USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 717 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 55 LYS NZ :NH3+ 178:sc= 2.24 (180deg=0.928) USER MOD Set 1.2: A 115 SER OG : rot 164:sc= 1.02 USER MOD Set 2.1: A 30 MET CE :methyl -176:sc= -0.148 (180deg=-0.189) USER MOD Set 2.2: A 97 TYR OH : rot 180:sc= 0.64 USER MOD Set 3.1: A 61 LYS NZ :NH3+ -173:sc= 2.45 (180deg=1.07) USER MOD Set 3.2: A 74 GLN : amide:sc= 0.919 K(o=3.4,f=-9.9!) USER MOD Set 4.1: A 71 ASN : amide:sc= -1.14 K(o=-0.18,f=-7.1!) USER MOD Set 4.2: A 73 TYR OH : rot -151:sc= 0.963 USER MOD Set 5.1: A 48 HIS : no HD1:sc= -0.201 K(o=-0.49,f=-5.9!) USER MOD Set 5.2: A 82 THR OG1 : rot 180:sc= -0.292 USER MOD Set 6.1: A 41 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0) USER MOD Set 6.2: A 44 ASN : amide:sc= -0.167 K(o=0.96,f=-10!) USER MOD Set 7.1: A 34 LYS NZ :NH3+ -164:sc= 1.32 (180deg=-0.144) USER MOD Set 7.2: A 37 GLN : amide:sc= 1.05 K(o=2.4,f=-13!) USER MOD Set 8.1: A 11 GLN : amide:sc= -0.227 K(o=-0.25,f=-2.8!) USER MOD Set 8.2: A 35 MET CE :methyl 173:sc= -0.02 (180deg=-0.107) USER MOD Set 9.1: A 25 TYR OH : rot 156:sc= 0.432 USER MOD Set 9.2: A 101 GLN : amide:sc= 0.398 K(o=0.83,f=-0.47) USER MOD Set10.1: A 23 SER OG : rot 169:sc= 1.1 USER MOD Set10.2: A 98 LYS NZ :NH3+ -98:sc= 1.29 (180deg=0) USER MOD Single : A 3 SER OG : rot 26:sc= 0.176 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HE2:sc= -0.965 K(o=-0.96,f=-5.2!) USER MOD Single : A 13 MET CE :methyl -111:sc= -0.212 (180deg=-1.05) USER MOD Single : A 15 SER OG : rot -167:sc= 1.07 USER MOD Single : A 22 SER OG : rot -141:sc= 0.711 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 27 ASN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 29 MET CE :methyl -149:sc= 0 (180deg=-0.193) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0.781 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.13) USER MOD Single : A 45 THR OG1 : rot -59:sc= 1.22 USER MOD Single : A 50 SER OG : rot 39:sc= 0.34 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.0079) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 75 SER OG : rot 98:sc= 1.4 USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= 0.716 (180deg=-0.0235) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : A 79 MET CE :methyl 173:sc=-0.00545 (180deg=-0.0329) USER MOD Single : A 87 THR OG1 : rot -75:sc= 0.199 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -169:sc= 1.2 USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0131) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 99 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= -0.0159 (180deg=-0.261) USER MOD Single : A 105 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-4.1!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 123 SER OG : rot 162:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 3.917 11.026 13.373 1.00 0.00 N ATOM 32 CA SER A 3 4.497 12.043 12.506 1.00 0.00 C ATOM 33 C SER A 3 4.015 11.801 11.072 1.00 0.00 C ATOM 34 O SER A 3 4.800 11.909 10.133 1.00 0.00 O ATOM 35 CB SER A 3 6.024 12.002 12.608 1.00 0.00 C ATOM 36 OG SER A 3 6.422 12.091 13.963 1.00 0.00 O ATOM 0 HA SER A 3 4.176 13.038 12.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.401 11.078 12.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.457 12.825 12.039 1.00 0.00 H new ATOM 0 HG SER A 3 5.702 11.757 14.538 1.00 0.00 H new ATOM 41 N ALA A 4 2.737 11.423 10.919 1.00 0.00 N ATOM 42 CA ALA A 4 2.084 11.045 9.664 1.00 0.00 C ATOM 43 C ALA A 4 2.705 9.784 9.053 1.00 0.00 C ATOM 44 O ALA A 4 2.058 8.738 9.019 1.00 0.00 O ATOM 45 CB ALA A 4 2.049 12.219 8.677 1.00 0.00 C ATOM 0 H ALA A 4 2.099 11.371 11.713 1.00 0.00 H new ATOM 0 HA ALA A 4 1.049 10.794 9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.558 11.905 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.497 13.049 9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.067 12.538 8.455 1.00 0.00 H new ATOM 51 N ALA A 5 3.958 9.867 8.601 1.00 0.00 N ATOM 52 CA ALA A 5 4.703 8.755 8.024 1.00 0.00 C ATOM 53 C ALA A 5 4.556 7.501 8.883 1.00 0.00 C ATOM 54 O ALA A 5 4.117 6.460 8.401 1.00 0.00 O ATOM 55 CB ALA A 5 6.174 9.148 7.866 1.00 0.00 C ATOM 0 H ALA A 5 4.494 10.735 8.629 1.00 0.00 H new ATOM 0 HA ALA A 5 4.296 8.526 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.729 8.315 7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.251 10.014 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.591 9.395 8.842 1.00 0.00 H new ATOM 61 N ALA A 6 4.839 7.638 10.181 1.00 0.00 N ATOM 62 CA ALA A 6 4.778 6.544 11.140 1.00 0.00 C ATOM 63 C ALA A 6 3.408 5.855 11.173 1.00 0.00 C ATOM 64 O ALA A 6 3.337 4.668 11.474 1.00 0.00 O ATOM 65 CB ALA A 6 5.152 7.063 12.530 1.00 0.00 C ATOM 0 H ALA A 6 5.120 8.526 10.596 1.00 0.00 H new ATOM 0 HA ALA A 6 5.494 5.787 10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.106 6.244 13.248 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.163 7.470 12.507 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.453 7.845 12.826 1.00 0.00 H new ATOM 71 N LYS A 7 2.325 6.585 10.892 1.00 0.00 N ATOM 72 CA LYS A 7 0.968 6.054 10.874 1.00 0.00 C ATOM 73 C LYS A 7 0.716 5.386 9.523 1.00 0.00 C ATOM 74 O LYS A 7 0.344 4.212 9.452 1.00 0.00 O ATOM 75 CB LYS A 7 0.006 7.222 11.127 1.00 0.00 C ATOM 76 CG LYS A 7 -1.477 6.859 11.022 1.00 0.00 C ATOM 77 CD LYS A 7 -2.300 8.156 11.075 1.00 0.00 C ATOM 78 CE LYS A 7 -3.515 8.020 12.003 1.00 0.00 C ATOM 79 NZ LYS A 7 -4.103 9.337 12.321 1.00 0.00 N ATOM 0 H LYS A 7 2.372 7.579 10.667 1.00 0.00 H new ATOM 0 HA LYS A 7 0.816 5.301 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.198 7.625 12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.224 8.016 10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.671 6.324 10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.763 6.195 11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.668 8.974 11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.636 8.415 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.267 7.389 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.216 7.522 12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.922 9.209 12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.392 9.929 12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.410 9.801 11.443 1.00 0.00 H new ATOM 89 N PHE A 8 0.925 6.159 8.454 1.00 0.00 N ATOM 90 CA PHE A 8 0.852 5.720 7.066 1.00 0.00 C ATOM 91 C PHE A 8 1.545 4.359 6.895 1.00 0.00 C ATOM 92 O PHE A 8 1.023 3.454 6.244 1.00 0.00 O ATOM 93 CB PHE A 8 1.479 6.804 6.176 1.00 0.00 C ATOM 94 CG PHE A 8 2.178 6.260 4.953 1.00 0.00 C ATOM 95 CD1 PHE A 8 1.432 5.547 4.001 1.00 0.00 C ATOM 96 CD2 PHE A 8 3.579 6.159 4.956 1.00 0.00 C ATOM 97 CE1 PHE A 8 2.089 4.815 3.004 1.00 0.00 C ATOM 98 CE2 PHE A 8 4.238 5.473 3.930 1.00 0.00 C ATOM 99 CZ PHE A 8 3.495 4.858 2.913 1.00 0.00 C ATOM 0 H PHE A 8 1.159 7.148 8.540 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.187 5.582 6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.699 7.497 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.194 7.377 6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.353 5.563 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.150 6.612 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.520 4.219 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.317 5.417 3.922 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.997 4.419 2.064 1.00 0.00 H new ATOM 108 N GLU A 9 2.735 4.217 7.478 1.00 0.00 N ATOM 109 CA GLU A 9 3.458 2.968 7.585 1.00 0.00 C ATOM 110 C GLU A 9 2.525 1.869 8.066 1.00 0.00 C ATOM 111 O GLU A 9 2.187 0.985 7.287 1.00 0.00 O ATOM 112 CB GLU A 9 4.625 3.092 8.557 1.00 0.00 C ATOM 113 CG GLU A 9 5.891 3.622 7.892 1.00 0.00 C ATOM 114 CD GLU A 9 6.952 3.864 8.951 1.00 0.00 C ATOM 115 OE1 GLU A 9 7.304 2.869 9.627 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.319 5.036 9.155 1.00 0.00 O ATOM 0 H GLU A 9 3.232 5.001 7.901 1.00 0.00 H new ATOM 0 HA GLU A 9 3.848 2.720 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.343 3.756 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.832 2.116 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.254 2.907 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.675 4.548 7.359 1.00 0.00 H new ATOM 121 N ARG A 10 2.125 1.908 9.339 1.00 0.00 N ATOM 122 CA ARG A 10 1.420 0.789 9.947 1.00 0.00 C ATOM 123 C ARG A 10 0.120 0.485 9.197 1.00 0.00 C ATOM 124 O ARG A 10 -0.310 -0.665 9.157 1.00 0.00 O ATOM 125 CB ARG A 10 1.109 1.038 11.433 1.00 0.00 C ATOM 126 CG ARG A 10 2.273 1.550 12.290 1.00 0.00 C ATOM 127 CD ARG A 10 3.503 0.634 12.372 1.00 0.00 C ATOM 128 NE ARG A 10 4.681 1.441 12.742 1.00 0.00 N ATOM 129 CZ ARG A 10 5.674 1.778 11.901 1.00 0.00 C ATOM 130 NH1 ARG A 10 5.991 1.003 10.863 1.00 0.00 N ATOM 131 NH2 ARG A 10 6.353 2.914 12.063 1.00 0.00 N ATOM 0 H ARG A 10 2.279 2.701 9.962 1.00 0.00 H new ATOM 0 HA ARG A 10 2.086 -0.071 9.878 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.293 1.758 11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.746 0.107 11.868 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.590 2.516 11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.905 1.722 13.301 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.338 -0.152 13.110 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.670 0.142 11.414 1.00 0.00 H new ATOM 0 HE ARG A 10 4.747 1.767 13.706 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.477 0.138 10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.748 1.275 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.122 3.541 12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.104 3.156 11.417 1.00 0.00 H new ATOM 142 N GLN A 11 -0.516 1.509 8.615 1.00 0.00 N ATOM 143 CA GLN A 11 -1.750 1.336 7.857 1.00 0.00 C ATOM 144 C GLN A 11 -1.514 0.878 6.407 1.00 0.00 C ATOM 145 O GLN A 11 -2.462 0.891 5.622 1.00 0.00 O ATOM 146 CB GLN A 11 -2.585 2.625 7.916 1.00 0.00 C ATOM 147 CG GLN A 11 -2.925 3.003 9.364 1.00 0.00 C ATOM 148 CD GLN A 11 -3.998 4.086 9.431 1.00 0.00 C ATOM 149 OE1 GLN A 11 -3.708 5.274 9.360 1.00 0.00 O ATOM 150 NE2 GLN A 11 -5.256 3.692 9.587 1.00 0.00 N ATOM 0 H GLN A 11 -0.188 2.474 8.659 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.309 0.527 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.035 3.439 7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.505 2.491 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.268 2.118 9.899 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.025 3.352 9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.476 2.698 9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.003 4.384 9.650 1.00 0.00 H new ATOM 157 N HIS A 12 -0.290 0.484 6.024 1.00 0.00 N ATOM 158 CA HIS A 12 -0.032 -0.075 4.698 1.00 0.00 C ATOM 159 C HIS A 12 0.986 -1.222 4.738 1.00 0.00 C ATOM 160 O HIS A 12 0.805 -2.234 4.069 1.00 0.00 O ATOM 161 CB HIS A 12 0.341 1.046 3.712 1.00 0.00 C ATOM 162 CG HIS A 12 1.816 1.286 3.559 1.00 0.00 C ATOM 163 ND1 HIS A 12 2.597 2.023 4.420 1.00 0.00 N ATOM 164 CD2 HIS A 12 2.620 0.757 2.590 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.871 1.933 3.988 1.00 0.00 C ATOM 166 NE2 HIS A 12 3.907 1.169 2.877 1.00 0.00 N ATOM 0 H HIS A 12 0.536 0.545 6.620 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.950 -0.532 4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.077 0.805 2.735 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.131 1.972 4.041 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.272 2.542 5.235 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.310 0.138 1.761 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.726 2.398 4.456 1.00 0.00 H new ATOM 174 N MET A 13 2.089 -1.059 5.472 1.00 0.00 N ATOM 175 CA MET A 13 3.096 -2.097 5.618 1.00 0.00 C ATOM 176 C MET A 13 2.779 -3.050 6.782 1.00 0.00 C ATOM 177 O MET A 13 3.269 -2.879 7.900 1.00 0.00 O ATOM 178 CB MET A 13 4.518 -1.519 5.652 1.00 0.00 C ATOM 179 CG MET A 13 4.855 -0.540 6.784 1.00 0.00 C ATOM 180 SD MET A 13 6.572 -0.646 7.357 1.00 0.00 S ATOM 181 CE MET A 13 7.427 -0.281 5.811 1.00 0.00 C ATOM 0 H MET A 13 2.304 -0.201 5.980 1.00 0.00 H new ATOM 0 HA MET A 13 3.060 -2.718 4.723 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.219 -2.352 5.707 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.699 -1.013 4.704 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.658 0.476 6.443 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.189 -0.729 7.626 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.937 -1.177 5.457 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.704 0.044 5.063 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.158 0.511 5.977 1.00 0.00 H new ATOM 189 N ASP A 14 1.978 -4.085 6.528 1.00 0.00 N ATOM 190 CA ASP A 14 1.628 -5.124 7.487 1.00 0.00 C ATOM 191 C ASP A 14 2.779 -6.134 7.601 1.00 0.00 C ATOM 192 O ASP A 14 2.572 -7.337 7.460 1.00 0.00 O ATOM 193 CB ASP A 14 0.342 -5.819 7.000 1.00 0.00 C ATOM 194 CG ASP A 14 0.600 -6.593 5.714 1.00 0.00 C ATOM 195 OD1 ASP A 14 1.310 -6.044 4.849 1.00 0.00 O ATOM 196 OD2 ASP A 14 0.191 -7.770 5.604 1.00 0.00 O ATOM 0 H ASP A 14 1.542 -4.225 5.617 1.00 0.00 H new ATOM 0 HA ASP A 14 1.458 -4.691 8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.025 -6.497 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.437 -5.076 6.832 1.00 0.00 H new ATOM 200 N SER A 15 4.002 -5.668 7.863 1.00 0.00 N ATOM 201 CA SER A 15 5.209 -6.477 7.731 1.00 0.00 C ATOM 202 C SER A 15 5.428 -7.538 8.821 1.00 0.00 C ATOM 203 O SER A 15 6.501 -7.595 9.418 1.00 0.00 O ATOM 204 CB SER A 15 6.419 -5.552 7.649 1.00 0.00 C ATOM 205 OG SER A 15 6.240 -4.578 6.641 1.00 0.00 O ATOM 0 H SER A 15 4.181 -4.713 8.174 1.00 0.00 H new ATOM 0 HA SER A 15 5.076 -7.054 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.574 -5.062 8.610 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.315 -6.136 7.441 1.00 0.00 H new ATOM 0 HG SER A 15 7.092 -4.127 6.467 1.00 0.00 H new ATOM 270 N SER A 22 -4.008 -15.212 2.462 1.00 0.00 N ATOM 271 CA SER A 22 -4.277 -13.898 1.910 1.00 0.00 C ATOM 272 C SER A 22 -5.298 -13.138 2.764 1.00 0.00 C ATOM 273 O SER A 22 -5.019 -12.042 3.249 1.00 0.00 O ATOM 274 CB SER A 22 -4.676 -13.963 0.439 1.00 0.00 C ATOM 275 OG SER A 22 -3.638 -14.479 -0.366 1.00 0.00 O ATOM 0 HA SER A 22 -3.347 -13.331 1.943 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.563 -14.587 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.943 -12.965 0.091 1.00 0.00 H new ATOM 0 HG SER A 22 -3.606 -13.988 -1.213 1.00 0.00 H new ATOM 280 N SER A 23 -6.474 -13.737 2.961 1.00 0.00 N ATOM 281 CA SER A 23 -7.537 -13.228 3.811 1.00 0.00 C ATOM 282 C SER A 23 -6.995 -12.815 5.182 1.00 0.00 C ATOM 283 O SER A 23 -7.360 -11.754 5.693 1.00 0.00 O ATOM 284 CB SER A 23 -8.639 -14.294 3.928 1.00 0.00 C ATOM 285 OG SER A 23 -8.183 -15.563 3.464 1.00 0.00 O ATOM 0 H SER A 23 -6.715 -14.622 2.514 1.00 0.00 H new ATOM 0 HA SER A 23 -7.965 -12.331 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.958 -14.377 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.510 -13.985 3.350 1.00 0.00 H new ATOM 0 HG SER A 23 -8.832 -16.254 3.711 1.00 0.00 H new ATOM 290 N ASN A 24 -6.136 -13.653 5.774 1.00 0.00 N ATOM 291 CA ASN A 24 -5.608 -13.388 7.107 1.00 0.00 C ATOM 292 C ASN A 24 -4.972 -12.010 7.193 1.00 0.00 C ATOM 293 O ASN A 24 -5.432 -11.188 7.980 1.00 0.00 O ATOM 294 CB ASN A 24 -4.627 -14.467 7.583 1.00 0.00 C ATOM 295 CG ASN A 24 -5.320 -15.741 8.061 1.00 0.00 C ATOM 296 OD1 ASN A 24 -6.365 -16.121 7.541 1.00 0.00 O ATOM 297 ND2 ASN A 24 -4.742 -16.429 9.039 1.00 0.00 N ATOM 0 H ASN A 24 -5.796 -14.516 5.349 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.464 -13.414 7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.946 -14.715 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.020 -14.065 8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.166 -17.294 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.874 -16.092 9.455 1.00 0.00 H new ATOM 303 N TYR A 25 -3.928 -11.753 6.398 1.00 0.00 N ATOM 304 CA TYR A 25 -3.199 -10.492 6.476 1.00 0.00 C ATOM 305 C TYR A 25 -4.173 -9.318 6.375 1.00 0.00 C ATOM 306 O TYR A 25 -4.139 -8.402 7.197 1.00 0.00 O ATOM 307 CB TYR A 25 -2.153 -10.374 5.357 1.00 0.00 C ATOM 308 CG TYR A 25 -1.331 -11.607 5.042 1.00 0.00 C ATOM 309 CD1 TYR A 25 -0.221 -11.962 5.828 1.00 0.00 C ATOM 310 CD2 TYR A 25 -1.561 -12.271 3.827 1.00 0.00 C ATOM 311 CE1 TYR A 25 0.625 -13.010 5.415 1.00 0.00 C ATOM 312 CE2 TYR A 25 -0.741 -13.339 3.430 1.00 0.00 C ATOM 313 CZ TYR A 25 0.348 -13.717 4.230 1.00 0.00 C ATOM 314 OH TYR A 25 1.194 -14.686 3.782 1.00 0.00 O ATOM 0 H TYR A 25 -3.573 -12.402 5.696 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.683 -10.470 7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.667 -10.069 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.467 -9.569 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.017 -11.432 6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.376 -11.957 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.488 -13.272 6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.948 -13.868 2.511 1.00 0.00 H new ATOM 0 HH TYR A 25 0.702 -15.311 3.210 1.00 0.00 H new ATOM 323 N CYS A 26 -5.052 -9.387 5.368 1.00 0.00 N ATOM 324 CA CYS A 26 -5.999 -8.327 5.030 1.00 0.00 C ATOM 325 C CYS A 26 -6.787 -7.947 6.279 1.00 0.00 C ATOM 326 O CYS A 26 -6.722 -6.819 6.774 1.00 0.00 O ATOM 327 CB CYS A 26 -6.976 -8.801 3.948 1.00 0.00 C ATOM 328 SG CYS A 26 -6.534 -8.615 2.203 1.00 0.00 S ATOM 0 H CYS A 26 -5.123 -10.199 4.755 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.445 -7.467 4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.170 -9.859 4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.917 -8.274 4.104 1.00 0.00 H new ATOM 332 N ASN A 27 -7.542 -8.926 6.782 1.00 0.00 N ATOM 333 CA ASN A 27 -8.429 -8.718 7.913 1.00 0.00 C ATOM 334 C ASN A 27 -7.617 -8.314 9.135 1.00 0.00 C ATOM 335 O ASN A 27 -8.014 -7.399 9.852 1.00 0.00 O ATOM 336 CB ASN A 27 -9.259 -9.974 8.196 1.00 0.00 C ATOM 337 CG ASN A 27 -10.333 -10.188 7.130 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.460 -9.731 7.282 1.00 0.00 O ATOM 339 ND2 ASN A 27 -10.001 -10.869 6.038 1.00 0.00 N ATOM 0 H ASN A 27 -7.551 -9.878 6.415 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.124 -7.913 7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.603 -10.844 8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.729 -9.887 9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.691 -11.021 5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.056 -11.239 5.935 1.00 0.00 H new ATOM 345 N LEU A 28 -6.485 -8.984 9.368 1.00 0.00 N ATOM 346 CA LEU A 28 -5.623 -8.721 10.509 1.00 0.00 C ATOM 347 C LEU A 28 -5.266 -7.239 10.556 1.00 0.00 C ATOM 348 O LEU A 28 -5.556 -6.570 11.547 1.00 0.00 O ATOM 349 CB LEU A 28 -4.372 -9.617 10.447 1.00 0.00 C ATOM 350 CG LEU A 28 -3.489 -9.666 11.707 1.00 0.00 C ATOM 351 CD1 LEU A 28 -2.679 -8.387 11.949 1.00 0.00 C ATOM 352 CD2 LEU A 28 -4.283 -10.040 12.965 1.00 0.00 C ATOM 0 H LEU A 28 -6.144 -9.729 8.761 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.150 -8.964 11.432 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.693 -10.633 10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.755 -9.282 9.613 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.771 -10.460 11.503 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.083 -8.500 12.855 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.019 -8.208 11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.358 -7.542 12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.614 -10.061 13.825 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.067 -9.302 13.133 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.733 -11.024 12.832 1.00 0.00 H new ATOM 363 N MET A 29 -4.647 -6.714 9.494 1.00 0.00 N ATOM 364 CA MET A 29 -4.211 -5.324 9.495 1.00 0.00 C ATOM 365 C MET A 29 -5.411 -4.387 9.639 1.00 0.00 C ATOM 366 O MET A 29 -5.396 -3.510 10.501 1.00 0.00 O ATOM 367 CB MET A 29 -3.405 -4.979 8.241 1.00 0.00 C ATOM 368 CG MET A 29 -2.611 -3.669 8.410 1.00 0.00 C ATOM 369 SD MET A 29 -2.317 -2.710 6.898 1.00 0.00 S ATOM 370 CE MET A 29 -3.957 -1.994 6.644 1.00 0.00 C ATOM 0 H MET A 29 -4.441 -7.226 8.636 1.00 0.00 H new ATOM 0 HA MET A 29 -3.553 -5.187 10.353 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.717 -5.794 8.016 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.080 -4.887 7.390 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.143 -3.035 9.120 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.646 -3.908 8.857 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.134 -1.859 5.577 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.713 -2.662 7.056 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.014 -1.028 7.146 1.00 0.00 H new ATOM 378 N MET A 30 -6.445 -4.532 8.800 1.00 0.00 N ATOM 379 CA MET A 30 -7.570 -3.606 8.873 1.00 0.00 C ATOM 380 C MET A 30 -8.233 -3.633 10.253 1.00 0.00 C ATOM 381 O MET A 30 -8.594 -2.578 10.772 1.00 0.00 O ATOM 382 CB MET A 30 -8.599 -3.853 7.766 1.00 0.00 C ATOM 383 CG MET A 30 -8.216 -3.189 6.435 1.00 0.00 C ATOM 384 SD MET A 30 -7.790 -4.315 5.092 1.00 0.00 S ATOM 385 CE MET A 30 -7.618 -3.115 3.760 1.00 0.00 C ATOM 0 H MET A 30 -6.522 -5.258 8.087 1.00 0.00 H new ATOM 0 HA MET A 30 -7.161 -2.608 8.716 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.709 -4.926 7.612 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.570 -3.476 8.088 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.047 -2.564 6.110 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.369 -2.526 6.611 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.423 -3.637 2.823 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.538 -2.538 3.669 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.788 -2.443 3.980 1.00 0.00 H new ATOM 393 N CYS A 31 -8.387 -4.816 10.852 1.00 0.00 N ATOM 394 CA CYS A 31 -8.910 -4.955 12.205 1.00 0.00 C ATOM 395 C CYS A 31 -7.990 -4.245 13.200 1.00 0.00 C ATOM 396 O CYS A 31 -8.418 -3.339 13.912 1.00 0.00 O ATOM 397 CB CYS A 31 -9.055 -6.434 12.570 1.00 0.00 C ATOM 398 SG CYS A 31 -9.624 -6.526 14.282 1.00 0.00 S ATOM 0 H CYS A 31 -8.151 -5.704 10.408 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.896 -4.492 12.250 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.766 -6.924 11.904 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.102 -6.951 12.456 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.761 -7.772 14.627 1.00 0.00 H new ATOM 403 N CYS A 32 -6.709 -4.621 13.208 1.00 0.00 N ATOM 404 CA CYS A 32 -5.682 -4.053 14.075 1.00 0.00 C ATOM 405 C CYS A 32 -5.655 -2.526 14.000 1.00 0.00 C ATOM 406 O CYS A 32 -5.448 -1.851 15.011 1.00 0.00 O ATOM 407 CB CYS A 32 -4.316 -4.617 13.675 1.00 0.00 C ATOM 408 SG CYS A 32 -3.022 -3.766 14.607 1.00 0.00 S ATOM 0 H CYS A 32 -6.350 -5.351 12.592 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.916 -4.327 15.104 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.279 -5.688 13.875 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.155 -4.486 12.605 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.860 -4.244 14.272 1.00 0.00 H new ATOM 413 N ARG A 33 -5.804 -1.977 12.794 1.00 0.00 N ATOM 414 CA ARG A 33 -5.793 -0.542 12.533 1.00 0.00 C ATOM 415 C ARG A 33 -7.207 0.059 12.523 1.00 0.00 C ATOM 416 O ARG A 33 -7.367 1.230 12.187 1.00 0.00 O ATOM 417 CB ARG A 33 -5.028 -0.273 11.232 1.00 0.00 C ATOM 418 CG ARG A 33 -3.607 -0.866 11.187 1.00 0.00 C ATOM 419 CD ARG A 33 -2.617 -0.266 12.194 1.00 0.00 C ATOM 420 NE ARG A 33 -2.867 -0.775 13.553 1.00 0.00 N ATOM 421 CZ ARG A 33 -2.645 -0.118 14.699 1.00 0.00 C ATOM 422 NH1 ARG A 33 -1.816 0.930 14.718 1.00 0.00 N ATOM 423 NH2 ARG A 33 -3.266 -0.512 15.815 1.00 0.00 N ATOM 0 H ARG A 33 -5.939 -2.535 11.951 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.275 -0.038 13.349 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.602 -0.677 10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.962 0.805 11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.673 -1.940 11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.206 -0.731 10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.597 -0.508 11.894 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.702 0.821 12.188 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.246 -1.719 13.629 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.353 1.229 13.860 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.647 1.431 15.590 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.904 -1.308 15.790 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.102 -0.017 16.692 1.00 0.00 H new ATOM 434 N LYS A 34 -8.218 -0.720 12.920 1.00 0.00 N ATOM 435 CA LYS A 34 -9.575 -0.275 13.222 1.00 0.00 C ATOM 436 C LYS A 34 -10.252 0.395 12.014 1.00 0.00 C ATOM 437 O LYS A 34 -10.986 1.370 12.173 1.00 0.00 O ATOM 438 CB LYS A 34 -9.513 0.617 14.482 1.00 0.00 C ATOM 439 CG LYS A 34 -10.665 0.436 15.481 1.00 0.00 C ATOM 440 CD LYS A 34 -11.968 1.128 15.062 1.00 0.00 C ATOM 441 CE LYS A 34 -12.970 1.035 16.230 1.00 0.00 C ATOM 442 NZ LYS A 34 -14.309 1.575 15.910 1.00 0.00 N ATOM 0 H LYS A 34 -8.103 -1.726 13.044 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.215 -1.131 13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.574 0.420 14.999 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.490 1.660 14.166 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.857 -0.629 15.610 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.355 0.824 16.451 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.778 2.171 14.808 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.380 0.653 14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.071 -0.009 16.528 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.566 1.574 17.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.839 1.732 16.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.207 2.476 15.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.823 0.896 15.313 1.00 0.00 H new ATOM 452 N MET A 35 -10.024 -0.130 10.804 1.00 0.00 N ATOM 453 CA MET A 35 -10.401 0.562 9.575 1.00 0.00 C ATOM 454 C MET A 35 -11.800 0.221 9.066 1.00 0.00 C ATOM 455 O MET A 35 -12.562 1.139 8.768 1.00 0.00 O ATOM 456 CB MET A 35 -9.346 0.346 8.482 1.00 0.00 C ATOM 457 CG MET A 35 -7.959 0.753 8.992 1.00 0.00 C ATOM 458 SD MET A 35 -6.727 1.197 7.743 1.00 0.00 S ATOM 459 CE MET A 35 -7.404 2.776 7.176 1.00 0.00 C ATOM 0 H MET A 35 -9.578 -1.035 10.654 1.00 0.00 H new ATOM 0 HA MET A 35 -10.439 1.621 9.832 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.336 -0.701 8.178 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.602 0.932 7.599 1.00 0.00 H new ATOM 0 HG2 MET A 35 -8.080 1.601 9.666 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.560 -0.070 9.585 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.700 3.249 6.491 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.349 2.603 6.662 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.571 3.429 8.033 1.00 0.00 H new ATOM 467 N THR A 36 -12.141 -1.069 8.948 1.00 0.00 N ATOM 468 CA THR A 36 -13.420 -1.532 8.398 1.00 0.00 C ATOM 469 C THR A 36 -14.582 -0.738 8.986 1.00 0.00 C ATOM 470 O THR A 36 -15.392 -0.166 8.266 1.00 0.00 O ATOM 471 CB THR A 36 -13.612 -3.017 8.722 1.00 0.00 C ATOM 472 OG1 THR A 36 -13.247 -3.239 10.074 1.00 0.00 O ATOM 473 CG2 THR A 36 -12.747 -3.887 7.817 1.00 0.00 C ATOM 0 H THR A 36 -11.527 -1.831 9.236 1.00 0.00 H new ATOM 0 HA THR A 36 -13.403 -1.384 7.318 1.00 0.00 H new ATOM 0 HB THR A 36 -14.656 -3.283 8.559 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.367 -4.186 10.294 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.901 -4.937 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.023 -3.717 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.697 -3.630 7.960 1.00 0.00 H new ATOM 481 N GLN A 37 -14.601 -0.711 10.316 1.00 0.00 N ATOM 482 CA GLN A 37 -15.435 0.110 11.181 1.00 0.00 C ATOM 483 C GLN A 37 -15.690 1.509 10.606 1.00 0.00 C ATOM 484 O GLN A 37 -16.824 1.976 10.580 1.00 0.00 O ATOM 485 CB GLN A 37 -14.695 0.228 12.516 1.00 0.00 C ATOM 486 CG GLN A 37 -14.674 -1.107 13.281 1.00 0.00 C ATOM 487 CD GLN A 37 -15.868 -1.201 14.217 1.00 0.00 C ATOM 488 OE1 GLN A 37 -15.928 -0.440 15.181 1.00 0.00 O ATOM 489 NE2 GLN A 37 -16.814 -2.094 13.951 1.00 0.00 N ATOM 0 H GLN A 37 -13.982 -1.313 10.858 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.414 -0.357 11.288 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.672 0.559 12.336 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -15.174 0.991 13.130 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.691 -1.938 12.576 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.749 -1.192 13.852 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -16.724 -2.706 13.140 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -17.631 -2.168 14.558 1.00 0.00 H new ATOM 496 N GLY A 38 -14.626 2.197 10.192 1.00 0.00 N ATOM 497 CA GLY A 38 -14.716 3.517 9.597 1.00 0.00 C ATOM 498 C GLY A 38 -15.225 3.429 8.162 1.00 0.00 C ATOM 499 O GLY A 38 -16.032 4.257 7.733 1.00 0.00 O ATOM 0 H GLY A 38 -13.672 1.845 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.385 4.142 10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.737 3.995 9.612 1.00 0.00 H new ATOM 502 N LYS A 39 -14.688 2.482 7.389 1.00 0.00 N ATOM 503 CA LYS A 39 -15.205 2.072 6.092 1.00 0.00 C ATOM 504 C LYS A 39 -14.442 0.849 5.588 1.00 0.00 C ATOM 505 O LYS A 39 -13.246 0.699 5.836 1.00 0.00 O ATOM 506 CB LYS A 39 -15.245 3.211 5.058 1.00 0.00 C ATOM 507 CG LYS A 39 -14.034 4.157 5.098 1.00 0.00 C ATOM 508 CD LYS A 39 -14.264 5.429 4.265 1.00 0.00 C ATOM 509 CE LYS A 39 -15.547 6.208 4.615 1.00 0.00 C ATOM 510 NZ LYS A 39 -15.767 6.360 6.072 1.00 0.00 N ATOM 0 H LYS A 39 -13.853 1.965 7.663 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.250 1.793 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.316 2.776 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.151 3.796 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.825 4.434 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.154 3.634 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.407 6.091 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.299 5.155 3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.499 7.196 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.404 5.696 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.608 6.950 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.911 5.424 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.936 6.814 6.503 1.00 0.00 H new ATOM 520 N CYS A 40 -15.146 -0.005 4.848 1.00 0.00 N ATOM 521 CA CYS A 40 -14.614 -1.217 4.251 1.00 0.00 C ATOM 522 C CYS A 40 -13.935 -0.826 2.943 1.00 0.00 C ATOM 523 O CYS A 40 -14.575 -0.225 2.082 1.00 0.00 O ATOM 524 CB CYS A 40 -15.784 -2.168 3.991 1.00 0.00 C ATOM 525 SG CYS A 40 -15.422 -3.538 2.873 1.00 0.00 S ATOM 0 H CYS A 40 -16.135 0.137 4.644 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.892 -1.712 4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.119 -2.576 4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.615 -1.594 3.580 1.00 0.00 H new ATOM 529 N LYS A 41 -12.630 -1.083 2.816 1.00 0.00 N ATOM 530 CA LYS A 41 -11.901 -0.682 1.623 1.00 0.00 C ATOM 531 C LYS A 41 -12.187 -1.669 0.491 1.00 0.00 C ATOM 532 O LYS A 41 -12.078 -2.874 0.702 1.00 0.00 O ATOM 533 CB LYS A 41 -10.397 -0.606 1.905 1.00 0.00 C ATOM 534 CG LYS A 41 -10.038 0.654 2.702 1.00 0.00 C ATOM 535 CD LYS A 41 -8.529 0.889 2.597 1.00 0.00 C ATOM 536 CE LYS A 41 -8.095 2.152 3.350 1.00 0.00 C ATOM 537 NZ LYS A 41 -6.689 2.494 3.054 1.00 0.00 N ATOM 0 H LYS A 41 -12.067 -1.562 3.519 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.235 0.311 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.085 -1.490 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.848 -0.611 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.582 1.515 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.330 0.537 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.998 0.026 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.247 0.977 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.741 2.985 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.217 1.999 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.324 3.131 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.118 1.625 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.634 2.967 2.130 1.00 0.00 H new ATOM 547 N PRO A 42 -12.500 -1.189 -0.720 1.00 0.00 N ATOM 548 CA PRO A 42 -12.570 -2.051 -1.880 1.00 0.00 C ATOM 549 C PRO A 42 -11.168 -2.487 -2.304 1.00 0.00 C ATOM 550 O PRO A 42 -11.017 -3.616 -2.760 1.00 0.00 O ATOM 551 CB PRO A 42 -13.295 -1.232 -2.948 1.00 0.00 C ATOM 552 CG PRO A 42 -12.943 0.214 -2.597 1.00 0.00 C ATOM 553 CD PRO A 42 -12.785 0.195 -1.074 1.00 0.00 C ATOM 0 HA PRO A 42 -13.109 -2.979 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.958 -1.494 -3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.372 -1.400 -2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.025 0.533 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.728 0.903 -2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.977 0.854 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.693 0.545 -0.583 1.00 0.00 H new ATOM 558 N VAL A 43 -10.156 -1.617 -2.163 1.00 0.00 N ATOM 559 CA VAL A 43 -8.775 -1.880 -2.552 1.00 0.00 C ATOM 560 C VAL A 43 -7.805 -1.307 -1.513 1.00 0.00 C ATOM 561 O VAL A 43 -8.092 -0.262 -0.924 1.00 0.00 O ATOM 562 CB VAL A 43 -8.483 -1.271 -3.941 1.00 0.00 C ATOM 563 CG1 VAL A 43 -9.355 -1.891 -5.037 1.00 0.00 C ATOM 564 CG2 VAL A 43 -8.664 0.254 -3.988 1.00 0.00 C ATOM 0 H VAL A 43 -10.287 -0.688 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.633 -2.959 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.434 -1.503 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.115 -1.432 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.165 -2.963 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.406 -1.720 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.443 0.616 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.692 0.506 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.985 0.723 -3.276 1.00 0.00 H new ATOM 574 N ASN A 44 -6.656 -1.963 -1.301 1.00 0.00 N ATOM 575 CA ASN A 44 -5.550 -1.456 -0.493 1.00 0.00 C ATOM 576 C ASN A 44 -4.313 -2.329 -0.717 1.00 0.00 C ATOM 577 O ASN A 44 -4.298 -3.483 -0.306 1.00 0.00 O ATOM 578 CB ASN A 44 -5.933 -1.474 0.997 1.00 0.00 C ATOM 579 CG ASN A 44 -4.977 -0.675 1.888 1.00 0.00 C ATOM 580 OD1 ASN A 44 -5.417 0.230 2.593 1.00 0.00 O ATOM 581 ND2 ASN A 44 -3.679 -0.960 1.902 1.00 0.00 N ATOM 0 H ASN A 44 -6.470 -2.884 -1.699 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.331 -0.430 -0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.940 -1.073 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.961 -2.507 1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.046 -0.427 2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.316 -1.712 1.316 1.00 0.00 H new ATOM 587 N THR A 45 -3.231 -1.800 -1.283 1.00 0.00 N ATOM 588 CA THR A 45 -2.032 -2.609 -1.459 1.00 0.00 C ATOM 589 C THR A 45 -1.272 -2.683 -0.137 1.00 0.00 C ATOM 590 O THR A 45 -0.960 -1.640 0.438 1.00 0.00 O ATOM 591 CB THR A 45 -1.171 -2.026 -2.577 1.00 0.00 C ATOM 592 OG1 THR A 45 -1.992 -1.725 -3.686 1.00 0.00 O ATOM 593 CG2 THR A 45 -0.070 -3.000 -3.007 1.00 0.00 C ATOM 0 H THR A 45 -3.160 -0.840 -1.619 1.00 0.00 H new ATOM 0 HA THR A 45 -2.305 -3.624 -1.750 1.00 0.00 H new ATOM 0 HB THR A 45 -0.692 -1.122 -2.202 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.443 -2.540 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.522 -2.551 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.574 -3.220 -2.156 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.522 -3.924 -3.368 1.00 0.00 H new ATOM 601 N PHE A 46 -1.015 -3.888 0.381 1.00 0.00 N ATOM 602 CA PHE A 46 -0.269 -4.057 1.621 1.00 0.00 C ATOM 603 C PHE A 46 1.197 -4.339 1.290 1.00 0.00 C ATOM 604 O PHE A 46 1.455 -5.109 0.371 1.00 0.00 O ATOM 605 CB PHE A 46 -0.786 -5.256 2.404 1.00 0.00 C ATOM 606 CG PHE A 46 -2.121 -5.196 3.096 1.00 0.00 C ATOM 607 CD1 PHE A 46 -3.082 -4.218 2.798 1.00 0.00 C ATOM 608 CD2 PHE A 46 -2.352 -6.107 4.135 1.00 0.00 C ATOM 609 CE1 PHE A 46 -4.203 -4.069 3.625 1.00 0.00 C ATOM 610 CE2 PHE A 46 -3.434 -5.920 4.995 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.366 -4.907 4.739 1.00 0.00 C ATOM 0 H PHE A 46 -1.317 -4.763 -0.047 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.383 -3.147 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.818 -6.101 1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.040 -5.491 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.958 -3.582 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.694 -6.952 4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.940 -3.311 3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.553 -6.557 5.859 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.210 -4.770 5.399 1.00 0.00 H new ATOM 620 N VAL A 47 2.151 -3.762 2.025 1.00 0.00 N ATOM 621 CA VAL A 47 3.582 -3.933 1.749 1.00 0.00 C ATOM 622 C VAL A 47 4.262 -4.796 2.826 1.00 0.00 C ATOM 623 O VAL A 47 3.919 -4.693 3.997 1.00 0.00 O ATOM 624 CB VAL A 47 4.227 -2.543 1.605 1.00 0.00 C ATOM 625 CG1 VAL A 47 5.749 -2.628 1.440 1.00 0.00 C ATOM 626 CG2 VAL A 47 3.646 -1.806 0.387 1.00 0.00 C ATOM 0 H VAL A 47 1.955 -3.164 2.827 1.00 0.00 H new ATOM 0 HA VAL A 47 3.717 -4.474 0.812 1.00 0.00 H new ATOM 0 HB VAL A 47 4.004 -1.998 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.161 -1.624 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.183 -3.115 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.986 -3.206 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.112 -0.825 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.843 -2.384 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.570 -1.686 0.513 1.00 0.00 H new ATOM 636 N HIS A 48 5.237 -5.638 2.454 1.00 0.00 N ATOM 637 CA HIS A 48 6.049 -6.385 3.419 1.00 0.00 C ATOM 638 C HIS A 48 7.523 -5.983 3.289 1.00 0.00 C ATOM 639 O HIS A 48 8.259 -6.591 2.514 1.00 0.00 O ATOM 640 CB HIS A 48 5.829 -7.901 3.249 1.00 0.00 C ATOM 641 CG HIS A 48 4.598 -8.420 3.963 1.00 0.00 C ATOM 642 ND1 HIS A 48 4.570 -9.237 5.089 1.00 0.00 N ATOM 643 CD2 HIS A 48 3.310 -8.046 3.688 1.00 0.00 C ATOM 644 CE1 HIS A 48 3.287 -9.352 5.474 1.00 0.00 C ATOM 645 NE2 HIS A 48 2.512 -8.637 4.644 1.00 0.00 N ATOM 0 H HIS A 48 5.482 -5.818 1.480 1.00 0.00 H new ATOM 0 HA HIS A 48 5.735 -6.134 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.746 -8.131 2.187 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.705 -8.431 3.622 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.982 -7.411 2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.936 -9.928 6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.498 -8.546 4.710 1.00 0.00 H new ATOM 653 N GLU A 49 7.947 -4.987 4.080 1.00 0.00 N ATOM 654 CA GLU A 49 9.346 -4.590 4.279 1.00 0.00 C ATOM 655 C GLU A 49 9.480 -3.920 5.660 1.00 0.00 C ATOM 656 O GLU A 49 8.875 -4.432 6.598 1.00 0.00 O ATOM 657 CB GLU A 49 9.879 -3.780 3.089 1.00 0.00 C ATOM 658 CG GLU A 49 9.085 -2.499 2.804 1.00 0.00 C ATOM 659 CD GLU A 49 9.998 -1.289 2.840 1.00 0.00 C ATOM 660 OE1 GLU A 49 10.344 -0.885 3.975 1.00 0.00 O ATOM 661 OE2 GLU A 49 10.334 -0.786 1.749 1.00 0.00 O ATOM 0 H GLU A 49 7.298 -4.414 4.619 1.00 0.00 H new ATOM 0 HA GLU A 49 10.000 -5.462 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.920 -3.516 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.867 -4.409 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.605 -2.571 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.291 -2.385 3.542 1.00 0.00 H new ATOM 666 N SER A 50 10.192 -2.802 5.853 1.00 0.00 N ATOM 667 CA SER A 50 10.277 -2.181 7.178 1.00 0.00 C ATOM 668 C SER A 50 10.896 -0.778 7.134 1.00 0.00 C ATOM 669 O SER A 50 12.034 -0.624 6.688 1.00 0.00 O ATOM 670 CB SER A 50 11.056 -3.059 8.168 1.00 0.00 C ATOM 671 OG SER A 50 12.388 -3.232 7.721 1.00 0.00 O ATOM 0 H SER A 50 10.709 -2.316 5.120 1.00 0.00 H new ATOM 0 HA SER A 50 9.248 -2.083 7.525 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.053 -2.598 9.156 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.569 -4.029 8.267 1.00 0.00 H new ATOM 0 HG SER A 50 12.718 -2.391 7.342 1.00 0.00 H new ATOM 676 N LEU A 51 10.164 0.192 7.695 1.00 0.00 N ATOM 677 CA LEU A 51 10.454 1.610 7.886 1.00 0.00 C ATOM 678 C LEU A 51 11.616 2.173 7.073 1.00 0.00 C ATOM 679 O LEU A 51 11.389 2.893 6.105 1.00 0.00 O ATOM 680 CB LEU A 51 10.552 1.902 9.395 1.00 0.00 C ATOM 681 CG LEU A 51 10.529 3.391 9.792 1.00 0.00 C ATOM 682 CD1 LEU A 51 10.224 3.487 11.292 1.00 0.00 C ATOM 683 CD2 LEU A 51 11.843 4.137 9.524 1.00 0.00 C ATOM 0 H LEU A 51 9.242 -0.031 8.070 1.00 0.00 H new ATOM 0 HA LEU A 51 9.615 2.163 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.726 1.398 9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.473 1.459 9.773 1.00 0.00 H new ATOM 0 HG LEU A 51 9.767 3.864 9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.203 4.534 11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.255 3.032 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.997 2.963 11.855 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.740 5.177 9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.649 3.669 10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.075 4.095 8.460 1.00 0.00 H new ATOM 694 N ALA A 52 12.855 1.913 7.495 1.00 0.00 N ATOM 695 CA ALA A 52 14.035 2.496 6.875 1.00 0.00 C ATOM 696 C ALA A 52 14.067 2.220 5.372 1.00 0.00 C ATOM 697 O ALA A 52 14.496 3.079 4.601 1.00 0.00 O ATOM 698 CB ALA A 52 15.293 1.940 7.550 1.00 0.00 C ATOM 0 H ALA A 52 13.063 1.292 8.277 1.00 0.00 H new ATOM 0 HA ALA A 52 14.000 3.577 7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.178 2.376 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.278 2.191 8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.319 0.856 7.434 1.00 0.00 H new ATOM 704 N ASP A 53 13.606 1.040 4.948 1.00 0.00 N ATOM 705 CA ASP A 53 13.675 0.689 3.537 1.00 0.00 C ATOM 706 C ASP A 53 12.643 1.516 2.778 1.00 0.00 C ATOM 707 O ASP A 53 13.014 2.249 1.865 1.00 0.00 O ATOM 708 CB ASP A 53 13.591 -0.831 3.317 1.00 0.00 C ATOM 709 CG ASP A 53 14.771 -1.350 2.498 1.00 0.00 C ATOM 710 OD1 ASP A 53 15.915 -0.882 2.698 1.00 0.00 O ATOM 711 OD2 ASP A 53 14.566 -2.167 1.572 1.00 0.00 O ATOM 0 H ASP A 53 13.191 0.329 5.550 1.00 0.00 H new ATOM 0 HA ASP A 53 14.651 0.946 3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.567 -1.337 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.659 -1.074 2.806 1.00 0.00 H new ATOM 715 N VAL A 54 11.385 1.512 3.222 1.00 0.00 N ATOM 716 CA VAL A 54 10.349 2.427 2.746 1.00 0.00 C ATOM 717 C VAL A 54 10.870 3.881 2.710 1.00 0.00 C ATOM 718 O VAL A 54 10.627 4.620 1.753 1.00 0.00 O ATOM 719 CB VAL A 54 9.043 2.208 3.555 1.00 0.00 C ATOM 720 CG1 VAL A 54 8.361 3.470 4.087 1.00 0.00 C ATOM 721 CG2 VAL A 54 7.987 1.515 2.679 1.00 0.00 C ATOM 0 H VAL A 54 11.053 0.862 3.934 1.00 0.00 H new ATOM 0 HA VAL A 54 10.092 2.208 1.710 1.00 0.00 H new ATOM 0 HB VAL A 54 9.377 1.617 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.460 3.193 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.043 3.999 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.093 4.118 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.075 1.367 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.769 2.137 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.367 0.549 2.347 1.00 0.00 H new ATOM 731 N LYS A 55 11.622 4.300 3.733 1.00 0.00 N ATOM 732 CA LYS A 55 12.219 5.628 3.799 1.00 0.00 C ATOM 733 C LYS A 55 13.319 5.828 2.742 1.00 0.00 C ATOM 734 O LYS A 55 13.509 6.944 2.262 1.00 0.00 O ATOM 735 CB LYS A 55 12.724 5.920 5.217 1.00 0.00 C ATOM 736 CG LYS A 55 13.163 7.389 5.328 1.00 0.00 C ATOM 737 CD LYS A 55 14.692 7.510 5.211 1.00 0.00 C ATOM 738 CE LYS A 55 15.160 8.825 4.561 1.00 0.00 C ATOM 739 NZ LYS A 55 14.579 10.033 5.182 1.00 0.00 N ATOM 0 H LYS A 55 11.832 3.718 4.544 1.00 0.00 H new ATOM 0 HA LYS A 55 11.440 6.353 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.937 5.711 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.560 5.263 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.686 7.977 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.832 7.801 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.131 7.430 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.071 6.671 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.247 8.883 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.899 8.810 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.963 10.881 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.545 10.016 5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.820 10.053 6.194 1.00 0.00 H new ATOM 749 N ALA A 56 14.076 4.787 2.387 1.00 0.00 N ATOM 750 CA ALA A 56 15.043 4.867 1.296 1.00 0.00 C ATOM 751 C ALA A 56 14.296 4.963 -0.039 1.00 0.00 C ATOM 752 O ALA A 56 14.489 5.913 -0.797 1.00 0.00 O ATOM 753 CB ALA A 56 15.991 3.664 1.333 1.00 0.00 C ATOM 0 H ALA A 56 14.035 3.876 2.843 1.00 0.00 H new ATOM 0 HA ALA A 56 15.654 5.762 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.706 3.739 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.527 3.652 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.416 2.744 1.230 1.00 0.00 H new ATOM 759 N VAL A 57 13.410 3.992 -0.284 1.00 0.00 N ATOM 760 CA VAL A 57 12.463 3.916 -1.392 1.00 0.00 C ATOM 761 C VAL A 57 11.886 5.300 -1.710 1.00 0.00 C ATOM 762 O VAL A 57 11.954 5.748 -2.856 1.00 0.00 O ATOM 763 CB VAL A 57 11.382 2.884 -1.025 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.070 3.046 -1.798 1.00 0.00 C ATOM 765 CG2 VAL A 57 11.930 1.454 -1.134 1.00 0.00 C ATOM 0 H VAL A 57 13.334 3.183 0.333 1.00 0.00 H new ATOM 0 HA VAL A 57 12.960 3.587 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 57 11.123 3.082 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.363 2.280 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.650 4.032 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.262 2.941 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.147 0.743 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.259 1.267 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.773 1.335 -0.454 1.00 0.00 H new ATOM 775 N CYS A 58 11.367 5.981 -0.681 1.00 0.00 N ATOM 776 CA CYS A 58 10.881 7.362 -0.730 1.00 0.00 C ATOM 777 C CYS A 58 11.689 8.286 -1.651 1.00 0.00 C ATOM 778 O CYS A 58 11.097 9.150 -2.290 1.00 0.00 O ATOM 779 CB CYS A 58 10.825 7.951 0.689 1.00 0.00 C ATOM 780 SG CYS A 58 11.523 9.619 0.868 1.00 0.00 S ATOM 0 H CYS A 58 11.271 5.566 0.246 1.00 0.00 H new ATOM 0 HA CYS A 58 9.882 7.310 -1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.785 7.974 1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 58 11.355 7.279 1.364 1.00 0.00 H new ATOM 784 N SER A 59 13.019 8.162 -1.680 1.00 0.00 N ATOM 785 CA SER A 59 13.889 9.059 -2.434 1.00 0.00 C ATOM 786 C SER A 59 14.765 8.263 -3.406 1.00 0.00 C ATOM 787 O SER A 59 15.884 8.676 -3.704 1.00 0.00 O ATOM 788 CB SER A 59 14.734 9.869 -1.437 1.00 0.00 C ATOM 789 OG SER A 59 15.134 11.105 -1.998 1.00 0.00 O ATOM 0 H SER A 59 13.522 7.431 -1.177 1.00 0.00 H new ATOM 0 HA SER A 59 13.294 9.747 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.159 10.047 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.614 9.294 -1.150 1.00 0.00 H new ATOM 0 HG SER A 59 15.669 11.603 -1.345 1.00 0.00 H new ATOM 794 N GLN A 60 14.290 7.104 -3.878 1.00 0.00 N ATOM 795 CA GLN A 60 15.138 6.186 -4.622 1.00 0.00 C ATOM 796 C GLN A 60 15.080 6.464 -6.129 1.00 0.00 C ATOM 797 O GLN A 60 16.061 6.951 -6.686 1.00 0.00 O ATOM 798 CB GLN A 60 14.803 4.750 -4.223 1.00 0.00 C ATOM 799 CG GLN A 60 15.964 3.784 -4.459 1.00 0.00 C ATOM 800 CD GLN A 60 16.998 3.823 -3.337 1.00 0.00 C ATOM 801 OE1 GLN A 60 16.862 3.114 -2.345 1.00 0.00 O ATOM 802 NE2 GLN A 60 18.047 4.625 -3.488 1.00 0.00 N ATOM 0 H GLN A 60 13.328 6.788 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 60 16.184 6.345 -4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.525 4.726 -3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.935 4.413 -4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.575 2.770 -4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.449 4.029 -5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.131 5.202 -4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.768 4.663 -2.767 1.00 0.00 H new ATOM 809 N LYS A 61 13.964 6.157 -6.805 1.00 0.00 N ATOM 810 CA LYS A 61 13.730 6.567 -8.189 1.00 0.00 C ATOM 811 C LYS A 61 12.509 7.487 -8.220 1.00 0.00 C ATOM 812 O LYS A 61 11.387 7.018 -8.057 1.00 0.00 O ATOM 813 CB LYS A 61 13.497 5.348 -9.101 1.00 0.00 C ATOM 814 CG LYS A 61 14.747 4.795 -9.801 1.00 0.00 C ATOM 815 CD LYS A 61 15.773 4.128 -8.876 1.00 0.00 C ATOM 816 CE LYS A 61 15.192 3.028 -7.974 1.00 0.00 C ATOM 817 NZ LYS A 61 14.507 1.949 -8.716 1.00 0.00 N ATOM 0 H LYS A 61 13.199 5.616 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 61 14.610 7.091 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.053 4.550 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.767 5.621 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.433 4.070 -10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.237 5.611 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.569 3.699 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.229 4.893 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.997 2.594 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.488 3.479 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.040 1.308 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.795 2.362 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.203 1.416 -9.276 1.00 0.00 H new ATOM 827 N LYS A 62 12.698 8.786 -8.456 1.00 0.00 N ATOM 828 CA LYS A 62 11.589 9.692 -8.730 1.00 0.00 C ATOM 829 C LYS A 62 10.928 9.244 -10.040 1.00 0.00 C ATOM 830 O LYS A 62 11.595 9.260 -11.073 1.00 0.00 O ATOM 831 CB LYS A 62 12.147 11.125 -8.844 1.00 0.00 C ATOM 832 CG LYS A 62 11.100 12.251 -8.865 1.00 0.00 C ATOM 833 CD LYS A 62 10.110 12.160 -10.038 1.00 0.00 C ATOM 834 CE LYS A 62 9.380 13.468 -10.368 1.00 0.00 C ATOM 835 NZ LYS A 62 10.209 14.392 -11.168 1.00 0.00 N ATOM 0 H LYS A 62 13.615 9.233 -8.462 1.00 0.00 H new ATOM 0 HA LYS A 62 10.845 9.675 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.823 11.299 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.743 11.191 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.542 12.232 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.614 13.211 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.649 11.828 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.368 11.394 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.464 13.241 -10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.085 13.960 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.671 15.260 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.071 14.632 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.470 13.936 -12.066 1.00 0.00 H new ATOM 845 N VAL A 63 9.640 8.884 -10.022 1.00 0.00 N ATOM 846 CA VAL A 63 8.858 8.665 -11.233 1.00 0.00 C ATOM 847 C VAL A 63 7.618 9.568 -11.212 1.00 0.00 C ATOM 848 O VAL A 63 7.302 10.196 -10.200 1.00 0.00 O ATOM 849 CB VAL A 63 8.562 7.165 -11.467 1.00 0.00 C ATOM 850 CG1 VAL A 63 9.850 6.343 -11.328 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.498 6.527 -10.563 1.00 0.00 C ATOM 0 H VAL A 63 9.113 8.737 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 63 9.442 8.956 -12.106 1.00 0.00 H new ATOM 0 HB VAL A 63 8.152 7.143 -12.477 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.629 5.289 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.579 6.682 -12.064 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.259 6.474 -10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.382 5.475 -10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.808 6.610 -9.521 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.547 7.042 -10.700 1.00 0.00 H new ATOM 861 N THR A 64 6.944 9.685 -12.354 1.00 0.00 N ATOM 862 CA THR A 64 5.750 10.502 -12.497 1.00 0.00 C ATOM 863 C THR A 64 4.596 9.543 -12.751 1.00 0.00 C ATOM 864 O THR A 64 4.659 8.751 -13.692 1.00 0.00 O ATOM 865 CB THR A 64 5.942 11.496 -13.652 1.00 0.00 C ATOM 866 OG1 THR A 64 7.176 12.177 -13.499 1.00 0.00 O ATOM 867 CG2 THR A 64 4.818 12.538 -13.682 1.00 0.00 C ATOM 0 H THR A 64 7.218 9.208 -13.213 1.00 0.00 H new ATOM 0 HA THR A 64 5.546 11.094 -11.605 1.00 0.00 H new ATOM 0 HB THR A 64 5.929 10.928 -14.582 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.295 12.809 -14.239 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.983 13.227 -14.511 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.860 12.036 -13.813 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.812 13.093 -12.744 1.00 0.00 H new ATOM 875 N CYS A 65 3.562 9.584 -11.908 1.00 0.00 N ATOM 876 CA CYS A 65 2.352 8.808 -12.140 1.00 0.00 C ATOM 877 C CYS A 65 1.732 9.205 -13.483 1.00 0.00 C ATOM 878 O CYS A 65 1.991 10.299 -13.987 1.00 0.00 O ATOM 879 CB CYS A 65 1.340 9.049 -11.016 1.00 0.00 C ATOM 880 SG CYS A 65 1.700 8.322 -9.403 1.00 0.00 S ATOM 0 H CYS A 65 3.543 10.149 -11.059 1.00 0.00 H new ATOM 0 HA CYS A 65 2.613 7.750 -12.158 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.234 10.126 -10.884 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.373 8.671 -11.347 1.00 0.00 H new ATOM 884 N LYS A 66 0.865 8.358 -14.049 1.00 0.00 N ATOM 885 CA LYS A 66 0.105 8.676 -15.257 1.00 0.00 C ATOM 886 C LYS A 66 -1.049 9.629 -14.900 1.00 0.00 C ATOM 887 O LYS A 66 -2.217 9.320 -15.133 1.00 0.00 O ATOM 888 CB LYS A 66 -0.391 7.367 -15.890 1.00 0.00 C ATOM 889 CG LYS A 66 -0.927 7.577 -17.318 1.00 0.00 C ATOM 890 CD LYS A 66 -2.116 6.658 -17.641 1.00 0.00 C ATOM 891 CE LYS A 66 -3.396 7.148 -16.940 1.00 0.00 C ATOM 892 NZ LYS A 66 -4.586 6.363 -17.322 1.00 0.00 N ATOM 0 H LYS A 66 0.672 7.428 -13.678 1.00 0.00 H new ATOM 0 HA LYS A 66 0.731 9.186 -15.989 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.425 6.645 -15.913 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.178 6.940 -15.268 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.232 8.616 -17.439 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.126 7.394 -18.034 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.276 6.629 -18.719 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.890 5.640 -17.324 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.259 7.092 -15.860 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.562 8.197 -17.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.420 6.733 -16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.736 6.437 -18.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.442 5.366 -17.064 1.00 0.00 H new ATOM 902 N ASP A 67 -0.696 10.772 -14.310 1.00 0.00 N ATOM 903 CA ASP A 67 -1.566 11.736 -13.650 1.00 0.00 C ATOM 904 C ASP A 67 -0.629 12.825 -13.107 1.00 0.00 C ATOM 905 O ASP A 67 -0.521 13.900 -13.689 1.00 0.00 O ATOM 906 CB ASP A 67 -2.432 11.016 -12.596 1.00 0.00 C ATOM 907 CG ASP A 67 -2.641 11.774 -11.297 1.00 0.00 C ATOM 908 OD1 ASP A 67 -1.743 11.618 -10.438 1.00 0.00 O ATOM 909 OD2 ASP A 67 -3.657 12.490 -11.181 1.00 0.00 O ATOM 0 H ASP A 67 0.280 11.066 -14.281 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.295 12.209 -14.308 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.407 10.805 -13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.971 10.055 -12.366 1.00 0.00 H new ATOM 913 N GLY A 68 0.131 12.499 -12.061 1.00 0.00 N ATOM 914 CA GLY A 68 1.183 13.337 -11.499 1.00 0.00 C ATOM 915 C GLY A 68 0.652 14.272 -10.413 1.00 0.00 C ATOM 916 O GLY A 68 1.218 15.337 -10.178 1.00 0.00 O ATOM 0 H GLY A 68 0.025 11.613 -11.567 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.966 12.704 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.640 13.927 -12.294 1.00 0.00 H new ATOM 919 N GLN A 69 -0.425 13.869 -9.733 1.00 0.00 N ATOM 920 CA GLN A 69 -1.046 14.615 -8.651 1.00 0.00 C ATOM 921 C GLN A 69 -0.123 14.668 -7.435 1.00 0.00 C ATOM 922 O GLN A 69 -0.113 15.660 -6.708 1.00 0.00 O ATOM 923 CB GLN A 69 -2.385 13.944 -8.336 1.00 0.00 C ATOM 924 CG GLN A 69 -3.268 14.740 -7.372 1.00 0.00 C ATOM 925 CD GLN A 69 -4.595 14.031 -7.099 1.00 0.00 C ATOM 926 OE1 GLN A 69 -5.070 14.019 -5.969 1.00 0.00 O ATOM 927 NE2 GLN A 69 -5.210 13.428 -8.116 1.00 0.00 N ATOM 0 H GLN A 69 -0.898 12.987 -9.931 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.223 15.651 -8.942 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.930 13.788 -9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.195 12.959 -7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.736 14.890 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.463 15.728 -7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.796 13.451 -9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.094 12.944 -7.962 1.00 0.00 H new ATOM 934 N THR A 70 0.650 13.601 -7.216 1.00 0.00 N ATOM 935 CA THR A 70 1.746 13.579 -6.260 1.00 0.00 C ATOM 936 C THR A 70 3.038 13.263 -7.014 1.00 0.00 C ATOM 937 O THR A 70 3.016 12.917 -8.195 1.00 0.00 O ATOM 938 CB THR A 70 1.476 12.582 -5.118 1.00 0.00 C ATOM 939 OG1 THR A 70 2.479 12.735 -4.131 1.00 0.00 O ATOM 940 CG2 THR A 70 1.454 11.122 -5.586 1.00 0.00 C ATOM 0 H THR A 70 0.525 12.717 -7.709 1.00 0.00 H new ATOM 0 HA THR A 70 1.844 14.555 -5.785 1.00 0.00 H new ATOM 0 HB THR A 70 0.486 12.806 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.315 12.106 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.259 10.470 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.669 10.990 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.418 10.866 -6.026 1.00 0.00 H new ATOM 948 N ASN A 71 4.159 13.359 -6.302 1.00 0.00 N ATOM 949 CA ASN A 71 5.455 12.891 -6.763 1.00 0.00 C ATOM 950 C ASN A 71 5.531 11.417 -6.368 1.00 0.00 C ATOM 951 O ASN A 71 5.298 11.092 -5.205 1.00 0.00 O ATOM 952 CB ASN A 71 6.555 13.754 -6.146 1.00 0.00 C ATOM 953 CG ASN A 71 7.910 13.482 -6.787 1.00 0.00 C ATOM 954 OD1 ASN A 71 8.073 12.547 -7.563 1.00 0.00 O ATOM 955 ND2 ASN A 71 8.897 14.321 -6.489 1.00 0.00 N ATOM 0 H ASN A 71 4.187 13.773 -5.370 1.00 0.00 H new ATOM 0 HA ASN A 71 5.590 12.977 -7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.301 14.807 -6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.613 13.559 -5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.818 14.195 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.734 15.091 -5.840 1.00 0.00 H new ATOM 961 N CYS A 72 5.757 10.528 -7.338 1.00 0.00 N ATOM 962 CA CYS A 72 5.570 9.093 -7.169 1.00 0.00 C ATOM 963 C CYS A 72 6.945 8.428 -7.177 1.00 0.00 C ATOM 964 O CYS A 72 7.594 8.346 -8.212 1.00 0.00 O ATOM 965 CB CYS A 72 4.611 8.562 -8.254 1.00 0.00 C ATOM 966 SG CYS A 72 3.104 9.551 -8.477 1.00 0.00 S ATOM 0 H CYS A 72 6.078 10.791 -8.270 1.00 0.00 H new ATOM 0 HA CYS A 72 5.099 8.856 -6.215 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.145 8.518 -9.203 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.326 7.541 -8.001 1.00 0.00 H new ATOM 970 N TYR A 73 7.448 8.013 -6.016 1.00 0.00 N ATOM 971 CA TYR A 73 8.816 7.541 -5.860 1.00 0.00 C ATOM 972 C TYR A 73 8.855 6.011 -5.877 1.00 0.00 C ATOM 973 O TYR A 73 8.325 5.361 -4.975 1.00 0.00 O ATOM 974 CB TYR A 73 9.395 8.111 -4.570 1.00 0.00 C ATOM 975 CG TYR A 73 9.227 9.614 -4.460 1.00 0.00 C ATOM 976 CD1 TYR A 73 10.204 10.490 -4.959 1.00 0.00 C ATOM 977 CD2 TYR A 73 8.052 10.142 -3.903 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.059 11.874 -4.763 1.00 0.00 C ATOM 979 CE2 TYR A 73 7.924 11.523 -3.702 1.00 0.00 C ATOM 980 CZ TYR A 73 8.997 12.366 -3.990 1.00 0.00 C ATOM 981 OH TYR A 73 8.947 13.667 -3.582 1.00 0.00 O ATOM 0 H TYR A 73 6.909 7.996 -5.150 1.00 0.00 H new ATOM 0 HA TYR A 73 9.428 7.886 -6.693 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.911 7.633 -3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.455 7.864 -4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 73 11.061 10.103 -5.490 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.243 9.481 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.766 12.559 -5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.998 11.933 -3.326 1.00 0.00 H new ATOM 0 HH TYR A 73 8.454 13.726 -2.737 1.00 0.00 H new ATOM 990 N GLN A 74 9.477 5.454 -6.917 1.00 0.00 N ATOM 991 CA GLN A 74 9.647 4.032 -7.158 1.00 0.00 C ATOM 992 C GLN A 74 10.775 3.472 -6.288 1.00 0.00 C ATOM 993 O GLN A 74 11.858 4.056 -6.193 1.00 0.00 O ATOM 994 CB GLN A 74 9.955 3.833 -8.651 1.00 0.00 C ATOM 995 CG GLN A 74 10.206 2.374 -9.068 1.00 0.00 C ATOM 996 CD GLN A 74 11.078 2.313 -10.316 1.00 0.00 C ATOM 997 OE1 GLN A 74 12.300 2.188 -10.217 1.00 0.00 O ATOM 998 NE2 GLN A 74 10.474 2.406 -11.495 1.00 0.00 N ATOM 0 H GLN A 74 9.898 6.022 -7.653 1.00 0.00 H new ATOM 0 HA GLN A 74 8.736 3.495 -6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.122 4.225 -9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.832 4.426 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.690 1.836 -8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.255 1.876 -9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.460 2.509 -11.542 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.024 2.375 -12.354 1.00 0.00 H new ATOM 1005 N SER A 75 10.522 2.299 -5.704 1.00 0.00 N ATOM 1006 CA SER A 75 11.460 1.542 -4.892 1.00 0.00 C ATOM 1007 C SER A 75 12.732 1.122 -5.632 1.00 0.00 C ATOM 1008 O SER A 75 12.799 1.118 -6.863 1.00 0.00 O ATOM 1009 CB SER A 75 10.704 0.344 -4.300 1.00 0.00 C ATOM 1010 OG SER A 75 10.155 -0.474 -5.318 1.00 0.00 O ATOM 0 H SER A 75 9.617 1.836 -5.792 1.00 0.00 H new ATOM 0 HA SER A 75 11.831 2.188 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.381 -0.246 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.907 0.701 -3.648 1.00 0.00 H new ATOM 0 HG SER A 75 10.751 -1.234 -5.484 1.00 0.00 H new ATOM 1015 N LYS A 76 13.758 0.761 -4.853 1.00 0.00 N ATOM 1016 CA LYS A 76 15.044 0.270 -5.328 1.00 0.00 C ATOM 1017 C LYS A 76 14.851 -0.790 -6.415 1.00 0.00 C ATOM 1018 O LYS A 76 15.322 -0.627 -7.541 1.00 0.00 O ATOM 1019 CB LYS A 76 15.921 -0.194 -4.141 1.00 0.00 C ATOM 1020 CG LYS A 76 15.173 -1.005 -3.070 1.00 0.00 C ATOM 1021 CD LYS A 76 16.076 -1.658 -2.015 1.00 0.00 C ATOM 1022 CE LYS A 76 16.402 -0.718 -0.844 1.00 0.00 C ATOM 1023 NZ LYS A 76 16.761 -1.480 0.370 1.00 0.00 N ATOM 0 H LYS A 76 13.707 0.807 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 76 15.593 1.083 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.742 -0.798 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.365 0.683 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.464 -0.349 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.591 -1.784 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.588 -2.554 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.005 -1.978 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.226 -0.061 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.542 -0.081 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.843 -0.829 1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.023 -2.185 0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.670 -1.963 0.221 1.00 0.00 H new ATOM 1033 N SER A 77 14.097 -1.826 -6.071 1.00 0.00 N ATOM 1034 CA SER A 77 13.906 -3.066 -6.790 1.00 0.00 C ATOM 1035 C SER A 77 12.445 -3.468 -6.579 1.00 0.00 C ATOM 1036 O SER A 77 11.666 -2.690 -6.022 1.00 0.00 O ATOM 1037 CB SER A 77 14.871 -4.087 -6.167 1.00 0.00 C ATOM 1038 OG SER A 77 14.804 -3.972 -4.755 1.00 0.00 O ATOM 0 H SER A 77 13.559 -1.812 -5.205 1.00 0.00 H new ATOM 0 HA SER A 77 14.106 -2.994 -7.859 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.604 -5.097 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.889 -3.906 -6.513 1.00 0.00 H new ATOM 0 HG SER A 77 15.414 -4.620 -4.345 1.00 0.00 H new ATOM 1043 N THR A 78 12.063 -4.664 -7.021 1.00 0.00 N ATOM 1044 CA THR A 78 10.786 -5.251 -6.680 1.00 0.00 C ATOM 1045 C THR A 78 10.798 -5.645 -5.195 1.00 0.00 C ATOM 1046 O THR A 78 11.823 -6.087 -4.678 1.00 0.00 O ATOM 1047 CB THR A 78 10.568 -6.451 -7.611 1.00 0.00 C ATOM 1048 OG1 THR A 78 11.786 -7.164 -7.731 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.176 -5.984 -9.017 1.00 0.00 C ATOM 0 H THR A 78 12.638 -5.249 -7.627 1.00 0.00 H new ATOM 0 HA THR A 78 9.960 -4.553 -6.817 1.00 0.00 H new ATOM 0 HB THR A 78 9.776 -7.071 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.657 -7.934 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.027 -6.851 -9.660 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.252 -5.408 -8.965 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.970 -5.360 -9.428 1.00 0.00 H new ATOM 1057 N MET A 79 9.672 -5.461 -4.502 1.00 0.00 N ATOM 1058 CA MET A 79 9.462 -5.832 -3.112 1.00 0.00 C ATOM 1059 C MET A 79 8.145 -6.596 -3.009 1.00 0.00 C ATOM 1060 O MET A 79 7.291 -6.485 -3.889 1.00 0.00 O ATOM 1061 CB MET A 79 9.399 -4.576 -2.243 1.00 0.00 C ATOM 1062 CG MET A 79 10.766 -3.914 -2.072 1.00 0.00 C ATOM 1063 SD MET A 79 10.700 -2.464 -0.998 1.00 0.00 S ATOM 1064 CE MET A 79 12.458 -2.209 -0.709 1.00 0.00 C ATOM 0 H MET A 79 8.848 -5.029 -4.919 1.00 0.00 H new ATOM 0 HA MET A 79 10.285 -6.456 -2.765 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.707 -3.863 -2.690 1.00 0.00 H new ATOM 0 HB3 MET A 79 8.999 -4.836 -1.263 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.468 -4.638 -1.658 1.00 0.00 H new ATOM 0 HG3 MET A 79 11.150 -3.621 -3.049 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.606 -1.277 -0.164 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.855 -3.038 -0.123 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.980 -2.157 -1.664 1.00 0.00 H new ATOM 1072 N ARG A 80 7.998 -7.376 -1.935 1.00 0.00 N ATOM 1073 CA ARG A 80 6.835 -8.219 -1.704 1.00 0.00 C ATOM 1074 C ARG A 80 5.651 -7.353 -1.269 1.00 0.00 C ATOM 1075 O ARG A 80 5.765 -6.594 -0.300 1.00 0.00 O ATOM 1076 CB ARG A 80 7.162 -9.277 -0.638 1.00 0.00 C ATOM 1077 CG ARG A 80 6.445 -10.608 -0.915 1.00 0.00 C ATOM 1078 CD ARG A 80 7.176 -11.439 -1.979 1.00 0.00 C ATOM 1079 NE ARG A 80 8.540 -11.774 -1.536 1.00 0.00 N ATOM 1080 CZ ARG A 80 9.543 -12.210 -2.316 1.00 0.00 C ATOM 1081 NH1 ARG A 80 9.339 -12.515 -3.598 1.00 0.00 N ATOM 1082 NH2 ARG A 80 10.772 -12.338 -1.799 1.00 0.00 N ATOM 0 H ARG A 80 8.697 -7.436 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 80 6.567 -8.734 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.239 -9.443 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.871 -8.905 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.374 -11.182 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.426 -10.410 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.619 -12.354 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.219 -10.882 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 80 8.742 -11.665 -0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.408 -12.419 -4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.114 -12.844 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.940 -12.105 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.539 -12.668 -2.384 1.00 0.00 H new ATOM 1093 N ILE A 81 4.514 -7.491 -1.956 1.00 0.00 N ATOM 1094 CA ILE A 81 3.265 -6.861 -1.567 1.00 0.00 C ATOM 1095 C ILE A 81 2.129 -7.876 -1.586 1.00 0.00 C ATOM 1096 O ILE A 81 2.106 -8.805 -2.394 1.00 0.00 O ATOM 1097 CB ILE A 81 2.950 -5.597 -2.393 1.00 0.00 C ATOM 1098 CG1 ILE A 81 2.424 -5.804 -3.820 1.00 0.00 C ATOM 1099 CG2 ILE A 81 4.116 -4.608 -2.353 1.00 0.00 C ATOM 1100 CD1 ILE A 81 3.474 -6.295 -4.810 1.00 0.00 C ATOM 0 H ILE A 81 4.442 -8.051 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 81 3.378 -6.508 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 81 2.086 -5.171 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.604 -6.522 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.011 -4.863 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.866 -3.727 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.306 -4.311 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.008 -5.080 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.019 -6.415 -5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.284 -5.568 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.871 -7.253 -4.474 1.00 0.00 H new ATOM 1111 N THR A 82 1.195 -7.675 -0.663 1.00 0.00 N ATOM 1112 CA THR A 82 -0.041 -8.403 -0.503 1.00 0.00 C ATOM 1113 C THR A 82 -1.154 -7.467 -0.989 1.00 0.00 C ATOM 1114 O THR A 82 -1.683 -6.665 -0.223 1.00 0.00 O ATOM 1115 CB THR A 82 -0.160 -8.814 0.981 1.00 0.00 C ATOM 1116 OG1 THR A 82 0.628 -7.987 1.824 1.00 0.00 O ATOM 1117 CG2 THR A 82 0.393 -10.227 1.174 1.00 0.00 C ATOM 0 H THR A 82 1.298 -6.943 0.040 1.00 0.00 H new ATOM 0 HA THR A 82 -0.099 -9.325 -1.082 1.00 0.00 H new ATOM 0 HB THR A 82 -1.216 -8.734 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.526 -8.277 2.755 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.306 -10.511 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.174 -10.927 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.441 -10.251 0.877 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.476 -7.482 -2.285 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.441 -6.516 -2.794 1.00 0.00 C ATOM 1127 C ASP A 83 -3.849 -6.897 -2.332 1.00 0.00 C ATOM 1128 O ASP A 83 -4.358 -7.919 -2.795 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.352 -6.362 -4.313 1.00 0.00 C ATOM 1130 CG ASP A 83 -3.262 -5.225 -4.760 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -3.021 -4.092 -4.287 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -4.185 -5.510 -5.550 1.00 0.00 O ATOM 0 H ASP A 83 -1.096 -8.129 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.200 -5.537 -2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.323 -6.157 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.645 -7.291 -4.802 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.447 -6.122 -1.413 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.684 -6.488 -0.727 1.00 0.00 C ATOM 1138 C CYS A 84 -6.874 -5.888 -1.464 1.00 0.00 C ATOM 1139 O CYS A 84 -6.863 -4.700 -1.793 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.674 -6.006 0.734 1.00 0.00 C ATOM 1141 SG CYS A 84 -7.037 -6.643 1.731 1.00 0.00 S ATOM 0 H CYS A 84 -4.077 -5.216 -1.127 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.765 -7.575 -0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.732 -6.301 1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.708 -4.917 0.746 1.00 0.00 H new ATOM 1145 N ARG A 85 -7.896 -6.705 -1.726 1.00 0.00 N ATOM 1146 CA ARG A 85 -9.117 -6.311 -2.405 1.00 0.00 C ATOM 1147 C ARG A 85 -10.303 -6.903 -1.654 1.00 0.00 C ATOM 1148 O ARG A 85 -10.147 -7.882 -0.925 1.00 0.00 O ATOM 1149 CB ARG A 85 -9.132 -6.851 -3.851 1.00 0.00 C ATOM 1150 CG ARG A 85 -9.836 -5.857 -4.788 1.00 0.00 C ATOM 1151 CD ARG A 85 -10.529 -6.471 -6.011 1.00 0.00 C ATOM 1152 NE ARG A 85 -11.993 -6.528 -5.821 1.00 0.00 N ATOM 1153 CZ ARG A 85 -12.833 -5.477 -5.869 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -12.356 -4.235 -5.993 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -14.150 -5.654 -5.743 1.00 0.00 N ATOM 0 H ARG A 85 -7.889 -7.690 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.174 -5.223 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.111 -7.022 -4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.643 -7.813 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.579 -5.306 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.101 -5.131 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.297 -5.882 -6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.143 -7.475 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.403 -7.444 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.350 -4.079 -6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.998 -3.443 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.528 -6.592 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.778 -4.851 -5.781 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.496 -6.373 -1.911 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.729 -7.013 -1.489 1.00 0.00 C ATOM 1168 C GLU A 86 -13.081 -8.106 -2.518 1.00 0.00 C ATOM 1169 O GLU A 86 -12.811 -7.963 -3.717 1.00 0.00 O ATOM 1170 CB GLU A 86 -13.860 -5.972 -1.405 1.00 0.00 C ATOM 1171 CG GLU A 86 -14.213 -5.489 -2.816 1.00 0.00 C ATOM 1172 CD GLU A 86 -15.083 -4.258 -2.949 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.616 -3.792 -1.921 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -15.169 -3.823 -4.124 1.00 0.00 O ATOM 0 H GLU A 86 -11.630 -5.496 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.605 -7.459 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.737 -6.409 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.549 -5.129 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.280 -5.297 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.712 -6.308 -3.334 1.00 0.00 H new ATOM 1179 N THR A 87 -13.700 -9.197 -2.073 1.00 0.00 N ATOM 1180 CA THR A 87 -14.311 -10.180 -2.954 1.00 0.00 C ATOM 1181 C THR A 87 -15.713 -9.687 -3.330 1.00 0.00 C ATOM 1182 O THR A 87 -16.174 -8.656 -2.834 1.00 0.00 O ATOM 1183 CB THR A 87 -14.371 -11.536 -2.236 1.00 0.00 C ATOM 1184 OG1 THR A 87 -15.205 -11.440 -1.102 1.00 0.00 O ATOM 1185 CG2 THR A 87 -12.976 -11.992 -1.798 1.00 0.00 C ATOM 0 H THR A 87 -13.790 -9.422 -1.082 1.00 0.00 H new ATOM 0 HA THR A 87 -13.724 -10.306 -3.864 1.00 0.00 H new ATOM 0 HB THR A 87 -14.774 -12.270 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 87 -14.734 -10.960 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.050 -12.955 -1.292 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.334 -12.090 -2.673 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.550 -11.256 -1.116 1.00 0.00 H new ATOM 1193 N GLY A 88 -16.455 -10.451 -4.138 1.00 0.00 N ATOM 1194 CA GLY A 88 -17.843 -10.135 -4.465 1.00 0.00 C ATOM 1195 C GLY A 88 -18.816 -10.396 -3.306 1.00 0.00 C ATOM 1196 O GLY A 88 -19.963 -10.762 -3.548 1.00 0.00 O ATOM 0 H GLY A 88 -16.109 -11.302 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.910 -9.087 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.149 -10.727 -5.327 1.00 0.00 H new ATOM 1199 N SER A 89 -18.376 -10.178 -2.062 1.00 0.00 N ATOM 1200 CA SER A 89 -19.165 -10.330 -0.849 1.00 0.00 C ATOM 1201 C SER A 89 -18.854 -9.180 0.114 1.00 0.00 C ATOM 1202 O SER A 89 -19.009 -9.334 1.323 1.00 0.00 O ATOM 1203 CB SER A 89 -18.845 -11.682 -0.199 1.00 0.00 C ATOM 1204 OG SER A 89 -19.042 -12.738 -1.121 1.00 0.00 O ATOM 0 H SER A 89 -17.420 -9.879 -1.872 1.00 0.00 H new ATOM 0 HA SER A 89 -20.227 -10.301 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.813 -11.687 0.153 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.480 -11.831 0.674 1.00 0.00 H new ATOM 0 HG SER A 89 -18.832 -13.592 -0.690 1.00 0.00 H new ATOM 1209 N SER A 90 -18.396 -8.037 -0.410 1.00 0.00 N ATOM 1210 CA SER A 90 -18.025 -6.875 0.385 1.00 0.00 C ATOM 1211 C SER A 90 -19.280 -6.318 1.069 1.00 0.00 C ATOM 1212 O SER A 90 -20.071 -5.618 0.438 1.00 0.00 O ATOM 1213 CB SER A 90 -17.326 -5.847 -0.520 1.00 0.00 C ATOM 1214 OG SER A 90 -16.478 -5.011 0.234 1.00 0.00 O ATOM 0 H SER A 90 -18.273 -7.898 -1.413 1.00 0.00 H new ATOM 0 HA SER A 90 -17.319 -7.142 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.747 -6.364 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.072 -5.244 -1.037 1.00 0.00 H new ATOM 0 HG SER A 90 -16.181 -4.260 -0.321 1.00 0.00 H new ATOM 1219 N LYS A 91 -19.513 -6.685 2.335 1.00 0.00 N ATOM 1220 CA LYS A 91 -20.761 -6.434 3.041 1.00 0.00 C ATOM 1221 C LYS A 91 -20.468 -5.928 4.452 1.00 0.00 C ATOM 1222 O LYS A 91 -20.676 -6.657 5.417 1.00 0.00 O ATOM 1223 CB LYS A 91 -21.576 -7.740 3.082 1.00 0.00 C ATOM 1224 CG LYS A 91 -22.204 -8.109 1.729 1.00 0.00 C ATOM 1225 CD LYS A 91 -23.248 -7.110 1.200 1.00 0.00 C ATOM 1226 CE LYS A 91 -24.328 -6.715 2.220 1.00 0.00 C ATOM 1227 NZ LYS A 91 -25.018 -7.887 2.796 1.00 0.00 N ATOM 0 H LYS A 91 -18.821 -7.174 2.903 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.339 -5.668 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.928 -8.554 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.366 -7.644 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.408 -8.204 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.674 -9.088 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.733 -6.208 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.734 -7.541 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.871 -6.136 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.060 -6.068 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -25.770 -7.566 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.435 -8.455 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.335 -8.467 3.325 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.035 -4.668 4.581 1.00 0.00 N ATOM 1238 CA TYR A 92 -19.734 -4.039 5.868 1.00 0.00 C ATOM 1239 C TYR A 92 -20.828 -4.371 6.897 1.00 0.00 C ATOM 1240 O TYR A 92 -22.010 -4.217 6.589 1.00 0.00 O ATOM 1241 CB TYR A 92 -19.642 -2.516 5.666 1.00 0.00 C ATOM 1242 CG TYR A 92 -19.689 -1.687 6.940 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -20.931 -1.306 7.484 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -18.501 -1.292 7.582 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -20.988 -0.607 8.701 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -18.559 -0.543 8.771 1.00 0.00 C ATOM 1247 CZ TYR A 92 -19.800 -0.228 9.348 1.00 0.00 C ATOM 1248 OH TYR A 92 -19.847 0.417 10.546 1.00 0.00 O ATOM 0 H TYR A 92 -19.883 -4.051 3.783 1.00 0.00 H new ATOM 0 HA TYR A 92 -18.785 -4.420 6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -18.714 -2.291 5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -20.460 -2.202 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -21.844 -1.553 6.963 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -17.544 -1.564 7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -21.944 -0.361 9.139 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -17.646 -0.209 9.242 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.935 0.604 10.853 1.00 0.00 H new ATOM 1257 N PRO A 93 -20.466 -4.830 8.108 1.00 0.00 N ATOM 1258 CA PRO A 93 -19.110 -4.960 8.630 1.00 0.00 C ATOM 1259 C PRO A 93 -18.355 -6.199 8.120 1.00 0.00 C ATOM 1260 O PRO A 93 -17.146 -6.289 8.323 1.00 0.00 O ATOM 1261 CB PRO A 93 -19.279 -5.022 10.146 1.00 0.00 C ATOM 1262 CG PRO A 93 -20.644 -5.675 10.326 1.00 0.00 C ATOM 1263 CD PRO A 93 -21.438 -5.106 9.152 1.00 0.00 C ATOM 0 HA PRO A 93 -18.501 -4.121 8.294 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.489 -5.609 10.614 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -19.247 -4.029 10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.582 -6.763 10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -21.095 -5.417 11.284 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -22.189 -5.817 8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -21.967 -4.198 9.442 1.00 0.00 H new ATOM 1268 N ASN A 94 -19.027 -7.139 7.442 1.00 0.00 N ATOM 1269 CA ASN A 94 -18.389 -8.273 6.774 1.00 0.00 C ATOM 1270 C ASN A 94 -17.662 -7.773 5.521 1.00 0.00 C ATOM 1271 O ASN A 94 -18.058 -8.022 4.380 1.00 0.00 O ATOM 1272 CB ASN A 94 -19.420 -9.376 6.461 1.00 0.00 C ATOM 1273 CG ASN A 94 -19.586 -10.356 7.617 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -19.454 -11.561 7.443 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -19.872 -9.851 8.813 1.00 0.00 N ATOM 0 H ASN A 94 -20.042 -7.130 7.343 1.00 0.00 H new ATOM 0 HA ASN A 94 -17.650 -8.726 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -20.383 -8.917 6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -19.109 -9.919 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -19.987 -10.471 9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -19.976 -8.843 8.929 1.00 0.00 H new ATOM 1281 N CYS A 95 -16.574 -7.041 5.746 1.00 0.00 N ATOM 1282 CA CYS A 95 -15.707 -6.559 4.689 1.00 0.00 C ATOM 1283 C CYS A 95 -14.868 -7.719 4.167 1.00 0.00 C ATOM 1284 O CYS A 95 -13.782 -8.013 4.664 1.00 0.00 O ATOM 1285 CB CYS A 95 -14.841 -5.426 5.204 1.00 0.00 C ATOM 1286 SG CYS A 95 -13.951 -4.587 3.883 1.00 0.00 S ATOM 0 H CYS A 95 -16.271 -6.766 6.680 1.00 0.00 H new ATOM 0 HA CYS A 95 -16.302 -6.166 3.864 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -15.466 -4.706 5.732 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -14.126 -5.818 5.928 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.421 -8.415 3.179 1.00 0.00 N ATOM 1291 CA ALA A 96 -14.912 -9.692 2.713 1.00 0.00 C ATOM 1292 C ALA A 96 -13.617 -9.515 1.919 1.00 0.00 C ATOM 1293 O ALA A 96 -13.631 -9.520 0.692 1.00 0.00 O ATOM 1294 CB ALA A 96 -15.995 -10.352 1.858 1.00 0.00 C ATOM 0 H ALA A 96 -16.249 -8.099 2.674 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.673 -10.327 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.636 -11.315 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.892 -10.502 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.230 -9.710 1.009 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.489 -9.380 2.616 1.00 0.00 N ATOM 1301 CA TYR A 97 -11.210 -9.134 1.969 1.00 0.00 C ATOM 1302 C TYR A 97 -10.513 -10.420 1.513 1.00 0.00 C ATOM 1303 O TYR A 97 -10.657 -11.479 2.126 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.266 -8.421 2.930 1.00 0.00 C ATOM 1305 CG TYR A 97 -10.612 -6.993 3.282 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.401 -5.981 2.330 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -10.889 -6.651 4.617 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.486 -4.631 2.703 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -11.000 -5.301 4.984 1.00 0.00 C ATOM 1310 CZ TYR A 97 -10.837 -4.289 4.021 1.00 0.00 C ATOM 1311 OH TYR A 97 -11.069 -2.986 4.362 1.00 0.00 O ATOM 0 H TYR A 97 -12.440 -9.438 3.633 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.430 -8.525 1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.220 -8.998 3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.266 -8.433 2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.173 -6.243 1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.016 -7.426 5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.282 -3.856 1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.211 -5.038 6.010 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.301 -2.933 5.313 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.687 -10.291 0.470 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.745 -11.293 -0.001 1.00 0.00 C ATOM 1322 C LYS A 98 -7.538 -10.538 -0.565 1.00 0.00 C ATOM 1323 O LYS A 98 -7.635 -9.336 -0.792 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.446 -12.204 -1.023 1.00 0.00 C ATOM 1325 CG LYS A 98 -8.845 -13.606 -1.200 1.00 0.00 C ATOM 1326 CD LYS A 98 -8.804 -14.382 0.128 1.00 0.00 C ATOM 1327 CE LYS A 98 -8.834 -15.900 -0.110 1.00 0.00 C ATOM 1328 NZ LYS A 98 -8.441 -16.664 1.093 1.00 0.00 N ATOM 0 H LYS A 98 -9.661 -9.440 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.392 -11.953 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.489 -12.313 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.439 -11.703 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.433 -14.164 -1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.836 -13.521 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.902 -14.116 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.653 -14.092 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.837 -16.198 -0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.163 -16.150 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.439 -16.934 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.581 -16.076 1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.026 -17.521 1.166 1.00 0.00 H new ATOM 1338 N THR A 99 -6.395 -11.209 -0.733 1.00 0.00 N ATOM 1339 CA THR A 99 -5.125 -10.571 -1.086 1.00 0.00 C ATOM 1340 C THR A 99 -4.383 -11.355 -2.164 1.00 0.00 C ATOM 1341 O THR A 99 -4.479 -12.584 -2.219 1.00 0.00 O ATOM 1342 CB THR A 99 -4.256 -10.312 0.173 1.00 0.00 C ATOM 1343 OG1 THR A 99 -4.059 -8.929 0.347 1.00 0.00 O ATOM 1344 CG2 THR A 99 -2.847 -10.918 0.151 1.00 0.00 C ATOM 0 H THR A 99 -6.325 -12.221 -0.626 1.00 0.00 H new ATOM 0 HA THR A 99 -5.348 -9.595 -1.517 1.00 0.00 H new ATOM 0 HB THR A 99 -4.823 -10.790 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.749 -8.573 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.331 -10.674 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.918 -12.001 0.049 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.289 -10.510 -0.692 1.00 0.00 H new ATOM 1352 N THR A 100 -3.603 -10.636 -2.970 1.00 0.00 N ATOM 1353 CA THR A 100 -2.710 -11.195 -3.969 1.00 0.00 C ATOM 1354 C THR A 100 -1.273 -11.069 -3.450 1.00 0.00 C ATOM 1355 O THR A 100 -0.752 -9.959 -3.380 1.00 0.00 O ATOM 1356 CB THR A 100 -2.909 -10.439 -5.296 1.00 0.00 C ATOM 1357 OG1 THR A 100 -4.278 -10.140 -5.488 1.00 0.00 O ATOM 1358 CG2 THR A 100 -2.429 -11.280 -6.480 1.00 0.00 C ATOM 0 H THR A 100 -3.579 -9.617 -2.940 1.00 0.00 H new ATOM 0 HA THR A 100 -2.922 -12.249 -4.150 1.00 0.00 H new ATOM 0 HB THR A 100 -2.327 -9.519 -5.243 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.392 -9.658 -6.334 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.580 -10.725 -7.406 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.369 -11.505 -6.361 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.995 -12.211 -6.519 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.643 -12.184 -3.062 1.00 0.00 N ATOM 1367 CA GLN A 101 0.787 -12.230 -2.759 1.00 0.00 C ATOM 1368 C GLN A 101 1.560 -12.096 -4.074 1.00 0.00 C ATOM 1369 O GLN A 101 1.436 -12.976 -4.923 1.00 0.00 O ATOM 1370 CB GLN A 101 1.138 -13.578 -2.098 1.00 0.00 C ATOM 1371 CG GLN A 101 0.895 -13.629 -0.581 1.00 0.00 C ATOM 1372 CD GLN A 101 2.012 -12.948 0.214 1.00 0.00 C ATOM 1373 OE1 GLN A 101 2.766 -12.141 -0.320 1.00 0.00 O ATOM 1374 NE2 GLN A 101 2.154 -13.260 1.500 1.00 0.00 N ATOM 0 H GLN A 101 -1.115 -13.081 -2.950 1.00 0.00 H new ATOM 0 HA GLN A 101 1.050 -11.421 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.552 -14.364 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.187 -13.801 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -0.056 -13.147 -0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.810 -14.669 -0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.522 -13.932 1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.895 -12.827 2.051 1.00 0.00 H new ATOM 1381 N VAL A 102 2.339 -11.025 -4.249 1.00 0.00 N ATOM 1382 CA VAL A 102 3.158 -10.791 -5.437 1.00 0.00 C ATOM 1383 C VAL A 102 4.400 -9.987 -5.040 1.00 0.00 C ATOM 1384 O VAL A 102 4.509 -9.538 -3.900 1.00 0.00 O ATOM 1385 CB VAL A 102 2.344 -10.050 -6.526 1.00 0.00 C ATOM 1386 CG1 VAL A 102 1.617 -11.023 -7.461 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.339 -9.059 -5.926 1.00 0.00 C ATOM 0 H VAL A 102 2.418 -10.283 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 102 3.470 -11.748 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 102 3.072 -9.487 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.059 -10.460 -8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.346 -11.663 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.929 -11.638 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.792 -8.564 -6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.638 -9.595 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.872 -8.313 -5.336 1.00 0.00 H new ATOM 1397 N GLU A 103 5.317 -9.780 -5.990 1.00 0.00 N ATOM 1398 CA GLU A 103 6.474 -8.906 -5.878 1.00 0.00 C ATOM 1399 C GLU A 103 6.472 -7.902 -7.034 1.00 0.00 C ATOM 1400 O GLU A 103 6.443 -8.293 -8.199 1.00 0.00 O ATOM 1401 CB GLU A 103 7.793 -9.699 -5.805 1.00 0.00 C ATOM 1402 CG GLU A 103 7.854 -10.938 -6.712 1.00 0.00 C ATOM 1403 CD GLU A 103 6.934 -12.049 -6.230 1.00 0.00 C ATOM 1404 OE1 GLU A 103 7.234 -12.594 -5.145 1.00 0.00 O ATOM 1405 OE2 GLU A 103 5.904 -12.257 -6.908 1.00 0.00 O ATOM 0 H GLU A 103 5.264 -10.242 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 103 6.403 -8.356 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.615 -9.033 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.955 -10.013 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.579 -10.656 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.879 -11.308 -6.750 1.00 0.00 H new ATOM 1410 N LYS A 104 6.471 -6.606 -6.717 1.00 0.00 N ATOM 1411 CA LYS A 104 6.440 -5.507 -7.679 1.00 0.00 C ATOM 1412 C LYS A 104 7.272 -4.369 -7.092 1.00 0.00 C ATOM 1413 O LYS A 104 7.508 -4.357 -5.886 1.00 0.00 O ATOM 1414 CB LYS A 104 5.004 -5.021 -7.884 1.00 0.00 C ATOM 1415 CG LYS A 104 4.217 -5.685 -9.017 1.00 0.00 C ATOM 1416 CD LYS A 104 3.712 -7.095 -8.708 1.00 0.00 C ATOM 1417 CE LYS A 104 2.200 -7.203 -8.945 1.00 0.00 C ATOM 1418 NZ LYS A 104 1.810 -6.856 -10.329 1.00 0.00 N ATOM 0 H LYS A 104 6.493 -6.283 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 104 6.834 -5.836 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.456 -5.171 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.030 -3.947 -8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.363 -5.055 -9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.850 -5.727 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.234 -7.818 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.940 -7.348 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.874 -8.220 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.680 -6.544 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.904 -7.313 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.709 -5.824 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.542 -7.187 -10.989 1.00 0.00 H new ATOM 1428 N HIS A 105 7.713 -3.400 -7.900 1.00 0.00 N ATOM 1429 CA HIS A 105 8.283 -2.185 -7.320 1.00 0.00 C ATOM 1430 C HIS A 105 7.163 -1.516 -6.546 1.00 0.00 C ATOM 1431 O HIS A 105 6.064 -1.427 -7.083 1.00 0.00 O ATOM 1432 CB HIS A 105 8.774 -1.180 -8.367 1.00 0.00 C ATOM 1433 CG HIS A 105 9.614 -1.772 -9.460 1.00 0.00 C ATOM 1434 ND1 HIS A 105 9.117 -2.280 -10.639 1.00 0.00 N ATOM 1435 CD2 HIS A 105 10.977 -1.846 -9.494 1.00 0.00 C ATOM 1436 CE1 HIS A 105 10.157 -2.678 -11.387 1.00 0.00 C ATOM 1437 NE2 HIS A 105 11.297 -2.421 -10.711 1.00 0.00 N ATOM 0 H HIS A 105 7.688 -3.430 -8.919 1.00 0.00 H new ATOM 0 HA HIS A 105 9.143 -2.468 -6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.909 -0.692 -8.816 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.351 -0.405 -7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 105 11.665 -1.522 -8.727 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.093 -3.129 -12.366 1.00 0.00 H new ATOM 0 HE2 HIS A 105 12.241 -2.619 -11.043 1.00 0.00 H new ATOM 1445 N ILE A 106 7.420 -1.032 -5.335 1.00 0.00 N ATOM 1446 CA ILE A 106 6.441 -0.229 -4.624 1.00 0.00 C ATOM 1447 C ILE A 106 6.703 1.230 -4.975 1.00 0.00 C ATOM 1448 O ILE A 106 7.857 1.658 -5.039 1.00 0.00 O ATOM 1449 CB ILE A 106 6.447 -0.523 -3.116 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.771 -0.203 -2.414 1.00 0.00 C ATOM 1451 CG2 ILE A 106 6.072 -1.993 -2.917 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.712 -0.409 -0.898 1.00 0.00 C ATOM 0 H ILE A 106 8.294 -1.183 -4.831 1.00 0.00 H new ATOM 0 HA ILE A 106 5.428 -0.483 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 106 5.719 0.141 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.557 -0.833 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.046 0.831 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.069 -2.227 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.080 -2.175 -3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.799 -2.626 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.680 -0.166 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.947 0.241 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.467 -1.449 -0.681 1.00 0.00 H new ATOM 1463 N ILE A 107 5.636 1.974 -5.252 1.00 0.00 N ATOM 1464 CA ILE A 107 5.685 3.382 -5.577 1.00 0.00 C ATOM 1465 C ILE A 107 5.044 4.107 -4.391 1.00 0.00 C ATOM 1466 O ILE A 107 3.854 3.919 -4.127 1.00 0.00 O ATOM 1467 CB ILE A 107 4.962 3.671 -6.908 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.160 2.605 -8.004 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.373 5.060 -7.410 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.588 2.422 -8.510 1.00 0.00 C ATOM 0 H ILE A 107 4.689 1.595 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 107 6.707 3.729 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 107 3.894 3.637 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.806 1.648 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.525 2.862 -8.852 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.866 5.272 -8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 107 5.095 5.811 -6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.452 5.086 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.606 1.648 -9.277 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.947 3.360 -8.933 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.232 2.127 -7.682 1.00 0.00 H new ATOM 1481 N VAL A 108 5.832 4.877 -3.631 1.00 0.00 N ATOM 1482 CA VAL A 108 5.325 5.604 -2.469 1.00 0.00 C ATOM 1483 C VAL A 108 5.336 7.107 -2.733 1.00 0.00 C ATOM 1484 O VAL A 108 5.839 7.564 -3.757 1.00 0.00 O ATOM 1485 CB VAL A 108 6.033 5.200 -1.160 1.00 0.00 C ATOM 1486 CG1 VAL A 108 6.058 3.674 -0.999 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.441 5.784 -1.013 1.00 0.00 C ATOM 0 H VAL A 108 6.828 5.011 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 108 4.285 5.316 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 108 5.441 5.636 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.563 3.415 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.037 3.294 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.593 3.228 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.874 5.456 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.065 5.440 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.387 6.873 -1.028 1.00 0.00 H new ATOM 1497 N ALA A 109 4.749 7.861 -1.804 1.00 0.00 N ATOM 1498 CA ALA A 109 4.528 9.292 -1.895 1.00 0.00 C ATOM 1499 C ALA A 109 5.320 9.969 -0.773 1.00 0.00 C ATOM 1500 O ALA A 109 4.911 9.899 0.388 1.00 0.00 O ATOM 1501 CB ALA A 109 3.031 9.526 -1.706 1.00 0.00 C ATOM 0 H ALA A 109 4.401 7.467 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 109 4.852 9.699 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.819 10.593 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.479 9.001 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.724 9.151 -0.730 1.00 0.00 H new ATOM 1507 N CYS A 110 6.461 10.577 -1.107 1.00 0.00 N ATOM 1508 CA CYS A 110 7.431 11.137 -0.170 1.00 0.00 C ATOM 1509 C CYS A 110 7.504 12.658 -0.173 1.00 0.00 C ATOM 1510 O CYS A 110 7.468 13.299 -1.226 1.00 0.00 O ATOM 1511 CB CYS A 110 8.820 10.536 -0.383 1.00 0.00 C ATOM 1512 SG CYS A 110 9.856 10.829 1.064 1.00 0.00 S ATOM 0 H CYS A 110 6.744 10.696 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 110 7.062 10.857 0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.736 9.465 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 110 9.283 10.977 -1.266 1.00 0.00 H new ATOM 1516 N GLY A 111 7.616 13.226 1.030 1.00 0.00 N ATOM 1517 CA GLY A 111 7.566 14.652 1.285 1.00 0.00 C ATOM 1518 C GLY A 111 7.586 14.847 2.797 1.00 0.00 C ATOM 1519 O GLY A 111 8.188 14.041 3.501 1.00 0.00 O ATOM 0 H GLY A 111 7.749 12.677 1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.415 15.154 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.664 15.087 0.854 1.00 0.00 H new ATOM 1522 N GLY A 112 6.920 15.898 3.287 1.00 0.00 N ATOM 1523 CA GLY A 112 6.675 16.089 4.711 1.00 0.00 C ATOM 1524 C GLY A 112 7.971 16.200 5.512 1.00 0.00 C ATOM 1525 O GLY A 112 8.154 15.456 6.469 1.00 0.00 O ATOM 0 H GLY A 112 6.537 16.640 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.081 16.991 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.086 15.255 5.091 1.00 0.00 H new ATOM 1528 N LYS A 113 8.827 17.150 5.105 1.00 0.00 N ATOM 1529 CA LYS A 113 10.179 17.398 5.605 1.00 0.00 C ATOM 1530 C LYS A 113 10.433 16.859 7.029 1.00 0.00 C ATOM 1531 O LYS A 113 9.746 17.283 7.959 1.00 0.00 O ATOM 1532 CB LYS A 113 10.506 18.896 5.486 1.00 0.00 C ATOM 1533 CG LYS A 113 9.601 19.808 6.334 1.00 0.00 C ATOM 1534 CD LYS A 113 9.869 21.287 6.029 1.00 0.00 C ATOM 1535 CE LYS A 113 9.003 22.175 6.936 1.00 0.00 C ATOM 1536 NZ LYS A 113 9.229 23.616 6.695 1.00 0.00 N ATOM 0 H LYS A 113 8.571 17.807 4.368 1.00 0.00 H new ATOM 0 HA LYS A 113 10.863 16.829 4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.543 19.055 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.424 19.192 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 113 8.555 19.576 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.774 19.614 7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.924 21.514 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.648 21.497 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.951 21.942 6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.220 21.945 7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.623 24.173 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.227 23.846 6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.997 23.843 5.707 1.00 0.00 H new ATOM 1546 N PRO A 114 11.422 15.973 7.248 1.00 0.00 N ATOM 1547 CA PRO A 114 12.440 15.519 6.306 1.00 0.00 C ATOM 1548 C PRO A 114 11.871 14.536 5.272 1.00 0.00 C ATOM 1549 O PRO A 114 10.662 14.401 5.131 1.00 0.00 O ATOM 1550 CB PRO A 114 13.531 14.894 7.189 1.00 0.00 C ATOM 1551 CG PRO A 114 12.751 14.358 8.388 1.00 0.00 C ATOM 1552 CD PRO A 114 11.658 15.410 8.568 1.00 0.00 C ATOM 0 HA PRO A 114 12.836 16.334 5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.063 14.098 6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.275 15.631 7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 114 12.335 13.370 8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 114 13.379 14.270 9.274 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.749 14.963 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.971 16.182 9.271 1.00 0.00 H new ATOM 1557 N SER A 115 12.744 13.872 4.513 1.00 0.00 N ATOM 1558 CA SER A 115 12.376 12.952 3.448 1.00 0.00 C ATOM 1559 C SER A 115 11.624 11.731 3.996 1.00 0.00 C ATOM 1560 O SER A 115 12.256 10.706 4.249 1.00 0.00 O ATOM 1561 CB SER A 115 13.674 12.551 2.727 1.00 0.00 C ATOM 1562 OG SER A 115 14.726 12.276 3.652 1.00 0.00 O ATOM 0 H SER A 115 13.753 13.965 4.629 1.00 0.00 H new ATOM 0 HA SER A 115 11.691 13.430 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.491 11.671 2.111 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.980 13.353 2.055 1.00 0.00 H new ATOM 0 HG SER A 115 15.442 11.786 3.197 1.00 0.00 H new ATOM 1567 N VAL A 116 10.304 11.812 4.192 1.00 0.00 N ATOM 1568 CA VAL A 116 9.527 10.691 4.720 1.00 0.00 C ATOM 1569 C VAL A 116 8.343 10.350 3.803 1.00 0.00 C ATOM 1570 O VAL A 116 7.683 11.250 3.280 1.00 0.00 O ATOM 1571 CB VAL A 116 9.101 10.956 6.174 1.00 0.00 C ATOM 1572 CG1 VAL A 116 10.329 11.283 7.032 1.00 0.00 C ATOM 1573 CG2 VAL A 116 8.079 12.089 6.300 1.00 0.00 C ATOM 0 H VAL A 116 9.752 12.646 3.992 1.00 0.00 H new ATOM 0 HA VAL A 116 10.164 9.807 4.736 1.00 0.00 H new ATOM 0 HB VAL A 116 8.622 10.044 6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.016 11.469 8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.022 10.442 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.823 12.171 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.818 12.228 7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.508 13.011 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.183 11.835 5.733 1.00 0.00 H new ATOM 1583 N PRO A 117 8.083 9.056 3.561 1.00 0.00 N ATOM 1584 CA PRO A 117 6.927 8.613 2.811 1.00 0.00 C ATOM 1585 C PRO A 117 5.688 8.785 3.684 1.00 0.00 C ATOM 1586 O PRO A 117 5.686 8.360 4.837 1.00 0.00 O ATOM 1587 CB PRO A 117 7.212 7.171 2.409 1.00 0.00 C ATOM 1588 CG PRO A 117 8.174 6.674 3.484 1.00 0.00 C ATOM 1589 CD PRO A 117 8.881 7.925 3.998 1.00 0.00 C ATOM 0 HA PRO A 117 6.737 9.190 1.906 1.00 0.00 H new ATOM 0 HB2 PRO A 117 6.299 6.576 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.658 7.114 1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.639 6.166 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.887 5.959 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.964 7.905 5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.894 7.989 3.602 1.00 0.00 H new ATOM 1594 N VAL A 118 4.665 9.453 3.147 1.00 0.00 N ATOM 1595 CA VAL A 118 3.437 9.799 3.851 1.00 0.00 C ATOM 1596 C VAL A 118 2.203 9.204 3.171 1.00 0.00 C ATOM 1597 O VAL A 118 1.110 9.238 3.737 1.00 0.00 O ATOM 1598 CB VAL A 118 3.322 11.330 3.992 1.00 0.00 C ATOM 1599 CG1 VAL A 118 4.465 11.899 4.838 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.340 12.056 2.637 1.00 0.00 C ATOM 0 H VAL A 118 4.673 9.776 2.180 1.00 0.00 H new ATOM 0 HA VAL A 118 3.483 9.362 4.848 1.00 0.00 H new ATOM 0 HB VAL A 118 2.361 11.502 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.355 12.980 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.436 11.456 5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.419 11.666 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.256 13.131 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.275 11.839 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.502 11.714 2.030 1.00 0.00 H new ATOM 1610 N HIS A 119 2.350 8.667 1.957 1.00 0.00 N ATOM 1611 CA HIS A 119 1.282 7.971 1.263 1.00 0.00 C ATOM 1612 C HIS A 119 1.896 6.857 0.423 1.00 0.00 C ATOM 1613 O HIS A 119 3.111 6.802 0.231 1.00 0.00 O ATOM 1614 CB HIS A 119 0.456 8.949 0.407 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.034 8.846 0.594 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -1.957 8.632 -0.414 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -1.711 9.105 1.755 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -3.183 8.777 0.126 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.055 9.061 1.440 1.00 0.00 N ATOM 0 H HIS A 119 3.223 8.707 1.431 1.00 0.00 H new ATOM 0 HA HIS A 119 0.592 7.531 1.983 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.768 9.967 0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.689 8.777 -0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.280 9.304 2.725 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -4.118 8.681 -0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.824 9.217 2.092 1.00 0.00 H new ATOM 1627 N PHE A 120 1.027 5.995 -0.093 1.00 0.00 N ATOM 1628 CA PHE A 120 1.338 4.987 -1.085 1.00 0.00 C ATOM 1629 C PHE A 120 0.678 5.440 -2.386 1.00 0.00 C ATOM 1630 O PHE A 120 -0.405 6.030 -2.317 1.00 0.00 O ATOM 1631 CB PHE A 120 0.767 3.654 -0.596 1.00 0.00 C ATOM 1632 CG PHE A 120 0.783 2.559 -1.630 1.00 0.00 C ATOM 1633 CD1 PHE A 120 1.976 1.868 -1.901 1.00 0.00 C ATOM 1634 CD2 PHE A 120 -0.381 2.277 -2.369 1.00 0.00 C ATOM 1635 CE1 PHE A 120 1.985 0.843 -2.858 1.00 0.00 C ATOM 1636 CE2 PHE A 120 -0.371 1.250 -3.323 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.804 0.516 -3.545 1.00 0.00 C ATOM 0 H PHE A 120 0.046 5.984 0.184 1.00 0.00 H new ATOM 0 HA PHE A 120 2.409 4.859 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.336 3.325 0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.260 3.811 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.883 2.125 -1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.280 2.851 -2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.898 0.306 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.265 1.024 -3.885 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.801 -0.304 -4.247 1.00 0.00 H new ATOM 1646 N ASP A 121 1.324 5.195 -3.531 1.00 0.00 N ATOM 1647 CA ASP A 121 0.730 5.390 -4.844 1.00 0.00 C ATOM 1648 C ASP A 121 0.208 4.051 -5.379 1.00 0.00 C ATOM 1649 O ASP A 121 -1.000 3.823 -5.423 1.00 0.00 O ATOM 1650 CB ASP A 121 1.765 6.023 -5.785 1.00 0.00 C ATOM 1651 CG ASP A 121 1.360 5.855 -7.241 1.00 0.00 C ATOM 1652 OD1 ASP A 121 0.191 6.170 -7.543 1.00 0.00 O ATOM 1653 OD2 ASP A 121 2.226 5.399 -8.018 1.00 0.00 O ATOM 0 H ASP A 121 2.284 4.852 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.119 6.070 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.870 7.083 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.739 5.563 -5.620 1.00 0.00 H new ATOM 1657 N ALA A 122 1.121 3.162 -5.776 1.00 0.00 N ATOM 1658 CA ALA A 122 0.815 1.947 -6.518 1.00 0.00 C ATOM 1659 C ALA A 122 2.010 1.006 -6.395 1.00 0.00 C ATOM 1660 O ALA A 122 3.005 1.377 -5.776 1.00 0.00 O ATOM 1661 CB ALA A 122 0.547 2.304 -7.985 1.00 0.00 C ATOM 0 H ALA A 122 2.116 3.274 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.074 1.458 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.317 1.397 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.298 2.990 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.431 2.779 -8.411 1.00 0.00 H new ATOM 1667 N SER A 123 1.936 -0.192 -6.986 1.00 0.00 N ATOM 1668 CA SER A 123 3.088 -1.077 -7.077 1.00 0.00 C ATOM 1669 C SER A 123 3.128 -1.756 -8.441 1.00 0.00 C ATOM 1670 O SER A 123 2.161 -2.421 -8.810 1.00 0.00 O ATOM 1671 CB SER A 123 3.075 -2.148 -5.978 1.00 0.00 C ATOM 1672 OG SER A 123 2.935 -1.581 -4.695 1.00 0.00 O ATOM 0 H SER A 123 1.086 -0.566 -7.407 1.00 0.00 H new ATOM 0 HA SER A 123 3.978 -0.461 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.256 -2.844 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.999 -2.725 -6.022 1.00 0.00 H new ATOM 0 HG SER A 123 2.644 -2.271 -4.063 1.00 0.00 H new ATOM 1677 N VAL A 124 4.248 -1.636 -9.158 1.00 0.00 N ATOM 1678 CA VAL A 124 4.536 -2.405 -10.356 1.00 0.00 C ATOM 1679 C VAL A 124 6.044 -2.390 -10.597 1.00 0.00 C ATOM 1680 CB VAL A 124 3.623 -2.024 -11.541 1.00 0.00 C ATOM 1681 CG1 VAL A 124 4.385 -1.547 -12.785 1.00 0.00 C ATOM 1682 CG2 VAL A 124 2.747 -3.244 -11.890 1.00 0.00 C ATOM 0 H VAL A 124 4.993 -0.984 -8.910 1.00 0.00 H new ATOM 0 HA VAL A 124 4.272 -3.454 -10.222 1.00 0.00 H new ATOM 0 HB VAL A 124 3.016 -1.175 -11.227 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.675 -1.298 -13.574 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.974 -0.664 -12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.049 -2.339 -13.131 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.093 -2.995 -12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.385 -4.083 -12.165 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.142 -3.517 -11.025 1.00 0.00 H new