LYS A 75 5.817 -10.049 1.518 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.379 -11.229 2.314 1.00 0.00 N ATOM 0 H LYS A 75 1.754 -5.502 2.446 1.00 0.00 H new ATOM 0 HA LYS A 75 3.013 -6.805 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.444 -7.574 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.240 -8.833 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.765 -7.214 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.582 -8.381 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.782 -9.913 0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.881 -8.830 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.430 -10.383 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.444 -9.406 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.214 -11.748 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.815 -10.909 3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.802 -11.855 1.717 1.00 0.00 H new ATOM 1220 N CYS A 76 0.949 -8.040 -0.696 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.282 -8.488 -1.335 1.00 0.00 C ATOM 1222 C CYS A 76 -0.154 -9.932 -1.813 1.00 0.00 C ATOM 1223 O CYS A 76 0.913 -10.538 -1.711 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.629 -7.578 -2.515 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.673 -6.152 -2.073 1.00 0.00 S ATOM 0 H CYS A 76 1.802 -8.396 -1.128 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.083 -8.438 -0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.295 -7.213 -2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.141 -8.167 -3.276 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.248 -10.476 -2.333 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.259 -11.849 -2.826 1.00 0.00 C ATOM 1232 C PHE A 77 0.092 -12.221 -3.429 1.00 0.00 C ATOM 1233 O PHE A 77 0.874 -12.953 -2.823 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.364 -12.030 -3.869 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.681 -12.450 -3.282 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.909 -13.771 -2.933 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.691 -11.523 -3.079 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.119 -14.161 -2.391 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.903 -11.907 -2.537 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.118 -13.227 -2.194 1.00 0.00 C ATOM 0 H PHE A 77 -2.139 -9.988 -2.424 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.454 -12.510 -1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.499 -11.093 -4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.046 -12.776 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.132 -14.505 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.529 -10.489 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.283 -15.194 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.682 -11.175 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.065 -13.529 -1.772 1.00 0.00 H new ATOM 1250 N ASP A 78 0.359 -11.711 -4.627 1.00 0.00 N ATOM 1251 CA ASP A 78 1.615 -11.988 -5.313 1.00 0.00 C ATOM 1252 C ASP A 78 2.409 -10.704 -5.534 1.00 0.00 C ATOM 1253 O ASP A 78 3.639 -10.721 -5.574 1.00 0.00 O ATOM 1254 CB ASP A 78 1.348 -12.674 -6.654 1.00 0.00 C ATOM 1255 CG ASP A 78 0.832 -14.090 -6.486 1.00 0.00 C ATOM 1256 OD1 ASP A 78 1.655 -14.996 -6.238 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -0.395 -14.293 -6.605 1.00 0.00 O ATOM 0 H ASP A 78 -0.278 -11.104 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 78 2.205 -12.654 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.622 -12.090 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.267 -12.692 -7.239 1.00 0.00 H new ATOM 1262 N LYS A 79 1.696 -9.592 -5.679 1.00 0.00 N ATOM 1263 CA LYS A 79 2.332 -8.298 -5.896 1.00 0.00 C ATOM 1264 C LYS A 79 2.787 -7.687 -4.574 1.00 0.00 C ATOM 1265 O LYS A 79 2.249 -8.004 -3.513 1.00 0.00 O ATOM 1266 CB LYS A 79 1.368 -7.345 -6.605 1.00 0.00 C ATOM 1267 CG LYS A 79 0.111 -7.045 -5.806 1.00 0.00 C ATOM 1268 CD LYS A 79 -1.081 -6.794 -6.715 1.00 0.00 C ATOM 1269 CE LYS A 79 -0.713 -5.883 -7.877 1.00 0.00 C ATOM 1270 NZ LYS A 79 -1.911 -5.479 -8.664 1.00 0.00 N ATOM 0 H LYS A 79 0.677 -9.561 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 79 3.208 -8.453 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.886 -6.409 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.084 -7.777 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.107 -7.881 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.279 -6.172 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.453 -7.744 -7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.890 -6.344 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.211 -4.993 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.005 -6.394 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.619 -4.859 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.376 -6.326 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.576 -4.969 -8.048 1.00 0.00 H new ATOM 1284 N THR A 80 3.782 -6.807 -4.645 1.00 0.00 N ATOM 1285 CA THR A 80 4.309 -6.151 -3.455 1.00 0.00 C ATOM 1286 C THR A 80 4.591 -4.677 -3.720 1.00 0.00 C ATOM 1287 O THR A 80 5.144 -4.317 -4.759 1.00 0.00 O ATOM 1288 CB THR A 80 5.602 -6.830 -2.966 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.457 -7.114 -4.079 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.288 -8.118 -2.220 1.00 0.00 C ATOM 0 H THR A 80 4.239 -6.533 -5.515 1.00 0.00 H new ATOM 0 HA THR A 80 3.546 -6.239 -2.681 1.00 0.00 H new ATOM 0 HB THR A 80 6.109 -6.148 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.278 -7.544 -3.760 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.217 -8.580 -1.884 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.661 -7.895 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.761 -8.804 -2.884 1.00 0.00 H new ATOM 1298 N PHE A 81 4.209 -3.827 -2.772 1.00 0.00 N ATOM 1299 CA PHE A 81 4.421 -2.390 -2.903 1.00 0.00 C ATOM 1300 C PHE A 81 5.166 -1.838 -1.692 1.00 0.00 C ATOM 1301 O PHE A 81 4.953 -2.281 -0.564 1.00 0.00 O ATOM 1302 CB PHE A 81 3.081 -1.668 -3.064 1.00 0.00 C ATOM 1303 CG PHE A 81 2.385 -1.978 -4.359 1.00 0.00 C ATOM 1304 CD1 PHE A 81 2.062 -3.284 -4.692 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.055 -0.964 -5.243 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.421 -3.572 -5.882 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.414 -1.246 -6.434 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.097 -2.552 -6.755 1.00 0.00 C ATOM 0 H PHE A 81 3.751 -4.108 -1.905 1.00 0.00 H new ATOM 0 HA PHE A 81 5.028 -2.217 -3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.428 -1.942 -2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.246 -0.593 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.314 -4.086 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.302 0.059 -4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.174 -4.594 -6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.161 -0.446 -7.114 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.597 -2.775 -7.686 1.00 0.00 H new ATOM 1318 N GLU A 82 6.042 -0.868 -1.935 1.00 0.00 N ATOM 1319 CA GLU A 82 6.820 -0.256 -0.865 1.00 0.00 C ATOM 1320 C GLU A 82 6.660 1.262 -0.875 1.00 0.00 C ATOM 1321 O GLU A 82 6.761 1.900 -1.923 1.00 0.00 O ATOM 1322 CB GLU A 82 8.299 -0.625 -1.004 1.00 0.00 C ATOM 1323 CG GLU A 82 9.075 -0.532 0.299 1.00 0.00 C ATOM 1324 CD GLU A 82 10.432 -1.203 0.219 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.609 -2.083 -0.649 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.318 -0.847 1.024 1.00 0.00 O ATOM 0 H GLU A 82 6.230 -0.489 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 82 6.446 -0.637 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.376 -1.641 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.761 0.033 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.208 0.517 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.493 -0.992 1.098 1.00 0.00 H new ATOM 1333 N ILE A 83 6.410 1.832 0.299 1.00 0.00 N ATOM 1334 CA ILE A 83 6.237 3.274 0.426 1.00 0.00 C ATOM 1335 C ILE A 83 6.981 3.812 1.643 1.00 0.00 C ATOM 1336 O ILE A 83 7.120 3.122 2.653 1.00 0.00 O ATOM 1337 CB ILE A 83 4.748 3.654 0.538 1.00 0.00 C ATOM 1338 CG1 ILE A 83 3.956 3.050 -0.623 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.589 5.167 0.566 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.510 2.764 -0.284 1.00 0.00 C ATOM 0 H ILE A 83 6.323 1.318 1.175 1.00 0.00 H new ATOM 0 HA ILE A 83 6.651 3.723 -0.477 1.00 0.00 H new ATOM 0 HB ILE A 83 4.354 3.250 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.994 3.733 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.437 2.124 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.532 5.420 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.125 5.573 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.996 5.593 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.010 2.337 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.463 2.057 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.013 3.691 0.002 1.00 0.00 H new ATOM 1352 N SER A 84 7.455 5.049 1.541 1.00 0.00 N ATOM 1353 CA SER A 84 8.187 5.680 2.633 1.00 0.00 C ATOM 1354 C SER A 84 7.480 6.949 3.099 1.00 0.00 C ATOM 1355 O SER A 84 6.816 7.627 2.315 1.00 0.00 O ATOM 1356 CB SER A 84 9.615 6.011 2.194 1.00 0.00 C ATOM 1357 OG SER A 84 10.341 6.628 3.243 1.00 0.00 O ATOM 0 H SER A 84 7.345 5.635 0.713 1.00 0.00 H new ATOM 0 HA SER A 84 8.224 4.978 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.124 5.099 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.588 6.672 1.328 1.00 0.00 H new ATOM 0 HG SER A 84 10.361 7.597 3.101 1.00 0.00 H new ATOM 1363 N ALA A 85 7.626 7.263 4.382 1.00 0.00 N ATOM 1364 CA ALA A 85 7.004 8.450 4.954 1.00 0.00 C ATOM 1365 C ALA A 85 8.052 9.399 5.525 1.00 0.00 C ATOM 1366 O ALA A 85 9.160 8.984 5.863 1.00 0.00 O ATOM 1367 CB ALA A 85 6.005 8.055 6.032 1.00 0.00 C ATOM 0 H ALA A 85 8.170 6.711 5.045 1.00 0.00 H new ATOM 0 HA ALA A 85 6.475 8.972 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.548 8.952 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.231 7.423 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.519 7.507 6.822 1.00 0.00 H new ATOM 1373 N SER A 86 7.695 10.675 5.627 1.00 0.00 N ATOM 1374 CA SER A 86 8.607 11.684 6.153 1.00 0.00 C ATOM 1375 C SER A 86 8.356 11.923 7.638 1.00 0.00 C ATOM 1376 O SER A 86 9.289 11.940 8.442 1.00 0.00 O ATOM 1377 CB SER A 86 8.451 12.995 5.380 1.00 0.00 C ATOM 1378 OG SER A 86 9.616 13.794 5.490 1.00 0.00 O ATOM 0 H SER A 86 6.781 11.035 5.352 1.00 0.00 H new ATOM 0 HA SER A 86 9.626 11.317 6.030 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.251 12.780 4.330 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.591 13.546 5.762 1.00 0.00 H new ATOM 0 HG SER A 86 9.491 14.625 4.986 1.00 0.00 H new ATOM 1384 N ASP A 87 7.090 12.107 7.996 1.00 0.00 N ATOM 1385 CA ASP A 87 6.714 12.343 9.385 1.00 0.00 C ATOM 1386 C ASP A 87 6.002 11.128 9.970 1.00 0.00 C ATOM 1387 O ASP A 87 5.176 10.500 9.306 1.00 0.00 O ATOM 1388 CB ASP A 87 5.816 13.577 9.489 1.00 0.00 C ATOM 1389 CG ASP A 87 6.389 14.774 8.758 1.00 0.00 C ATOM 1390 OD1 ASP A 87 7.631 14.878 8.669 1.00 0.00 O ATOM 1391 OD2 ASP A 87 5.596 15.608 8.273 1.00 0.00 O ATOM 0 H ASP A 87 6.306 12.097 7.343 1.00 0.00 H new ATOM 0 HA ASP A 87 7.625 12.517 9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.833 13.342 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.673 13.831 10.539 1.00 0.00 H new ATOM 1396 N LYS A 88 6.327 10.801 11.216 1.00 0.00 N ATOM 1397 CA LYS A 88 5.718 9.661 11.891 1.00 0.00 C ATOM 1398 C LYS A 88 4.206 9.652 11.689 1.00 0.00 C ATOM 1399 O LYS A 88 3.614 8.612 11.401 1.00 0.00 O ATOM 1400 CB LYS A 88 6.043 9.695 13.386 1.00 0.00 C ATOM 1401 CG LYS A 88 7.530 9.787 13.684 1.00 0.00 C ATOM 1402 CD LYS A 88 7.804 9.731 15.177 1.00 0.00 C ATOM 1403 CE LYS A 88 9.219 9.253 15.466 1.00 0.00 C ATOM 1404 NZ LYS A 88 10.217 10.347 15.309 1.00 0.00 N ATOM 0 H LYS A 88 7.009 11.309 11.779 1.00 0.00 H new ATOM 0 HA LYS A 88 6.130 8.751 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.537 10.547 13.840 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.642 8.798 13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.053 8.970 13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.927 10.716 13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.657 10.719 15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.088 9.062 15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.269 8.859 16.481 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.470 8.433 14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.169 9.981 15.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.188 10.706 14.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.993 11.119 15.969 1.00 0.00 H new ATOM 1418 N LYS A 89 3.587 10.818 11.840 1.00 0.00 N ATOM 1419 CA LYS A 89 2.144 10.946 11.672 1.00 0.00 C ATOM 1420 C LYS A 89 1.680 10.240 10.402 1.00 0.00 C ATOM 1421 O LYS A 89 0.811 9.369 10.445 1.00 0.00 O ATOM 1422 CB LYS A 89 1.745 12.422 11.622 1.00 0.00 C ATOM 1423 CG LYS A 89 0.244 12.649 11.681 1.00 0.00 C ATOM 1424 CD LYS A 89 -0.108 14.110 11.461 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.517 14.422 11.940 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.749 15.888 12.064 1.00 0.00 N ATOM 0 H LYS A 89 4.062 11.688 12.079 1.00 0.00 H new ATOM 0 HA LYS A 89 1.660 10.474 12.527 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.216 12.945 12.454 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.135 12.864 10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.247 12.038 10.924 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.136 12.324 12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.606 14.741 11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.021 14.351 10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.240 13.998 11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.687 13.945 12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.721 16.059 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.076 16.289 12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.612 16.341 11.138 1.00 0.00 H new ATOM 1440 N LYS A 90 2.267 10.619 9.271 1.00 0.00 N ATOM 1441 CA LYS A 90 1.916 10.021 7.989 1.00 0.00 C ATOM 1442 C LYS A 90 2.002 8.499 8.056 1.00 0.00 C ATOM 1443 O LYS A 90 1.004 7.802 7.873 1.00 0.00 O ATOM 1444 CB LYS A 90 2.840 10.546 6.888 1.00 0.00 C ATOM 1445 CG LYS A 90 2.291 11.761 6.161 1.00 0.00 C ATOM 1446 CD LYS A 90 2.222 12.974 7.075 1.00 0.00 C ATOM 1447 CE LYS A 90 2.143 14.267 6.279 1.00 0.00 C ATOM 1448 NZ LYS A 90 3.389 14.520 5.504 1.00 0.00 N ATOM 0 H LYS A 90 2.988 11.338 9.217 1.00 0.00 H new ATOM 0 HA LYS A 90 0.888 10.299 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.805 10.801 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.018 9.750 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.922 11.987 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.296 11.537 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.351 12.892 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.100 12.996 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.294 14.222 5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.962 15.101 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.471 15.537 5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.212 14.210 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.355 13.990 4.610 1.00 0.00 H new ATOM 1462 N LYS A 91 3.200 7.990 8.322 1.00 0.00 N ATOM 1463 CA LYS A 91 3.417 6.552 8.417 1.00 0.00 C ATOM 1464 C LYS A 91 2.294 5.883 9.203 1.00 0.00 C ATOM 1465 O LYS A 91 1.502 5.124 8.646 1.00 0.00 O ATOM 1466 CB LYS A 91 4.764 6.261 9.083 1.00 0.00 C ATOM 1467 CG LYS A 91 5.070 4.779 9.213 1.00 0.00 C ATOM 1468 CD LYS A 91 4.295 4.147 10.357 1.00 0.00 C ATOM 1469 CE LYS A 91 5.048 2.970 10.958 1.00 0.00 C ATOM 1470 NZ LYS A 91 4.664 2.733 12.378 1.00 0.00 N ATOM 0 H LYS A 91 4.036 8.553 8.476 1.00 0.00 H new ATOM 0 HA LYS A 91 3.423 6.143 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.556 6.738 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.775 6.714 10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.822 4.272 8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.139 4.640 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.110 4.894 11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.322 3.812 9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.847 2.073 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.120 3.156 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.199 1.923 12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.879 3.580 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.645 2.530 12.433 1.00 0.00 H new ATOM 1484 N GLN A 92 2.232 6.171 10.499 1.00 0.00 N ATOM 1485 CA GLN A 92 1.205 5.598 11.360 1.00 0.00 C ATOM 1486 C GLN A 92 -0.178 5.753 10.736 1.00 0.00 C ATOM 1487 O GLN A 92 -0.806 4.769 10.346 1.00 0.00 O ATOM 1488 CB GLN A 92 1.233 6.264 12.737 1.00 0.00 C ATOM 1489 CG GLN A 92 0.284 5.629 13.740 1.00 0.00 C ATOM 1490 CD GLN A 92 0.724 5.841 15.175 1.00 0.00 C ATOM 1491 OE1 GLN A 92 1.760 5.328 15.601 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -0.062 6.600 15.930 1.00 0.00 N ATOM 0 H GLN A 92 2.881 6.798 10.975 1.00 0.00 H new ATOM 0 HA GLN A 92 1.415 4.535 11.474 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.248 6.220 13.132 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.979 7.318 12.627 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.714 6.046 13.605 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.212 4.560 13.540 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.911 7.005 15.536 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.184 6.778 16.904 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.646 6.994 10.645 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.955 7.276 10.069 1.00 0.00 C ATOM 1503 C GLU A 93 -2.213 6.397 8.848 1.00 0.00 C ATOM 1504 O GLU A 93 -3.146 5.595 8.833 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.058 8.752 9.679 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.261 9.681 10.864 1.00 0.00 C ATOM 1507 CD GLU A 93 -2.920 10.990 10.474 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -2.800 11.387 9.296 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.557 11.616 11.346 1.00 0.00 O ATOM 0 H GLU A 93 -0.138 7.820 10.963 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.711 7.053 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.150 9.044 9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.887 8.878 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.874 9.179 11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.297 9.888 11.328 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.380 6.556 7.826 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.517 5.778 6.600 1.00 0.00 C ATOM 1518 C TRP A 94 -1.732 4.302 6.913 1.00 0.00 C ATOM 1519 O TRP A 94 -2.778 3.736 6.593 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.278 5.950 5.720 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.366 7.125 4.794 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.133 8.378 5.009 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.991 7.156 3.506 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.146 9.186 3.933 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.833 8.460 2.997 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.668 6.209 2.733 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.329 8.838 1.752 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.159 6.585 1.497 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.987 7.890 1.016 1.00 0.00 C ATOM 0 H TRP A 94 -0.603 7.216 7.822 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.390 6.147 6.062 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.599 6.064 6.358 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.130 5.044 5.133 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.668 8.688 5.894 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.116 10.168 3.846 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.805 5.201 3.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.199 9.844 1.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.684 5.861 0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.381 8.153 0.046 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.737 3.683 7.540 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.820 2.273 7.897 1.00 0.00 C ATOM 1542 C ILE A 95 -2.140 1.958 8.593 1.00 0.00 C ATOM 1543 O ILE A 95 -2.759 0.927 8.332 1.00 0.00 O ATOM 1544 CB ILE A 95 0.344 1.856 8.816 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.680 2.011 8.087 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.157 0.422 9.290 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.816 1.256 8.739 1.00 0.00 C ATOM 0 H ILE A 95 0.136 4.136 7.811 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.759 1.708 6.967 1.00 0.00 H new ATOM 0 HB ILE A 95 0.350 2.509 9.688 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.566 1.664 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.938 3.069 8.039 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.987 0.142 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.779 0.341 9.843 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.128 -0.245 8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.731 1.412 8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.957 1.619 9.757 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.580 0.192 8.762 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.565 2.854 9.477 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.813 2.672 10.209 1.00 0.00 C ATOM 1561 C GLN A 96 -5.005 2.664 9.259 1.00 0.00 C ATOM 1562 O GLN A 96 -5.850 1.771 9.315 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.983 3.778 11.252 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.299 3.477 12.575 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.757 4.396 13.691 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.012 5.268 14.138 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -4.990 4.204 14.147 1.00 0.00 N ATOM 0 H GLN A 96 -2.064 3.713 9.704 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.770 1.708 10.716 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.584 4.709 10.850 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.046 3.937 11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.499 2.443 12.856 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.220 3.571 12.452 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.573 3.469 13.747 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.354 4.792 14.897 1.00 0.00 H new ATOM 1576 N ALA A 97 -5.067 3.665 8.387 1.00 0.00 N ATOM 1577 CA ALA A 97 -6.155 3.773 7.423 1.00 0.00 C ATOM 1578 C ALA A 97 -6.194 2.558 6.501 1.00 0.00 C ATOM 1579 O ALA A 97 -7.238 1.926 6.336 1.00 0.00 O ATOM 1580 CB ALA A 97 -6.016 5.051 6.609 1.00 0.00 C ATOM 0 H ALA A 97 -4.376 4.413 8.328 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.094 3.808 7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.836 5.118 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.046 5.912 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.067 5.040 6.073 1.00 0.00 H new ATOM 1586 N ILE A 98 -5.051 2.239 5.903 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.956 1.100 4.998 1.00 0.00 C ATOM 1588 C ILE A 98 -5.361 -0.193 5.697 1.00 0.00 C ATOM 1589 O ILE A 98 -6.280 -0.887 5.260 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.529 0.943 4.439 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -3.069 2.247 3.783 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.474 -0.205 3.443 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.619 2.228 3.355 1.00 0.00 C ATOM 0 H ILE A 98 -4.179 2.753 6.029 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.642 1.294 4.173 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.854 0.715 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.694 2.447 2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.223 3.070 4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.459 -0.303 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.765 -1.131 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.158 -0.004 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.362 3.184 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.985 2.060 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.463 1.427 2.632 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.669 -0.512 6.787 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.958 -1.721 7.550 1.00 0.00 C ATOM 1607 C HIS A 99 -6.454 -1.846 7.825 1.00 0.00 C ATOM 1608 O HIS A 99 -7.079 -2.846 7.472 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.184 -1.715 8.868 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.994 -3.079 9.457 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -3.047 -3.358 10.420 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.636 -4.246 9.215 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -3.114 -4.637 10.743 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.071 -5.198 10.027 1.00 0.00 N ATOM 0 H HIS A 99 -3.904 0.050 7.161 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.643 -2.579 6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.207 -1.260 8.704 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.712 -1.088 9.587 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.443 -4.400 8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.492 -5.139 11.469 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.346 -6.179 10.070 1.00 0.00 H new ATOM 1623 N SER A 100 -7.022 -0.824 8.457 1.00 0.00 N ATOM 1624 CA SER A 100 -8.443 -0.821 8.784 1.00 0.00 C ATOM 1625 C SER A 100 -9.290 -0.982 7.525 1.00 0.00 C ATOM 1626 O SER A 100 -10.230 -1.776 7.492 1.00 0.00 O ATOM 1627 CB SER A 100 -8.820 0.476 9.503 1.00 0.00 C ATOM 1628 OG SER A 100 -8.197 0.553 10.774 1.00 0.00 O ATOM 0 H SER A 100 -6.520 0.013 8.753 1.00 0.00 H new ATOM 0 HA SER A 100 -8.640 -1.665 9.445 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.523 1.332 8.896 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.902 0.529 9.621 1.00 0.00 H new ATOM 0 HG SER A 100 -7.305 0.946 10.678 1.00 0.00 H new ATOM 1634 N THR A 101 -8.949 -0.222 6.488 1.00 0.00 N ATOM 1635 CA THR A 101 -9.677 -0.278 5.227 1.00 0.00 C ATOM 1636 C THR A 101 -9.778 -1.709 4.714 1.00 0.00 C ATOM 1637 O THR A 101 -10.759 -2.079 4.068 1.00 0.00 O ATOM 1638 CB THR A 101 -9.004 0.596 4.151 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.995 1.966 4.567 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.731 0.469 2.820 1.00 0.00 C ATOM 0 H THR A 101 -8.173 0.440 6.498 1.00 0.00 H new ATOM 0 HA THR A 101 -10.678 0.106 5.422 1.00 0.00 H new ATOM 0 HB THR A 101 -7.978 0.250 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.132 2.176 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.239 1.094 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.710 -0.570 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.765 0.792 2.938 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.758 -2.511 5.005 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.734 -3.903 4.573 1.00 0.00 C ATOM 1650 C ILE A 102 -9.647 -4.763 5.441 1.00 0.00 C ATOM 1651 O ILE A 102 -10.359 -5.633 4.939 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.307 -4.481 4.618 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.380 -3.679 3.702 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.318 -5.948 4.216 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.911 -3.922 3.968 1.00 0.00 C ATOM 0 H ILE A 102 -7.938 -2.220 5.538 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.092 -3.921 3.544 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.932 -4.407 5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.600 -3.931 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.592 -2.617 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.303 -6.343 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.950 -6.509 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.709 -6.045 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.313 -3.321 3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.676 -3.642 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.684 -4.978 3.818 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.621 -4.513 6.746 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.448 -5.263 7.685 1.00 0.00 C ATOM 1669 C HIS A 103 -11.900 -5.302 7.218 1.00 0.00 C ATOM 1670 O HIS A 103 -12.567 -6.334 7.314 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.365 -4.642 9.079 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.316 -5.251 10.064 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.647 -5.485 9.981 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.927 -5.698 11.309 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -13.033 -6.064 11.165 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.976 -6.182 11.949 1.00 0.00 N flip ATOM 0 H HIS A 103 -9.036 -3.797 7.177 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.071 -6.285 7.728 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.348 -4.749 9.455 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.567 -3.573 9.004 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.921 -5.658 11.700 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.037 -6.373 11.415 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.971 -6.579 12.888 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.385 -4.173 6.713 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.759 -4.078 6.232 1.00 0.00 C ATOM 1687 C LEU A 104 -14.024 -5.104 5.135 1.00 0.00 C ATOM 1688 O LEU A 104 -15.141 -5.603 4.993 1.00 0.00 O ATOM 1689 CB LEU A 104 -14.039 -2.669 5.706 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.716 -1.520 6.662 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.677 -0.197 5.912 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.732 -1.464 7.793 1.00 0.00 C ATOM 0 H LEU A 104 -11.847 -3.311 6.626 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.426 -4.287 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.467 -2.524 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.093 -2.606 5.437 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.732 -1.699 7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.446 0.609 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.910 -0.240 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.647 -0.011 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.486 -0.640 8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.729 -1.310 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.711 -2.402 8.348 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.990 -5.417 4.362 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.109 -6.386 3.279 1.00 0.00 C ATOM 1706 C LEU A 105 -13.089 -7.813 3.819 1.00 0.00 C ATOM 1707 O LEU A 105 -13.554 -8.744 3.162 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.976 -6.195 2.269 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.101 -4.987 1.340 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.733 -4.559 0.834 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.028 -5.304 0.176 1.00 0.00 C ATOM 0 H LEU A 105 -12.059 -5.013 4.465 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.064 -6.219 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.038 -6.111 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.907 -7.094 1.656 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.531 -4.160 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.842 -3.698 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.100 -4.290 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.275 -5.381 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.105 -4.433 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.627 -6.145 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.016 -5.561 0.557 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.550 -7.976 5.022 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.472 -9.288 5.654 1.00 0.00 C ATOM 1725 C LYS A 106 -13.854 -9.766 6.088 1.00 0.00 C ATOM 1726 O LYS A 106 -14.170 -10.953 5.990 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.535 -9.239 6.864 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.121 -8.801 6.521 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.214 -8.842 7.739 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.758 -8.622 7.358 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.831 -9.046 8.442 1.00 0.00 N ATOM 0 H LYS A 106 -12.160 -7.216 5.579 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.076 -9.993 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.948 -8.555 7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.499 -10.226 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.717 -9.449 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.141 -7.790 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.524 -8.077 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.319 -9.805 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.532 -9.179 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.597 -7.568 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.849 -8.880 8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.029 -8.497 9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.967 -10.058 8.639 1.00 0.00 H new ATOM 1745 N LEU A 107 -14.674 -8.837 6.565 1.00 0.00 N ATOM 1746 CA LEU A 107 -16.023 -9.163 7.012 1.00 0.00 C ATOM 1747 C LEU A 107 -16.806 -9.868 5.909 1.00 0.00 C ATOM 1748 O LEU A 107 -17.429 -10.903 6.140 1.00 0.00 O ATOM 1749 CB LEU A 107 -16.759 -7.894 7.445 1.00 0.00 C ATOM 1750 CG LEU A 107 -16.627 -7.512 8.920 1.00 0.00 C ATOM 1751 CD1 LEU A 107 -17.026 -8.677 9.811 1.00 0.00 C ATOM 1752 CD2 LEU A 107 -15.206 -7.064 9.229 1.00 0.00 C ATOM 0 H LEU A 107 -14.428 -7.851 6.652 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.944 -9.838 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.395 -7.063 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.818 -8.015 7.215 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.301 -6.680 9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.926 -8.386 10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.061 -8.952 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.378 -9.529 9.608 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -15.130 -6.796 10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.513 -7.876 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.956 -6.198 8.616 1.00 0.00 H new ATOM 1764 N GLY A 108 -16.768 -9.299 4.707 1.00 0.00 N ATOM 1765 CA GLY A 108 -17.477 -9.888 3.586 1.00 0.00 C ATOM 1766 C GLY A 108 -16.625 -10.878 2.817 1.00 0.00 C ATOM 1767 O GLY A 108 -15.805 -10.488 1.986 1.00 0.00 O ATOM 0 H GLY A 108 -16.259 -8.442 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -18.373 -10.391 3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -17.807 -9.097 2.912 1.00 0.00 H new ATOM 1771 N SER A 109 -16.817 -12.163 3.095 1.00 0.00 N ATOM 1772 CA SER A 109 -16.056 -13.212 2.428 1.00 0.00 C ATOM 1773 C SER A 109 -16.883 -13.866 1.325 1.00 0.00 C ATOM 1774 O SER A 109 -18.083 -14.091 1.484 1.00 0.00 O ATOM 1775 CB SER A 109 -15.608 -14.269 3.439 1.00 0.00 C ATOM 1776 OG SER A 109 -14.827 -13.691 4.470 1.00 0.00 O ATOM 0 H SER A 109 -17.494 -12.503 3.778 1.00 0.00 H new ATOM 0 HA SER A 109 -15.175 -12.755 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.482 -14.757 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.030 -15.041 2.931 1.00 0.00 H new ATOM 0 HG SER A 109 -14.555 -14.387 5.104 1.00 0.00 H new ATOM 1782 N SER A 110 -16.232 -14.167 0.205 1.00 0.00 N ATOM 1783 CA SER A 110 -16.907 -14.791 -0.927 1.00 0.00 C ATOM 1784 C SER A 110 -16.887 -16.312 -0.801 1.00 0.00 C ATOM 1785 O SER A 110 -15.824 -16.930 -0.786 1.00 0.00 O ATOM 1786 CB SER A 110 -16.244 -14.368 -2.239 1.00 0.00 C ATOM 1787 OG SER A 110 -16.275 -12.960 -2.395 1.00 0.00 O ATOM 0 H SER A 110 -15.239 -13.989 0.058 1.00 0.00 H new ATOM 0 HA SER A 110 -17.945 -14.458 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 110 -15.211 -14.716 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.755 -14.841 -3.077 1.00 0.00 H new ATOM 0 HG SER A 110 -15.844 -12.715 -3.240 1.00 0.00 H new ATOM 1793 N GLY A 111 -18.072 -16.907 -0.710 1.00 0.00 N ATOM 1794 CA GLY A 111 -18.169 -18.350 -0.586 1.00 0.00 C ATOM 1795 C GLY A 111 -19.518 -18.797 -0.057 1.00 0.00 C ATOM 1796 O GLY A 111 -19.960 -18.376 1.012 1.00 0.00 O ATOM 0 H GLY A 111 -18.966 -16.416 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -17.994 -18.808 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -17.384 -18.708 0.080 1.00 0.00 H new ATOM 1800 N PRO A 112 -20.196 -19.669 -0.818 1.00 0.00 N ATOM 1801 CA PRO A 112 -21.513 -20.191 -0.441 1.00 0.00 C ATOM 1802 C PRO A 112 -21.441 -21.137 0.753 1.00 0.00 C ATOM 1803 O PRO A 112 -20.540 -21.971 0.843 1.00 0.00 O ATOM 1804 CB PRO A 112 -21.968 -20.944 -1.693 1.00 0.00 C ATOM 1805 CG PRO A 112 -20.706 -21.321 -2.388 1.00 0.00 C ATOM 1806 CD PRO A 112 -19.730 -20.213 -2.104 1.00 0.00 C ATOM 0 HA PRO A 112 -22.194 -19.397 -0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -22.555 -21.825 -1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.596 -20.317 -2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.329 -22.276 -2.022 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.869 -21.432 -3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.708 -20.586 -2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -19.742 -19.456 -2.888 1.00 0.00 H new ATOM 1814 N SER A 113 -22.397 -21.003 1.668 1.00 0.00 N ATOM 1815 CA SER A 113 -22.439 -21.844 2.858 1.00 0.00 C ATOM 1816 C SER A 113 -23.880 -22.152 3.254 1.00 0.00 C ATOM 1817 O SER A 113 -24.771 -21.318 3.095 1.00 0.00 O ATOM 1818 CB SER A 113 -21.715 -21.159 4.018 1.00 0.00 C ATOM 1819 OG SER A 113 -20.321 -21.411 3.969 1.00 0.00 O ATOM 0 H SER A 113 -23.152 -20.320 1.607 1.00 0.00 H new ATOM 0 HA SER A 113 -21.935 -22.783 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 113 -21.895 -20.085 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 113 -22.119 -21.516 4.965 1.00 0.00 H new ATOM 0 HG SER A 113 -20.061 -21.634 3.051 1.00 0.00 H new ATOM 1825 N SER A 114 -24.101 -23.357 3.769 1.00 0.00 N ATOM 1826 CA SER A 114 -25.433 -23.779 4.185 1.00 0.00 C ATOM 1827 C SER A 114 -26.080 -22.728 5.082 1.00 0.00 C ATOM 1828 O SER A 114 -27.249 -22.383 4.910 1.00 0.00 O ATOM 1829 CB SER A 114 -25.361 -25.119 4.919 1.00 0.00 C ATOM 1830 OG SER A 114 -24.749 -24.973 6.189 1.00 0.00 O ATOM 0 H SER A 114 -23.374 -24.059 3.908 1.00 0.00 H new ATOM 0 HA SER A 114 -26.046 -23.896 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 114 -26.365 -25.525 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 114 -24.798 -25.835 4.321 1.00 0.00 H new ATOM 0 HG SER A 114 -24.717 -25.843 6.639 1.00 0.00 H new ATOM 1836 N GLY A 115 -25.310 -22.223 6.041 1.00 0.00 N ATOM 1837 CA GLY A 115 -25.825 -21.217 6.952 1.00 0.00 C ATOM 1838 C GLY A 115 -25.647 -21.607 8.406 1.00 0.00 C ATOM 1839 O GLY A 115 -25.708 -20.757 9.295 1.00 0.00 O ATOM 0 H GLY A 115 -24.340 -22.492 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -25.317 -20.270 6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -26.884 -21.055 6.749 1.00 0.00 H new TER 1843 GLY A 115