USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 762 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 75 ASN : amide:sc= -0.409 X(o=-0.34,f=-0.076) USER MOD Set 1.2: A 90 HIS : no HE2:sc= 0.0697 K(o=-0.34,f=-1.1) USER MOD Set 2.1: A 31 SER OG : rot 69:sc= 1.03 USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 15 ASN : amide:sc= 1.44 K(o=3,f=1.3) USER MOD Set 3.2: A 25 GLN : amide:sc= 0.256 K(o=3,f=-0.64) USER MOD Set 3.3: A 43 CYS SG : rot -170:sc= 1.35 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.214 (180deg=-0.8) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0215 (180deg=-0.13) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 1.11 (180deg=0.949) USER MOD Single : A 6 GLN : amide:sc= 0.426 K(o=0.43,f=-0.3) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.1) USER MOD Single : A 11 SER OG : rot 55:sc= 1.29 USER MOD Single : A 13 ASN : amide:sc= 1.13 K(o=1.1,f=-1.7!) USER MOD Single : A 16 SER OG : rot 68:sc= 0.617 USER MOD Single : A 17 TYR OH : rot -111:sc= 0.908 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -0.0141 (180deg=-0.158) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0751 (180deg=-0.332) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 40 ASN : amide:sc= -0.5 K(o=-0.5,f=-2.8!) USER MOD Single : A 41 THR OG1 : rot 12:sc= 0.578 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 0.0569 (180deg=-0.12) USER MOD Single : A 55 GLN : amide:sc= -2.2! C(o=-2.2!,f=-7!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= -0.0126 (180deg=-0.107) USER MOD Single : A 73 LYS NZ :NH3+ -153:sc= -0.543 (180deg=-1.73!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 83 SER OG : rot 44:sc= 0.237 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 91 HIS : no HD1:sc= -0.0425 X(o=-0.042,f=-0.042) USER MOD Single : A 92 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.45) USER MOD Single : A 93 HIS : no HD1:sc= -0.912 K(o=-0.91,f=-0.26) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.016 16.289 6.638 1.00 0.00 N ATOM 2 CA MET A 1 15.427 14.891 6.377 1.00 0.00 C ATOM 3 C MET A 1 14.958 14.456 4.996 1.00 0.00 C ATOM 4 O MET A 1 13.964 14.969 4.485 1.00 0.00 O ATOM 5 CB MET A 1 14.842 13.951 7.434 1.00 0.00 C ATOM 6 CG MET A 1 15.305 14.246 8.849 1.00 0.00 C ATOM 7 SD MET A 1 14.625 13.089 10.055 1.00 0.00 S ATOM 8 CE MET A 1 15.326 11.545 9.476 1.00 0.00 C ATOM 0 H1 MET A 1 15.839 16.840 6.955 1.00 0.00 H new ATOM 0 H2 MET A 1 14.635 16.707 5.766 1.00 0.00 H new ATOM 0 H3 MET A 1 14.285 16.304 7.377 1.00 0.00 H new ATOM 0 HA MET A 1 16.515 14.841 6.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.754 14.013 7.398 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.111 12.925 7.181 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.394 14.207 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.013 15.261 9.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.322 10.817 10.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.733 11.165 8.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.351 11.712 9.144 1.00 0.00 H new ATOM 20 N VAL A 2 15.672 13.512 4.393 1.00 0.00 N ATOM 21 CA VAL A 2 15.342 13.046 3.053 1.00 0.00 C ATOM 22 C VAL A 2 14.909 11.580 3.066 1.00 0.00 C ATOM 23 O VAL A 2 14.806 10.945 2.014 1.00 0.00 O ATOM 24 CB VAL A 2 16.534 13.220 2.082 1.00 0.00 C ATOM 25 CG1 VAL A 2 16.875 14.695 1.908 1.00 0.00 C ATOM 26 CG2 VAL A 2 17.747 12.438 2.565 1.00 0.00 C ATOM 0 H VAL A 2 16.482 13.055 4.811 1.00 0.00 H new ATOM 0 HA VAL A 2 14.511 13.659 2.703 1.00 0.00 H new ATOM 0 HB VAL A 2 16.241 12.821 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.716 14.796 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.011 15.223 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.142 15.123 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.571 12.577 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.043 12.798 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.497 11.379 2.625 1.00 0.00 H new ATOM 36 N LYS A 3 14.646 11.045 4.255 1.00 0.00 N ATOM 37 CA LYS A 3 14.242 9.650 4.373 1.00 0.00 C ATOM 38 C LYS A 3 12.806 9.459 3.903 1.00 0.00 C ATOM 39 O LYS A 3 12.531 8.575 3.094 1.00 0.00 O ATOM 40 CB LYS A 3 14.366 9.144 5.812 1.00 0.00 C ATOM 41 CG LYS A 3 13.956 7.685 5.949 1.00 0.00 C ATOM 42 CD LYS A 3 13.841 7.242 7.399 1.00 0.00 C ATOM 43 CE LYS A 3 13.371 5.796 7.483 1.00 0.00 C ATOM 44 NZ LYS A 3 13.199 5.335 8.884 1.00 0.00 N ATOM 0 H LYS A 3 14.705 11.550 5.139 1.00 0.00 H new ATOM 0 HA LYS A 3 14.915 9.073 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.396 9.263 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.744 9.757 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.999 7.532 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.686 7.057 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.807 7.345 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.141 7.889 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.425 5.693 6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.092 5.153 6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.878 4.346 8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.107 5.406 9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.491 5.930 9.361 1.00 0.00 H new ATOM 58 N ASP A 4 11.912 10.311 4.410 1.00 0.00 N ATOM 59 CA ASP A 4 10.472 10.210 4.153 1.00 0.00 C ATOM 60 C ASP A 4 9.902 8.909 4.707 1.00 0.00 C ATOM 61 O ASP A 4 10.199 7.819 4.207 1.00 0.00 O ATOM 62 CB ASP A 4 10.137 10.304 2.660 1.00 0.00 C ATOM 63 CG ASP A 4 10.564 11.608 2.018 1.00 0.00 C ATOM 64 OD1 ASP A 4 9.868 12.626 2.207 1.00 0.00 O ATOM 65 OD2 ASP A 4 11.584 11.607 1.298 1.00 0.00 O ATOM 0 H ASP A 4 12.167 11.094 5.013 1.00 0.00 H new ATOM 0 HA ASP A 4 10.015 11.058 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.618 9.478 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.062 10.181 2.530 1.00 0.00 H new ATOM 70 N LYS A 5 9.070 9.022 5.734 1.00 0.00 N ATOM 71 CA LYS A 5 8.389 7.860 6.297 1.00 0.00 C ATOM 72 C LYS A 5 7.541 7.185 5.223 1.00 0.00 C ATOM 73 O LYS A 5 7.322 5.977 5.259 1.00 0.00 O ATOM 74 CB LYS A 5 7.496 8.264 7.475 1.00 0.00 C ATOM 75 CG LYS A 5 6.933 7.073 8.242 1.00 0.00 C ATOM 76 CD LYS A 5 5.865 7.491 9.242 1.00 0.00 C ATOM 77 CE LYS A 5 5.421 6.322 10.113 1.00 0.00 C ATOM 78 NZ LYS A 5 4.939 5.172 9.302 1.00 0.00 N ATOM 0 H LYS A 5 8.850 9.905 6.195 1.00 0.00 H new ATOM 0 HA LYS A 5 9.146 7.164 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.070 8.889 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.670 8.872 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.510 6.356 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.742 6.565 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.251 8.290 9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.005 7.895 8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.253 6.000 10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.627 6.651 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.615 4.413 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.150 5.479 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.714 4.819 8.705 1.00 0.00 H new ATOM 92 N GLN A 6 7.102 7.986 4.256 1.00 0.00 N ATOM 93 CA GLN A 6 6.264 7.520 3.156 1.00 0.00 C ATOM 94 C GLN A 6 6.921 6.362 2.400 1.00 0.00 C ATOM 95 O GLN A 6 6.246 5.433 1.962 1.00 0.00 O ATOM 96 CB GLN A 6 5.984 8.686 2.202 1.00 0.00 C ATOM 97 CG GLN A 6 5.007 8.353 1.090 1.00 0.00 C ATOM 98 CD GLN A 6 3.661 7.914 1.622 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.428 6.732 1.852 1.00 0.00 O ATOM 100 NE2 GLN A 6 2.762 8.862 1.824 1.00 0.00 N ATOM 0 H GLN A 6 7.319 8.982 4.214 1.00 0.00 H new ATOM 0 HA GLN A 6 5.326 7.150 3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.592 9.526 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.925 9.014 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.876 9.226 0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.425 7.562 0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.992 9.835 1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.838 8.621 2.183 1.00 0.00 H new ATOM 109 N LYS A 7 8.242 6.405 2.272 1.00 0.00 N ATOM 110 CA LYS A 7 8.969 5.354 1.571 1.00 0.00 C ATOM 111 C LYS A 7 8.882 4.033 2.335 1.00 0.00 C ATOM 112 O LYS A 7 8.791 2.959 1.738 1.00 0.00 O ATOM 113 CB LYS A 7 10.426 5.772 1.356 1.00 0.00 C ATOM 114 CG LYS A 7 10.748 6.131 -0.090 1.00 0.00 C ATOM 115 CD LYS A 7 11.937 7.078 -0.193 1.00 0.00 C ATOM 116 CE LYS A 7 11.563 8.481 0.265 1.00 0.00 C ATOM 117 NZ LYS A 7 12.712 9.427 0.221 1.00 0.00 N ATOM 0 H LYS A 7 8.829 7.152 2.642 1.00 0.00 H new ATOM 0 HA LYS A 7 8.509 5.203 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.648 6.628 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.080 4.960 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.960 5.221 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.875 6.593 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.760 6.701 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.291 7.111 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.760 8.862 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.175 8.435 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.362 10.402 0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.363 9.220 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.215 9.321 -0.683 1.00 0.00 H new ATOM 131 N ALA A 8 8.888 4.125 3.661 1.00 0.00 N ATOM 132 CA ALA A 8 8.733 2.950 4.510 1.00 0.00 C ATOM 133 C ALA A 8 7.280 2.497 4.535 1.00 0.00 C ATOM 134 O ALA A 8 6.997 1.301 4.613 1.00 0.00 O ATOM 135 CB ALA A 8 9.232 3.238 5.920 1.00 0.00 C ATOM 0 H ALA A 8 8.999 5.002 4.171 1.00 0.00 H new ATOM 0 HA ALA A 8 9.336 2.143 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.108 2.349 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.287 3.511 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.659 4.061 6.348 1.00 0.00 H new ATOM 141 N ILE A 9 6.362 3.462 4.462 1.00 0.00 N ATOM 142 CA ILE A 9 4.931 3.168 4.421 1.00 0.00 C ATOM 143 C ILE A 9 4.603 2.322 3.200 1.00 0.00 C ATOM 144 O ILE A 9 3.964 1.274 3.311 1.00 0.00 O ATOM 145 CB ILE A 9 4.083 4.460 4.382 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.352 5.317 5.618 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.599 4.124 4.280 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.636 6.653 5.598 1.00 0.00 C ATOM 0 H ILE A 9 6.586 4.457 4.430 1.00 0.00 H new ATOM 0 HA ILE A 9 4.686 2.621 5.331 1.00 0.00 H new ATOM 0 HB ILE A 9 4.369 5.030 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.047 4.764 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.425 5.490 5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.018 5.046 4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.417 3.554 3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.300 3.531 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.874 7.207 6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.959 7.226 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.560 6.488 5.545 1.00 0.00 H new ATOM 160 N PHE A 10 5.064 2.781 2.039 1.00 0.00 N ATOM 161 CA PHE A 10 4.869 2.065 0.785 1.00 0.00 C ATOM 162 C PHE A 10 5.375 0.630 0.912 1.00 0.00 C ATOM 163 O PHE A 10 4.702 -0.316 0.504 1.00 0.00 O ATOM 164 CB PHE A 10 5.600 2.790 -0.350 1.00 0.00 C ATOM 165 CG PHE A 10 5.343 2.213 -1.713 1.00 0.00 C ATOM 166 CD1 PHE A 10 4.190 2.538 -2.409 1.00 0.00 C ATOM 167 CD2 PHE A 10 6.253 1.347 -2.299 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.949 2.011 -3.663 1.00 0.00 C ATOM 169 CE2 PHE A 10 6.017 0.817 -3.553 1.00 0.00 C ATOM 170 CZ PHE A 10 4.864 1.149 -4.235 1.00 0.00 C ATOM 0 H PHE A 10 5.580 3.655 1.943 1.00 0.00 H new ATOM 0 HA PHE A 10 3.804 2.037 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.301 3.838 -0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.672 2.764 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.471 3.211 -1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.157 1.084 -1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.046 2.273 -4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.734 0.144 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.677 0.735 -5.215 1.00 0.00 H new ATOM 180 N SER A 11 6.557 0.481 1.499 1.00 0.00 N ATOM 181 CA SER A 11 7.149 -0.830 1.722 1.00 0.00 C ATOM 182 C SER A 11 6.261 -1.682 2.630 1.00 0.00 C ATOM 183 O SER A 11 5.907 -2.812 2.284 1.00 0.00 O ATOM 184 CB SER A 11 8.542 -0.676 2.343 1.00 0.00 C ATOM 185 OG SER A 11 9.112 -1.935 2.662 1.00 0.00 O ATOM 0 H SER A 11 7.127 1.259 1.831 1.00 0.00 H new ATOM 0 HA SER A 11 7.238 -1.335 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.194 -0.146 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.474 -0.067 3.245 1.00 0.00 H new ATOM 0 HG SER A 11 9.113 -2.505 1.865 1.00 0.00 H new ATOM 191 N GLU A 12 5.902 -1.125 3.782 1.00 0.00 N ATOM 192 CA GLU A 12 5.102 -1.834 4.778 1.00 0.00 C ATOM 193 C GLU A 12 3.755 -2.271 4.206 1.00 0.00 C ATOM 194 O GLU A 12 3.393 -3.445 4.268 1.00 0.00 O ATOM 195 CB GLU A 12 4.881 -0.929 5.996 1.00 0.00 C ATOM 196 CG GLU A 12 4.062 -1.567 7.108 1.00 0.00 C ATOM 197 CD GLU A 12 4.775 -2.718 7.782 1.00 0.00 C ATOM 198 OE1 GLU A 12 4.669 -3.863 7.294 1.00 0.00 O ATOM 199 OE2 GLU A 12 5.435 -2.483 8.818 1.00 0.00 O ATOM 0 H GLU A 12 6.155 -0.174 4.052 1.00 0.00 H new ATOM 0 HA GLU A 12 5.646 -2.731 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.851 -0.636 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.382 -0.016 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.820 -0.810 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.117 -1.923 6.697 1.00 0.00 H new ATOM 206 N ASN A 13 3.027 -1.321 3.641 1.00 0.00 N ATOM 207 CA ASN A 13 1.681 -1.575 3.142 1.00 0.00 C ATOM 208 C ASN A 13 1.690 -2.565 1.987 1.00 0.00 C ATOM 209 O ASN A 13 0.878 -3.492 1.946 1.00 0.00 O ATOM 210 CB ASN A 13 1.018 -0.264 2.715 1.00 0.00 C ATOM 211 CG ASN A 13 0.629 0.602 3.901 1.00 0.00 C ATOM 212 OD1 ASN A 13 1.202 0.493 4.988 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.342 1.474 3.702 1.00 0.00 N ATOM 0 H ASN A 13 3.347 -0.361 3.515 1.00 0.00 H new ATOM 0 HA ASN A 13 1.103 -2.018 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.700 0.292 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.130 -0.485 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.641 2.086 4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.793 1.536 2.789 1.00 0.00 H new ATOM 220 N LEU A 14 2.624 -2.383 1.059 1.00 0.00 N ATOM 221 CA LEU A 14 2.732 -3.263 -0.100 1.00 0.00 C ATOM 222 C LEU A 14 3.015 -4.697 0.341 1.00 0.00 C ATOM 223 O LEU A 14 2.342 -5.630 -0.096 1.00 0.00 O ATOM 224 CB LEU A 14 3.837 -2.772 -1.037 1.00 0.00 C ATOM 225 CG LEU A 14 3.955 -3.524 -2.366 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.691 -3.353 -3.198 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.170 -3.044 -3.144 1.00 0.00 C ATOM 0 H LEU A 14 3.317 -1.635 1.087 1.00 0.00 H new ATOM 0 HA LEU A 14 1.783 -3.246 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.667 -1.717 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.791 -2.842 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 14 4.080 -4.584 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.798 -3.896 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.837 -3.746 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.533 -2.295 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.238 -3.589 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.073 -1.978 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.071 -3.220 -2.557 1.00 0.00 H new ATOM 239 N ASN A 15 3.987 -4.854 1.238 1.00 0.00 N ATOM 240 CA ASN A 15 4.396 -6.175 1.724 1.00 0.00 C ATOM 241 C ASN A 15 3.234 -6.930 2.357 1.00 0.00 C ATOM 242 O ASN A 15 3.129 -8.150 2.217 1.00 0.00 O ATOM 243 CB ASN A 15 5.540 -6.049 2.734 1.00 0.00 C ATOM 244 CG ASN A 15 6.903 -6.119 2.075 1.00 0.00 C ATOM 245 OD1 ASN A 15 7.475 -7.196 1.927 1.00 0.00 O ATOM 246 ND2 ASN A 15 7.439 -4.974 1.683 1.00 0.00 N ATOM 0 H ASN A 15 4.510 -4.079 1.646 1.00 0.00 H new ATOM 0 HA ASN A 15 4.739 -6.743 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.446 -5.104 3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.456 -6.844 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.358 -4.966 1.241 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.933 -4.100 1.823 1.00 0.00 H new ATOM 253 N SER A 16 2.358 -6.198 3.037 1.00 0.00 N ATOM 254 CA SER A 16 1.206 -6.795 3.697 1.00 0.00 C ATOM 255 C SER A 16 0.289 -7.480 2.682 1.00 0.00 C ATOM 256 O SER A 16 -0.190 -8.591 2.915 1.00 0.00 O ATOM 257 CB SER A 16 0.435 -5.727 4.478 1.00 0.00 C ATOM 258 OG SER A 16 1.265 -5.104 5.447 1.00 0.00 O ATOM 0 H SER A 16 2.426 -5.186 3.145 1.00 0.00 H new ATOM 0 HA SER A 16 1.564 -7.553 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.048 -4.976 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.425 -6.181 4.970 1.00 0.00 H new ATOM 0 HG SER A 16 1.951 -4.570 4.995 1.00 0.00 H new ATOM 264 N TYR A 17 0.071 -6.827 1.544 1.00 0.00 N ATOM 265 CA TYR A 17 -0.795 -7.377 0.506 1.00 0.00 C ATOM 266 C TYR A 17 -0.080 -8.466 -0.286 1.00 0.00 C ATOM 267 O TYR A 17 -0.691 -9.468 -0.661 1.00 0.00 O ATOM 268 CB TYR A 17 -1.286 -6.269 -0.434 1.00 0.00 C ATOM 269 CG TYR A 17 -2.200 -5.274 0.241 1.00 0.00 C ATOM 270 CD1 TYR A 17 -3.469 -5.649 0.655 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.798 -3.963 0.466 1.00 0.00 C ATOM 272 CE1 TYR A 17 -4.310 -4.750 1.278 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.635 -3.057 1.088 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.890 -3.456 1.491 1.00 0.00 C ATOM 275 OH TYR A 17 -4.729 -2.560 2.115 1.00 0.00 O ATOM 0 H TYR A 17 0.480 -5.920 1.318 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.659 -7.825 0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.425 -5.741 -0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.811 -6.722 -1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.805 -6.662 0.487 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.815 -3.647 0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.294 -5.060 1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.307 -2.042 1.257 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.019 -1.881 1.471 1.00 0.00 H new ATOM 285 N ILE A 18 1.214 -8.274 -0.525 1.00 0.00 N ATOM 286 CA ILE A 18 2.016 -9.254 -1.261 1.00 0.00 C ATOM 287 C ILE A 18 1.974 -10.618 -0.575 1.00 0.00 C ATOM 288 O ILE A 18 1.687 -11.633 -1.209 1.00 0.00 O ATOM 289 CB ILE A 18 3.489 -8.802 -1.408 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.569 -7.474 -2.163 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.316 -9.867 -2.124 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.972 -6.913 -2.243 1.00 0.00 C ATOM 0 H ILE A 18 1.732 -7.450 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 18 1.578 -9.333 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 18 3.901 -8.662 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.184 -7.615 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.922 -6.746 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.347 -9.526 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.289 -10.794 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.902 -10.042 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.956 -5.971 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.353 -6.741 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.619 -7.623 -2.759 1.00 0.00 H new ATOM 304 N ALA A 19 2.234 -10.631 0.729 1.00 0.00 N ATOM 305 CA ALA A 19 2.265 -11.874 1.496 1.00 0.00 C ATOM 306 C ALA A 19 0.888 -12.536 1.546 1.00 0.00 C ATOM 307 O ALA A 19 0.775 -13.763 1.537 1.00 0.00 O ATOM 308 CB ALA A 19 2.772 -11.604 2.903 1.00 0.00 C ATOM 0 H ALA A 19 2.427 -9.793 1.278 1.00 0.00 H new ATOM 0 HA ALA A 19 2.945 -12.562 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.792 -12.536 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.778 -11.188 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.110 -10.894 3.398 1.00 0.00 H new ATOM 314 N LYS A 20 -0.158 -11.718 1.581 1.00 0.00 N ATOM 315 CA LYS A 20 -1.516 -12.226 1.671 1.00 0.00 C ATOM 316 C LYS A 20 -2.028 -12.715 0.317 1.00 0.00 C ATOM 317 O LYS A 20 -2.896 -13.588 0.252 1.00 0.00 O ATOM 318 CB LYS A 20 -2.434 -11.155 2.260 1.00 0.00 C ATOM 319 CG LYS A 20 -2.394 -11.129 3.779 1.00 0.00 C ATOM 320 CD LYS A 20 -3.328 -10.084 4.369 1.00 0.00 C ATOM 321 CE LYS A 20 -3.336 -10.168 5.887 1.00 0.00 C ATOM 322 NZ LYS A 20 -4.155 -9.097 6.513 1.00 0.00 N ATOM 0 H LYS A 20 -0.088 -10.701 1.548 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.515 -13.089 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.142 -10.178 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.457 -11.335 1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.665 -12.112 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.375 -10.928 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.012 -9.089 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.338 -10.233 3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.722 -11.141 6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.313 -10.101 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.128 -9.199 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.773 -8.167 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.138 -9.175 6.184 1.00 0.00 H new ATOM 336 N SER A 21 -1.490 -12.162 -0.759 1.00 0.00 N ATOM 337 CA SER A 21 -1.806 -12.642 -2.095 1.00 0.00 C ATOM 338 C SER A 21 -1.009 -13.916 -2.377 1.00 0.00 C ATOM 339 O SER A 21 -1.473 -14.823 -3.072 1.00 0.00 O ATOM 340 CB SER A 21 -1.493 -11.558 -3.134 1.00 0.00 C ATOM 341 OG SER A 21 -1.960 -11.922 -4.422 1.00 0.00 O ATOM 0 H SER A 21 -0.834 -11.382 -0.733 1.00 0.00 H new ATOM 0 HA SER A 21 -2.870 -12.872 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.954 -10.618 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.417 -11.388 -3.171 1.00 0.00 H new ATOM 0 HG SER A 21 -1.747 -11.210 -5.061 1.00 0.00 H new ATOM 347 N GLU A 22 0.194 -13.959 -1.810 1.00 0.00 N ATOM 348 CA GLU A 22 1.087 -15.112 -1.894 1.00 0.00 C ATOM 349 C GLU A 22 1.543 -15.357 -3.333 1.00 0.00 C ATOM 350 O GLU A 22 1.843 -16.484 -3.731 1.00 0.00 O ATOM 351 CB GLU A 22 0.431 -16.359 -1.286 1.00 0.00 C ATOM 352 CG GLU A 22 1.412 -17.497 -1.028 1.00 0.00 C ATOM 353 CD GLU A 22 0.859 -18.548 -0.094 1.00 0.00 C ATOM 354 OE1 GLU A 22 0.082 -19.414 -0.551 1.00 0.00 O ATOM 355 OE2 GLU A 22 1.193 -18.511 1.108 1.00 0.00 O ATOM 0 H GLU A 22 0.581 -13.184 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 22 1.979 -14.891 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.051 -16.085 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.353 -16.711 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.677 -17.964 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.331 -17.090 -0.606 1.00 0.00 H new ATOM 362 N LYS A 23 1.598 -14.294 -4.114 1.00 0.00 N ATOM 363 CA LYS A 23 2.253 -14.339 -5.403 1.00 0.00 C ATOM 364 C LYS A 23 3.665 -13.806 -5.238 1.00 0.00 C ATOM 365 O LYS A 23 3.899 -12.910 -4.425 1.00 0.00 O ATOM 366 CB LYS A 23 1.481 -13.521 -6.441 1.00 0.00 C ATOM 367 CG LYS A 23 0.460 -14.328 -7.235 1.00 0.00 C ATOM 368 CD LYS A 23 -0.735 -14.723 -6.382 1.00 0.00 C ATOM 369 CE LYS A 23 -1.677 -15.656 -7.127 1.00 0.00 C ATOM 370 NZ LYS A 23 -1.064 -16.991 -7.363 1.00 0.00 N ATOM 0 H LYS A 23 1.195 -13.388 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 23 2.283 -15.367 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.968 -12.703 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.191 -13.071 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.119 -13.743 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.935 -15.225 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.386 -15.210 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.276 -13.827 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.597 -15.775 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.951 -15.208 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.795 -17.657 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.325 -16.910 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.643 -17.341 -6.479 1.00 0.00 H new ATOM 384 N THR A 24 4.607 -14.360 -5.983 1.00 0.00 N ATOM 385 CA THR A 24 6.002 -13.990 -5.809 1.00 0.00 C ATOM 386 C THR A 24 6.252 -12.584 -6.333 1.00 0.00 C ATOM 387 O THR A 24 5.501 -12.083 -7.175 1.00 0.00 O ATOM 388 CB THR A 24 6.952 -14.983 -6.510 1.00 0.00 C ATOM 389 OG1 THR A 24 6.667 -15.035 -7.914 1.00 0.00 O ATOM 390 CG2 THR A 24 6.818 -16.376 -5.910 1.00 0.00 C ATOM 0 H THR A 24 4.435 -15.059 -6.706 1.00 0.00 H new ATOM 0 HA THR A 24 6.211 -14.020 -4.740 1.00 0.00 H new ATOM 0 HB THR A 24 7.974 -14.635 -6.362 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.277 -15.667 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.497 -17.059 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.068 -16.341 -4.850 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.793 -16.727 -6.030 1.00 0.00 H new ATOM 398 N GLN A 25 7.300 -11.945 -5.827 1.00 0.00 N ATOM 399 CA GLN A 25 7.673 -10.615 -6.281 1.00 0.00 C ATOM 400 C GLN A 25 7.928 -10.634 -7.776 1.00 0.00 C ATOM 401 O GLN A 25 7.618 -9.681 -8.489 1.00 0.00 O ATOM 402 CB GLN A 25 8.923 -10.129 -5.548 1.00 0.00 C ATOM 403 CG GLN A 25 8.724 -9.947 -4.050 1.00 0.00 C ATOM 404 CD GLN A 25 9.929 -9.330 -3.366 1.00 0.00 C ATOM 405 OE1 GLN A 25 9.795 -8.628 -2.363 1.00 0.00 O ATOM 406 NE2 GLN A 25 11.115 -9.590 -3.900 1.00 0.00 N ATOM 0 H GLN A 25 7.906 -12.329 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 25 6.853 -9.930 -6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.731 -10.842 -5.714 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.241 -9.181 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.852 -9.316 -3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.511 -10.915 -3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.182 -10.177 -4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.960 -9.203 -3.479 1.00 0.00 H new ATOM 415 N LEU A 26 8.486 -11.743 -8.236 1.00 0.00 N ATOM 416 CA LEU A 26 8.749 -11.964 -9.634 1.00 0.00 C ATOM 417 C LEU A 26 7.450 -11.948 -10.438 1.00 0.00 C ATOM 418 O LEU A 26 7.334 -11.249 -11.445 1.00 0.00 O ATOM 419 CB LEU A 26 9.431 -13.314 -9.781 1.00 0.00 C ATOM 420 CG LEU A 26 10.615 -13.560 -8.839 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.254 -14.905 -9.122 1.00 0.00 C ATOM 422 CD2 LEU A 26 11.648 -12.459 -8.967 1.00 0.00 C ATOM 0 H LEU A 26 8.769 -12.518 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 26 9.390 -11.169 -10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.690 -14.096 -9.617 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.779 -13.416 -10.809 1.00 0.00 H new ATOM 0 HG LEU A 26 10.233 -13.560 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.092 -15.060 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.518 -15.695 -8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.612 -14.928 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.477 -12.658 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.018 -12.425 -9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.193 -11.502 -8.713 1.00 0.00 H new ATOM 434 N GLU A 27 6.475 -12.716 -9.964 1.00 0.00 N ATOM 435 CA GLU A 27 5.163 -12.795 -10.588 1.00 0.00 C ATOM 436 C GLU A 27 4.461 -11.441 -10.601 1.00 0.00 C ATOM 437 O GLU A 27 3.865 -11.048 -11.608 1.00 0.00 O ATOM 438 CB GLU A 27 4.317 -13.828 -9.851 1.00 0.00 C ATOM 439 CG GLU A 27 4.638 -15.257 -10.249 1.00 0.00 C ATOM 440 CD GLU A 27 4.356 -15.530 -11.710 1.00 0.00 C ATOM 441 OE1 GLU A 27 3.186 -15.795 -12.047 1.00 0.00 O ATOM 442 OE2 GLU A 27 5.299 -15.478 -12.526 1.00 0.00 O ATOM 0 H GLU A 27 6.574 -13.302 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 27 5.293 -13.099 -11.627 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.469 -13.714 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.263 -13.631 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.688 -15.461 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.052 -15.942 -9.635 1.00 0.00 H new ATOM 449 N ILE A 28 4.537 -10.726 -9.488 1.00 0.00 N ATOM 450 CA ILE A 28 3.929 -9.408 -9.392 1.00 0.00 C ATOM 451 C ILE A 28 4.604 -8.430 -10.353 1.00 0.00 C ATOM 452 O ILE A 28 3.930 -7.714 -11.092 1.00 0.00 O ATOM 453 CB ILE A 28 3.988 -8.848 -7.956 1.00 0.00 C ATOM 454 CG1 ILE A 28 3.273 -9.796 -6.990 1.00 0.00 C ATOM 455 CG2 ILE A 28 3.358 -7.461 -7.902 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.300 -9.341 -5.545 1.00 0.00 C ATOM 0 H ILE A 28 5.013 -11.036 -8.641 1.00 0.00 H new ATOM 0 HA ILE A 28 2.881 -9.521 -9.668 1.00 0.00 H new ATOM 0 HB ILE A 28 5.032 -8.766 -7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.236 -9.905 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.733 -10.782 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.407 -7.079 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.900 -6.789 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.316 -7.522 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.773 -10.066 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.334 -9.259 -5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.813 -8.369 -5.460 1.00 0.00 H new ATOM 468 N ALA A 29 5.934 -8.421 -10.354 1.00 0.00 N ATOM 469 CA ALA A 29 6.702 -7.557 -11.250 1.00 0.00 C ATOM 470 C ALA A 29 6.381 -7.871 -12.707 1.00 0.00 C ATOM 471 O ALA A 29 6.251 -6.965 -13.534 1.00 0.00 O ATOM 472 CB ALA A 29 8.193 -7.712 -10.985 1.00 0.00 C ATOM 0 H ALA A 29 6.505 -9.004 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 29 6.421 -6.522 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.752 -7.063 -11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.410 -7.436 -9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.487 -8.748 -11.153 1.00 0.00 H new ATOM 478 N LYS A 30 6.243 -9.160 -13.005 1.00 0.00 N ATOM 479 CA LYS A 30 5.850 -9.619 -14.334 1.00 0.00 C ATOM 480 C LYS A 30 4.494 -9.037 -14.725 1.00 0.00 C ATOM 481 O LYS A 30 4.291 -8.605 -15.860 1.00 0.00 O ATOM 482 CB LYS A 30 5.788 -11.148 -14.352 1.00 0.00 C ATOM 483 CG LYS A 30 5.236 -11.744 -15.637 1.00 0.00 C ATOM 484 CD LYS A 30 5.087 -13.251 -15.512 1.00 0.00 C ATOM 485 CE LYS A 30 4.434 -13.861 -16.740 1.00 0.00 C ATOM 486 NZ LYS A 30 3.071 -13.318 -16.984 1.00 0.00 N ATOM 0 H LYS A 30 6.400 -9.913 -12.335 1.00 0.00 H new ATOM 0 HA LYS A 30 6.592 -9.278 -15.056 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.791 -11.541 -14.186 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.172 -11.483 -13.518 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.269 -11.296 -15.865 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.901 -11.507 -16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.068 -13.701 -15.362 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.490 -13.485 -14.630 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.059 -13.672 -17.613 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.375 -14.943 -16.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.564 -13.938 -17.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.549 -13.273 -16.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.145 -12.363 -17.390 1.00 0.00 H new ATOM 500 N SER A 31 3.574 -9.024 -13.771 1.00 0.00 N ATOM 501 CA SER A 31 2.240 -8.490 -14.001 1.00 0.00 C ATOM 502 C SER A 31 2.290 -6.975 -14.214 1.00 0.00 C ATOM 503 O SER A 31 1.605 -6.434 -15.083 1.00 0.00 O ATOM 504 CB SER A 31 1.335 -8.825 -12.815 1.00 0.00 C ATOM 505 OG SER A 31 1.338 -10.221 -12.540 1.00 0.00 O ATOM 0 H SER A 31 3.728 -9.379 -12.827 1.00 0.00 H new ATOM 0 HA SER A 31 1.834 -8.948 -14.903 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.670 -8.278 -11.934 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.318 -8.496 -13.027 1.00 0.00 H new ATOM 0 HG SER A 31 2.215 -10.483 -12.189 1.00 0.00 H new ATOM 511 N ILE A 32 3.121 -6.303 -13.423 1.00 0.00 N ATOM 512 CA ILE A 32 3.275 -4.855 -13.502 1.00 0.00 C ATOM 513 C ILE A 32 3.970 -4.445 -14.800 1.00 0.00 C ATOM 514 O ILE A 32 3.576 -3.474 -15.451 1.00 0.00 O ATOM 515 CB ILE A 32 4.068 -4.313 -12.289 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.362 -4.676 -10.979 1.00 0.00 C ATOM 517 CG2 ILE A 32 4.252 -2.807 -12.392 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.926 -4.201 -10.908 1.00 0.00 C ATOM 0 H ILE A 32 3.704 -6.745 -12.712 1.00 0.00 H new ATOM 0 HA ILE A 32 2.275 -4.421 -13.489 1.00 0.00 H new ATOM 0 HB ILE A 32 5.053 -4.779 -12.293 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.384 -5.758 -10.853 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.919 -4.247 -10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.812 -2.449 -11.528 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.800 -2.569 -13.304 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.276 -2.322 -12.418 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.492 -4.495 -9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.897 -3.115 -11.001 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.354 -4.650 -11.719 1.00 0.00 H new ATOM 530 N GLY A 33 5.012 -5.178 -15.162 1.00 0.00 N ATOM 531 CA GLY A 33 5.726 -4.895 -16.390 1.00 0.00 C ATOM 532 C GLY A 33 7.113 -4.353 -16.133 1.00 0.00 C ATOM 533 O GLY A 33 7.673 -3.634 -16.959 1.00 0.00 O ATOM 0 H GLY A 33 5.377 -5.966 -14.626 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.798 -5.806 -16.984 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.160 -4.174 -16.979 1.00 0.00 H new ATOM 537 N VAL A 34 7.672 -4.701 -14.984 1.00 0.00 N ATOM 538 CA VAL A 34 8.988 -4.221 -14.597 1.00 0.00 C ATOM 539 C VAL A 34 9.873 -5.379 -14.166 1.00 0.00 C ATOM 540 O VAL A 34 9.385 -6.482 -13.908 1.00 0.00 O ATOM 541 CB VAL A 34 8.905 -3.190 -13.449 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.207 -1.920 -13.913 1.00 0.00 C ATOM 543 CG2 VAL A 34 8.193 -3.786 -12.242 1.00 0.00 C ATOM 0 H VAL A 34 7.231 -5.317 -14.301 1.00 0.00 H new ATOM 0 HA VAL A 34 9.421 -3.733 -15.470 1.00 0.00 H new ATOM 0 HB VAL A 34 9.921 -2.929 -13.152 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.160 -1.209 -13.088 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.764 -1.480 -14.740 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.196 -2.160 -14.243 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.145 -3.044 -11.445 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.182 -4.081 -12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.741 -4.660 -11.891 1.00 0.00 H new ATOM 553 N SER A 35 11.171 -5.128 -14.096 1.00 0.00 N ATOM 554 CA SER A 35 12.117 -6.143 -13.675 1.00 0.00 C ATOM 555 C SER A 35 11.981 -6.404 -12.176 1.00 0.00 C ATOM 556 O SER A 35 11.718 -5.482 -11.396 1.00 0.00 O ATOM 557 CB SER A 35 13.542 -5.701 -14.021 1.00 0.00 C ATOM 558 OG SER A 35 13.656 -5.402 -15.404 1.00 0.00 O ATOM 0 H SER A 35 11.592 -4.228 -14.326 1.00 0.00 H new ATOM 0 HA SER A 35 11.902 -7.072 -14.203 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.808 -4.824 -13.432 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.246 -6.489 -13.756 1.00 0.00 H new ATOM 0 HG SER A 35 14.573 -5.120 -15.603 1.00 0.00 H new ATOM 564 N PRO A 36 12.156 -7.666 -11.753 1.00 0.00 N ATOM 565 CA PRO A 36 12.013 -8.067 -10.348 1.00 0.00 C ATOM 566 C PRO A 36 12.984 -7.330 -9.428 1.00 0.00 C ATOM 567 O PRO A 36 12.678 -7.069 -8.267 1.00 0.00 O ATOM 568 CB PRO A 36 12.303 -9.578 -10.370 1.00 0.00 C ATOM 569 CG PRO A 36 13.031 -9.817 -11.646 1.00 0.00 C ATOM 570 CD PRO A 36 12.490 -8.810 -12.617 1.00 0.00 C ATOM 0 HA PRO A 36 11.026 -7.825 -9.953 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.905 -9.876 -9.511 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.380 -10.157 -10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.106 -9.694 -11.512 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.869 -10.833 -12.005 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.227 -8.543 -13.374 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.614 -9.187 -13.144 1.00 0.00 H new ATOM 578 N GLN A 37 14.145 -6.972 -9.959 1.00 0.00 N ATOM 579 CA GLN A 37 15.133 -6.233 -9.189 1.00 0.00 C ATOM 580 C GLN A 37 14.731 -4.772 -9.029 1.00 0.00 C ATOM 581 O GLN A 37 15.162 -4.099 -8.095 1.00 0.00 O ATOM 582 CB GLN A 37 16.504 -6.338 -9.838 1.00 0.00 C ATOM 583 CG GLN A 37 17.178 -7.678 -9.591 1.00 0.00 C ATOM 584 CD GLN A 37 18.559 -7.763 -10.205 1.00 0.00 C ATOM 585 OE1 GLN A 37 19.549 -7.392 -9.577 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.638 -8.282 -11.418 1.00 0.00 N ATOM 0 H GLN A 37 14.424 -7.181 -10.917 1.00 0.00 H new ATOM 0 HA GLN A 37 15.181 -6.678 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.404 -6.180 -10.912 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.142 -5.541 -9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.252 -7.850 -8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.555 -8.474 -9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.790 -8.577 -11.903 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.547 -8.388 -11.869 1.00 0.00 H new ATOM 595 N THR A 38 13.891 -4.289 -9.933 1.00 0.00 N ATOM 596 CA THR A 38 13.363 -2.938 -9.831 1.00 0.00 C ATOM 597 C THR A 38 12.255 -2.917 -8.781 1.00 0.00 C ATOM 598 O THR A 38 12.118 -1.971 -8.008 1.00 0.00 O ATOM 599 CB THR A 38 12.812 -2.452 -11.188 1.00 0.00 C ATOM 600 OG1 THR A 38 13.777 -2.701 -12.225 1.00 0.00 O ATOM 601 CG2 THR A 38 12.482 -0.966 -11.150 1.00 0.00 C ATOM 0 H THR A 38 13.561 -4.812 -10.744 1.00 0.00 H new ATOM 0 HA THR A 38 14.169 -2.266 -9.538 1.00 0.00 H new ATOM 0 HB THR A 38 11.895 -3.003 -11.395 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.421 -2.392 -13.084 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.096 -0.654 -12.121 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.730 -0.780 -10.384 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.384 -0.399 -10.919 1.00 0.00 H new ATOM 609 N PHE A 39 11.488 -3.999 -8.750 1.00 0.00 N ATOM 610 CA PHE A 39 10.473 -4.201 -7.727 1.00 0.00 C ATOM 611 C PHE A 39 11.136 -4.279 -6.351 1.00 0.00 C ATOM 612 O PHE A 39 10.589 -3.817 -5.350 1.00 0.00 O ATOM 613 CB PHE A 39 9.710 -5.492 -8.029 1.00 0.00 C ATOM 614 CG PHE A 39 8.530 -5.746 -7.128 1.00 0.00 C ATOM 615 CD1 PHE A 39 7.281 -5.227 -7.433 1.00 0.00 C ATOM 616 CD2 PHE A 39 8.668 -6.516 -5.983 1.00 0.00 C ATOM 617 CE1 PHE A 39 6.195 -5.468 -6.611 1.00 0.00 C ATOM 618 CE2 PHE A 39 7.587 -6.760 -5.159 1.00 0.00 C ATOM 619 CZ PHE A 39 6.349 -6.237 -5.472 1.00 0.00 C ATOM 0 H PHE A 39 11.552 -4.757 -9.430 1.00 0.00 H new ATOM 0 HA PHE A 39 9.774 -3.365 -7.726 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.362 -5.460 -9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.399 -6.333 -7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.155 -4.628 -8.323 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.633 -6.930 -5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.228 -5.056 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.711 -7.360 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.502 -6.428 -4.829 1.00 0.00 H new ATOM 629 N ASN A 40 12.330 -4.866 -6.330 1.00 0.00 N ATOM 630 CA ASN A 40 13.128 -5.001 -5.114 1.00 0.00 C ATOM 631 C ASN A 40 13.345 -3.655 -4.422 1.00 0.00 C ATOM 632 O ASN A 40 13.126 -3.531 -3.217 1.00 0.00 O ATOM 633 CB ASN A 40 14.475 -5.661 -5.451 1.00 0.00 C ATOM 634 CG ASN A 40 15.547 -5.417 -4.405 1.00 0.00 C ATOM 635 OD1 ASN A 40 15.634 -6.122 -3.401 1.00 0.00 O ATOM 636 ND2 ASN A 40 16.393 -4.431 -4.658 1.00 0.00 N ATOM 0 H ASN A 40 12.773 -5.263 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 40 12.579 -5.634 -4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 40 14.326 -6.735 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.824 -5.285 -6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.153 -4.232 -4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.285 -3.870 -5.503 1.00 0.00 H new ATOM 643 N THR A 41 13.750 -2.640 -5.181 1.00 0.00 N ATOM 644 CA THR A 41 14.032 -1.330 -4.603 1.00 0.00 C ATOM 645 C THR A 41 12.762 -0.658 -4.081 1.00 0.00 C ATOM 646 O THR A 41 12.818 0.179 -3.177 1.00 0.00 O ATOM 647 CB THR A 41 14.744 -0.407 -5.614 1.00 0.00 C ATOM 648 OG1 THR A 41 14.166 -0.555 -6.920 1.00 0.00 O ATOM 649 CG2 THR A 41 16.231 -0.725 -5.680 1.00 0.00 C ATOM 0 H THR A 41 13.889 -2.699 -6.190 1.00 0.00 H new ATOM 0 HA THR A 41 14.701 -1.497 -3.759 1.00 0.00 H new ATOM 0 HB THR A 41 14.616 0.622 -5.277 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.326 -1.056 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.713 -0.062 -6.399 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.678 -0.580 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.368 -1.760 -5.992 1.00 0.00 H new ATOM 657 N TRP A 42 11.620 -1.048 -4.629 1.00 0.00 N ATOM 658 CA TRP A 42 10.343 -0.519 -4.175 1.00 0.00 C ATOM 659 C TRP A 42 9.909 -1.227 -2.902 1.00 0.00 C ATOM 660 O TRP A 42 9.534 -0.595 -1.916 1.00 0.00 O ATOM 661 CB TRP A 42 9.264 -0.706 -5.245 1.00 0.00 C ATOM 662 CG TRP A 42 9.562 -0.034 -6.550 1.00 0.00 C ATOM 663 CD1 TRP A 42 10.439 0.988 -6.776 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.955 -0.330 -7.812 1.00 0.00 C ATOM 665 NE1 TRP A 42 10.419 1.343 -8.104 1.00 0.00 N ATOM 666 CE2 TRP A 42 9.515 0.546 -8.760 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.997 -1.257 -8.231 1.00 0.00 C ATOM 668 CZ2 TRP A 42 9.141 0.528 -10.101 1.00 0.00 C ATOM 669 CZ3 TRP A 42 7.627 -1.274 -9.562 1.00 0.00 C ATOM 670 CH2 TRP A 42 8.199 -0.389 -10.484 1.00 0.00 C ATOM 0 H TRP A 42 11.552 -1.727 -5.387 1.00 0.00 H new ATOM 0 HA TRP A 42 10.469 0.546 -3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.127 -1.773 -5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.319 -0.323 -4.861 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.058 1.450 -6.021 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.983 2.078 -8.531 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.554 -1.947 -7.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.578 1.212 -10.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.884 -1.982 -9.897 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.891 -0.430 -11.518 1.00 0.00 H new ATOM 681 N CYS A 43 9.990 -2.550 -2.932 1.00 0.00 N ATOM 682 CA CYS A 43 9.567 -3.385 -1.816 1.00 0.00 C ATOM 683 C CYS A 43 10.430 -3.130 -0.582 1.00 0.00 C ATOM 684 O CYS A 43 9.967 -3.268 0.551 1.00 0.00 O ATOM 685 CB CYS A 43 9.637 -4.860 -2.224 1.00 0.00 C ATOM 686 SG CYS A 43 9.002 -6.016 -0.991 1.00 0.00 S ATOM 0 H CYS A 43 10.350 -3.074 -3.729 1.00 0.00 H new ATOM 0 HA CYS A 43 8.538 -3.131 -1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.077 -4.994 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.675 -5.114 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 43 9.291 -7.232 -1.347 1.00 0.00 H new ATOM 692 N LYS A 44 11.677 -2.741 -0.809 1.00 0.00 N ATOM 693 CA LYS A 44 12.595 -2.428 0.271 1.00 0.00 C ATOM 694 C LYS A 44 12.361 -1.023 0.817 1.00 0.00 C ATOM 695 O LYS A 44 12.946 -0.641 1.832 1.00 0.00 O ATOM 696 CB LYS A 44 14.031 -2.557 -0.222 1.00 0.00 C ATOM 697 CG LYS A 44 14.564 -3.975 -0.188 1.00 0.00 C ATOM 698 CD LYS A 44 16.027 -4.017 -0.587 1.00 0.00 C ATOM 699 CE LYS A 44 16.603 -5.415 -0.448 1.00 0.00 C ATOM 700 NZ LYS A 44 18.049 -5.448 -0.786 1.00 0.00 N ATOM 0 H LYS A 44 12.076 -2.635 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 44 12.416 -3.136 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.090 -2.181 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.673 -1.923 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.445 -4.388 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.981 -4.602 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.134 -3.680 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.595 -3.325 0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.460 -5.768 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.061 -6.099 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.408 -6.418 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.183 -5.135 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.570 -4.814 -0.146 1.00 0.00 H new ATOM 714 N GLY A 45 11.510 -0.258 0.144 1.00 0.00 N ATOM 715 CA GLY A 45 11.259 1.111 0.555 1.00 0.00 C ATOM 716 C GLY A 45 12.464 2.004 0.321 1.00 0.00 C ATOM 717 O GLY A 45 12.764 2.885 1.127 1.00 0.00 O ATOM 0 H GLY A 45 10.989 -0.561 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.404 1.504 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.994 1.130 1.612 1.00 0.00 H new ATOM 721 N ILE A 46 13.168 1.765 -0.778 1.00 0.00 N ATOM 722 CA ILE A 46 14.318 2.580 -1.139 1.00 0.00 C ATOM 723 C ILE A 46 13.858 3.756 -1.985 1.00 0.00 C ATOM 724 O ILE A 46 14.341 4.879 -1.830 1.00 0.00 O ATOM 725 CB ILE A 46 15.370 1.761 -1.921 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.835 0.565 -1.085 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.557 2.638 -2.311 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.787 -0.357 -1.822 1.00 0.00 C ATOM 0 H ILE A 46 12.962 1.012 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 46 14.783 2.937 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 46 14.910 1.389 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.323 0.931 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.963 -0.006 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.285 2.041 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.212 3.459 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.023 3.041 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.074 -1.181 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.295 -0.753 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.677 0.199 -2.117 1.00 0.00 H new ATOM 740 N ALA A 47 12.907 3.490 -2.870 1.00 0.00 N ATOM 741 CA ALA A 47 12.360 4.513 -3.742 1.00 0.00 C ATOM 742 C ALA A 47 10.917 4.191 -4.087 1.00 0.00 C ATOM 743 O ALA A 47 10.535 3.024 -4.171 1.00 0.00 O ATOM 744 CB ALA A 47 13.194 4.634 -5.009 1.00 0.00 C ATOM 0 H ALA A 47 12.497 2.565 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 47 12.389 5.469 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.770 5.406 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.217 4.902 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.193 3.681 -5.538 1.00 0.00 H new ATOM 750 N ILE A 48 10.120 5.228 -4.264 1.00 0.00 N ATOM 751 CA ILE A 48 8.739 5.064 -4.675 1.00 0.00 C ATOM 752 C ILE A 48 8.619 5.331 -6.167 1.00 0.00 C ATOM 753 O ILE A 48 9.079 6.366 -6.657 1.00 0.00 O ATOM 754 CB ILE A 48 7.794 6.003 -3.890 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.792 5.628 -2.406 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.376 5.950 -4.452 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.037 6.604 -1.528 1.00 0.00 C ATOM 0 H ILE A 48 10.407 6.197 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 48 8.439 4.039 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 48 8.161 7.024 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.353 4.637 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.822 5.562 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.733 6.620 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.387 6.261 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.994 4.932 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.081 6.270 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.489 7.592 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.997 6.653 -1.850 1.00 0.00 H new ATOM 769 N PRO A 49 8.026 4.387 -6.908 1.00 0.00 N ATOM 770 CA PRO A 49 7.863 4.497 -8.359 1.00 0.00 C ATOM 771 C PRO A 49 6.875 5.586 -8.757 1.00 0.00 C ATOM 772 O PRO A 49 6.226 6.203 -7.907 1.00 0.00 O ATOM 773 CB PRO A 49 7.322 3.123 -8.759 1.00 0.00 C ATOM 774 CG PRO A 49 6.637 2.623 -7.536 1.00 0.00 C ATOM 775 CD PRO A 49 7.459 3.132 -6.384 1.00 0.00 C ATOM 0 HA PRO A 49 8.798 4.768 -8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.631 3.197 -9.599 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.126 2.454 -9.066 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.612 2.991 -7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.585 1.534 -7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.848 3.305 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.238 2.425 -6.101 1.00 0.00 H new ATOM 783 N ARG A 50 6.764 5.818 -10.053 1.00 0.00 N ATOM 784 CA ARG A 50 5.846 6.815 -10.572 1.00 0.00 C ATOM 785 C ARG A 50 4.416 6.281 -10.519 1.00 0.00 C ATOM 786 O ARG A 50 4.198 5.066 -10.554 1.00 0.00 O ATOM 787 CB ARG A 50 6.250 7.186 -11.996 1.00 0.00 C ATOM 788 CG ARG A 50 5.567 8.432 -12.532 1.00 0.00 C ATOM 789 CD ARG A 50 6.335 9.003 -13.711 1.00 0.00 C ATOM 790 NE ARG A 50 7.712 9.334 -13.348 1.00 0.00 N ATOM 791 CZ ARG A 50 8.659 9.660 -14.221 1.00 0.00 C ATOM 792 NH1 ARG A 50 8.380 9.706 -15.518 1.00 0.00 N ATOM 793 NH2 ARG A 50 9.883 9.942 -13.801 1.00 0.00 N ATOM 0 H ARG A 50 7.301 5.327 -10.768 1.00 0.00 H new ATOM 0 HA ARG A 50 5.890 7.715 -9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.329 7.334 -12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.023 6.349 -12.656 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.549 8.191 -12.838 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.494 9.180 -11.743 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.337 8.282 -14.528 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.830 9.897 -14.076 1.00 0.00 H new ATOM 0 HE ARG A 50 7.962 9.313 -12.359 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.438 9.491 -15.845 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.108 9.956 -16.188 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.101 9.909 -12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.608 10.192 -14.474 1.00 0.00 H new ATOM 807 N MET A 51 3.453 7.196 -10.429 1.00 0.00 N ATOM 808 CA MET A 51 2.039 6.850 -10.253 1.00 0.00 C ATOM 809 C MET A 51 1.557 5.821 -11.272 1.00 0.00 C ATOM 810 O MET A 51 0.666 5.024 -10.975 1.00 0.00 O ATOM 811 CB MET A 51 1.164 8.104 -10.344 1.00 0.00 C ATOM 812 CG MET A 51 1.419 9.127 -9.245 1.00 0.00 C ATOM 813 SD MET A 51 3.028 9.936 -9.390 1.00 0.00 S ATOM 814 CE MET A 51 3.013 10.984 -7.939 1.00 0.00 C ATOM 0 H MET A 51 3.628 8.200 -10.476 1.00 0.00 H new ATOM 0 HA MET A 51 1.949 6.405 -9.262 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.329 8.579 -11.311 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.116 7.805 -10.310 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.635 9.884 -9.272 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.353 8.634 -8.275 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.944 11.549 -7.889 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.172 11.674 -7.998 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.915 10.367 -7.046 1.00 0.00 H new ATOM 824 N GLY A 52 2.151 5.843 -12.462 1.00 0.00 N ATOM 825 CA GLY A 52 1.781 4.907 -13.512 1.00 0.00 C ATOM 826 C GLY A 52 1.830 3.455 -13.064 1.00 0.00 C ATOM 827 O GLY A 52 0.886 2.700 -13.297 1.00 0.00 O ATOM 0 H GLY A 52 2.889 6.498 -12.720 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.774 5.140 -13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.450 5.041 -14.362 1.00 0.00 H new ATOM 831 N LYS A 53 2.915 3.066 -12.410 1.00 0.00 N ATOM 832 CA LYS A 53 3.064 1.692 -11.948 1.00 0.00 C ATOM 833 C LYS A 53 2.488 1.516 -10.548 1.00 0.00 C ATOM 834 O LYS A 53 2.115 0.407 -10.162 1.00 0.00 O ATOM 835 CB LYS A 53 4.532 1.261 -11.988 1.00 0.00 C ATOM 836 CG LYS A 53 4.920 0.522 -13.264 1.00 0.00 C ATOM 837 CD LYS A 53 4.664 1.361 -14.508 1.00 0.00 C ATOM 838 CE LYS A 53 4.988 0.594 -15.783 1.00 0.00 C ATOM 839 NZ LYS A 53 4.096 -0.582 -15.981 1.00 0.00 N ATOM 0 H LYS A 53 3.701 3.677 -12.188 1.00 0.00 H new ATOM 0 HA LYS A 53 2.500 1.050 -12.625 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.163 2.143 -11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.736 0.620 -11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.975 0.251 -13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.355 -0.408 -13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.620 1.674 -14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.268 2.268 -14.466 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.898 1.263 -16.639 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.025 0.259 -15.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.046 -0.813 -16.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.475 -1.397 -15.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.143 -0.358 -15.630 1.00 0.00 H new ATOM 853 N VAL A 54 2.405 2.609 -9.796 1.00 0.00 N ATOM 854 CA VAL A 54 1.791 2.574 -8.473 1.00 0.00 C ATOM 855 C VAL A 54 0.317 2.192 -8.586 1.00 0.00 C ATOM 856 O VAL A 54 -0.181 1.352 -7.834 1.00 0.00 O ATOM 857 CB VAL A 54 1.914 3.934 -7.744 1.00 0.00 C ATOM 858 CG1 VAL A 54 1.193 3.899 -6.401 1.00 0.00 C ATOM 859 CG2 VAL A 54 3.375 4.306 -7.549 1.00 0.00 C ATOM 0 H VAL A 54 2.753 3.525 -10.078 1.00 0.00 H new ATOM 0 HA VAL A 54 2.325 1.825 -7.888 1.00 0.00 H new ATOM 0 HB VAL A 54 1.441 4.694 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.294 4.866 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.137 3.682 -6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.632 3.124 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.441 5.265 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.869 3.540 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.864 4.381 -8.520 1.00 0.00 H new ATOM 869 N GLN A 55 -0.368 2.797 -9.551 1.00 0.00 N ATOM 870 CA GLN A 55 -1.773 2.506 -9.787 1.00 0.00 C ATOM 871 C GLN A 55 -1.936 1.063 -10.248 1.00 0.00 C ATOM 872 O GLN A 55 -2.936 0.413 -9.951 1.00 0.00 O ATOM 873 CB GLN A 55 -2.353 3.464 -10.832 1.00 0.00 C ATOM 874 CG GLN A 55 -3.875 3.452 -10.895 1.00 0.00 C ATOM 875 CD GLN A 55 -4.516 3.986 -9.625 1.00 0.00 C ATOM 876 OE1 GLN A 55 -3.967 4.862 -8.961 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.677 3.455 -9.277 1.00 0.00 N ATOM 0 H GLN A 55 0.030 3.493 -10.182 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.318 2.644 -8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.015 4.477 -10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.955 3.202 -11.813 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.205 4.051 -11.744 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.220 2.433 -11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.100 2.729 -9.856 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.149 3.771 -8.430 1.00 0.00 H new ATOM 886 N ALA A 56 -0.941 0.567 -10.972 1.00 0.00 N ATOM 887 CA ALA A 56 -0.950 -0.813 -11.438 1.00 0.00 C ATOM 888 C ALA A 56 -0.870 -1.779 -10.261 1.00 0.00 C ATOM 889 O ALA A 56 -1.585 -2.777 -10.219 1.00 0.00 O ATOM 890 CB ALA A 56 0.195 -1.056 -12.407 1.00 0.00 C ATOM 0 H ALA A 56 -0.117 1.100 -11.249 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.889 -0.991 -11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.172 -2.092 -12.745 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.092 -0.392 -13.266 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.143 -0.858 -11.907 1.00 0.00 H new ATOM 896 N LEU A 57 0.002 -1.461 -9.305 1.00 0.00 N ATOM 897 CA LEU A 57 0.144 -2.254 -8.089 1.00 0.00 C ATOM 898 C LEU A 57 -1.177 -2.313 -7.330 1.00 0.00 C ATOM 899 O LEU A 57 -1.656 -3.393 -6.979 1.00 0.00 O ATOM 900 CB LEU A 57 1.227 -1.650 -7.190 1.00 0.00 C ATOM 901 CG LEU A 57 2.666 -1.817 -7.686 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.615 -0.950 -6.874 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.088 -3.276 -7.603 1.00 0.00 C ATOM 0 H LEU A 57 0.624 -0.654 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 57 0.433 -3.266 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.024 -0.586 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.147 -2.102 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 57 2.710 -1.498 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.633 -1.082 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.327 0.096 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.567 -1.242 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.113 -3.379 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.027 -3.614 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.426 -3.882 -8.222 1.00 0.00 H new ATOM 915 N ALA A 58 -1.767 -1.148 -7.097 1.00 0.00 N ATOM 916 CA ALA A 58 -3.025 -1.058 -6.368 1.00 0.00 C ATOM 917 C ALA A 58 -4.140 -1.805 -7.096 1.00 0.00 C ATOM 918 O ALA A 58 -4.953 -2.494 -6.477 1.00 0.00 O ATOM 919 CB ALA A 58 -3.406 0.399 -6.166 1.00 0.00 C ATOM 0 H ALA A 58 -1.393 -0.250 -7.403 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.890 -1.528 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.348 0.457 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.625 0.904 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.519 0.883 -7.136 1.00 0.00 H new ATOM 925 N ASP A 59 -4.162 -1.681 -8.412 1.00 0.00 N ATOM 926 CA ASP A 59 -5.193 -2.316 -9.225 1.00 0.00 C ATOM 927 C ASP A 59 -5.033 -3.829 -9.218 1.00 0.00 C ATOM 928 O ASP A 59 -6.016 -4.568 -9.204 1.00 0.00 O ATOM 929 CB ASP A 59 -5.129 -1.799 -10.660 1.00 0.00 C ATOM 930 CG ASP A 59 -6.261 -2.325 -11.513 1.00 0.00 C ATOM 931 OD1 ASP A 59 -7.353 -1.717 -11.498 1.00 0.00 O ATOM 932 OD2 ASP A 59 -6.066 -3.341 -12.212 1.00 0.00 O ATOM 0 H ASP A 59 -3.477 -1.145 -8.945 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.163 -2.066 -8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.159 -0.709 -10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.177 -2.088 -11.105 1.00 0.00 H new ATOM 937 N TYR A 60 -3.782 -4.272 -9.210 1.00 0.00 N ATOM 938 CA TYR A 60 -3.463 -5.694 -9.200 1.00 0.00 C ATOM 939 C TYR A 60 -4.020 -6.366 -7.950 1.00 0.00 C ATOM 940 O TYR A 60 -4.521 -7.491 -8.005 1.00 0.00 O ATOM 941 CB TYR A 60 -1.946 -5.888 -9.267 1.00 0.00 C ATOM 942 CG TYR A 60 -1.518 -7.331 -9.384 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.767 -8.057 -10.543 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.860 -7.968 -8.339 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.374 -9.376 -10.655 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.463 -9.286 -8.445 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.723 -9.984 -9.604 1.00 0.00 C ATOM 948 OH TYR A 60 -0.327 -11.298 -9.715 1.00 0.00 O ATOM 0 H TYR A 60 -2.965 -3.661 -9.210 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.924 -6.157 -10.072 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.556 -5.333 -10.120 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.495 -5.457 -8.373 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.276 -7.582 -11.369 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.656 -7.423 -7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.576 -9.928 -11.561 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.048 -9.767 -7.624 1.00 0.00 H new ATOM 0 HH TYR A 60 0.119 -11.576 -8.888 1.00 0.00 H new ATOM 958 N PHE A 61 -3.940 -5.667 -6.828 1.00 0.00 N ATOM 959 CA PHE A 61 -4.439 -6.196 -5.564 1.00 0.00 C ATOM 960 C PHE A 61 -5.899 -5.812 -5.356 1.00 0.00 C ATOM 961 O PHE A 61 -6.491 -6.121 -4.320 1.00 0.00 O ATOM 962 CB PHE A 61 -3.596 -5.683 -4.400 1.00 0.00 C ATOM 963 CG PHE A 61 -2.179 -6.189 -4.403 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.906 -7.531 -4.181 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.120 -5.323 -4.622 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.604 -7.997 -4.178 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.184 -5.785 -4.618 1.00 0.00 C ATOM 968 CZ PHE A 61 0.442 -7.123 -4.396 1.00 0.00 C ATOM 0 H PHE A 61 -3.535 -4.733 -6.765 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.366 -7.283 -5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.582 -4.593 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.073 -5.973 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.720 -8.220 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.315 -4.275 -4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.406 -9.044 -4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.000 -5.099 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.460 -7.485 -4.393 1.00 0.00 H new ATOM 978 N ASN A 62 -6.468 -5.150 -6.360 1.00 0.00 N ATOM 979 CA ASN A 62 -7.842 -4.664 -6.321 1.00 0.00 C ATOM 980 C ASN A 62 -8.090 -3.797 -5.093 1.00 0.00 C ATOM 981 O ASN A 62 -9.071 -3.972 -4.368 1.00 0.00 O ATOM 982 CB ASN A 62 -8.839 -5.822 -6.374 1.00 0.00 C ATOM 983 CG ASN A 62 -8.822 -6.525 -7.716 1.00 0.00 C ATOM 984 OD1 ASN A 62 -9.473 -6.087 -8.663 1.00 0.00 O ATOM 985 ND2 ASN A 62 -8.098 -7.628 -7.802 1.00 0.00 N ATOM 0 H ASN A 62 -5.983 -4.934 -7.231 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.993 -4.045 -7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.605 -6.538 -5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.842 -5.446 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.065 -8.149 -8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.572 -7.957 -6.992 1.00 0.00 H new ATOM 992 N ILE A 63 -7.183 -2.862 -4.874 1.00 0.00 N ATOM 993 CA ILE A 63 -7.307 -1.894 -3.799 1.00 0.00 C ATOM 994 C ILE A 63 -7.263 -0.489 -4.382 1.00 0.00 C ATOM 995 O ILE A 63 -7.287 -0.321 -5.603 1.00 0.00 O ATOM 996 CB ILE A 63 -6.183 -2.059 -2.751 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.807 -1.979 -3.421 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.345 -3.373 -2.002 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.648 -2.165 -2.467 1.00 0.00 C ATOM 0 H ILE A 63 -6.339 -2.752 -5.437 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.259 -2.063 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.257 -1.244 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.749 -2.739 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.709 -1.011 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.546 -3.474 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.309 -3.385 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.297 -4.202 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.709 -2.095 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.679 -1.390 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.719 -3.145 -1.994 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.205 0.514 -3.528 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.114 1.886 -3.991 1.00 0.00 C ATOM 1013 C ASN A 64 -5.677 2.364 -3.867 1.00 0.00 C ATOM 1014 O ASN A 64 -4.892 1.779 -3.121 1.00 0.00 O ATOM 1015 CB ASN A 64 -8.047 2.793 -3.183 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.507 2.416 -3.343 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.040 1.603 -2.588 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -10.171 3.010 -4.319 1.00 0.00 N ATOM 0 H ASN A 64 -7.219 0.406 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.422 1.930 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.775 2.741 -2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.906 3.827 -3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.158 2.800 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.696 3.679 -4.925 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.327 3.417 -4.595 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.987 3.986 -4.503 1.00 0.00 C ATOM 1027 C LYS A 65 -3.708 4.407 -3.065 1.00 0.00 C ATOM 1028 O LYS A 65 -2.575 4.346 -2.591 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.836 5.189 -5.444 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.719 6.376 -5.080 1.00 0.00 C ATOM 1031 CD LYS A 65 -4.400 7.607 -5.919 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.759 7.417 -7.385 1.00 0.00 C ATOM 1033 NZ LYS A 65 -4.446 8.627 -8.189 1.00 0.00 N ATOM 0 H LYS A 65 -5.947 3.892 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.265 3.227 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.794 5.510 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.070 4.873 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.766 6.105 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.589 6.614 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.944 8.465 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.338 7.836 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.213 6.563 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.821 7.186 -7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.704 8.460 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.986 9.437 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.428 8.832 -8.126 1.00 0.00 H new ATOM 1047 N SER A 66 -4.774 4.796 -2.374 1.00 0.00 N ATOM 1048 CA SER A 66 -4.695 5.269 -1.002 1.00 0.00 C ATOM 1049 C SER A 66 -4.124 4.198 -0.077 1.00 0.00 C ATOM 1050 O SER A 66 -3.485 4.515 0.920 1.00 0.00 O ATOM 1051 CB SER A 66 -6.090 5.663 -0.528 1.00 0.00 C ATOM 1052 OG SER A 66 -6.770 6.398 -1.532 1.00 0.00 O ATOM 0 H SER A 66 -5.720 4.791 -2.754 1.00 0.00 H new ATOM 0 HA SER A 66 -4.028 6.131 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.660 4.769 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.016 6.261 0.380 1.00 0.00 H new ATOM 0 HG SER A 66 -7.664 6.641 -1.211 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.347 2.934 -0.422 1.00 0.00 N ATOM 1059 CA ASP A 67 -3.841 1.823 0.381 1.00 0.00 C ATOM 1060 C ASP A 67 -2.318 1.820 0.400 1.00 0.00 C ATOM 1061 O ASP A 67 -1.695 1.352 1.351 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.349 0.480 -0.159 1.00 0.00 C ATOM 1063 CG ASP A 67 -5.805 0.214 0.179 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.070 -0.338 1.266 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -6.690 0.540 -0.646 1.00 0.00 O ATOM 0 H ASP A 67 -4.873 2.652 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.210 1.957 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.224 0.460 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.735 -0.324 0.248 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.723 2.330 -0.670 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.275 2.394 -0.782 1.00 0.00 C ATOM 1072 C LEU A 68 0.259 3.753 -0.335 1.00 0.00 C ATOM 1073 O LEU A 68 1.434 3.880 0.005 1.00 0.00 O ATOM 1074 CB LEU A 68 0.150 2.104 -2.225 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.242 0.722 -2.752 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.203 0.563 -4.197 1.00 0.00 C ATOM 1077 CD2 LEU A 68 0.362 -0.375 -1.883 1.00 0.00 C ATOM 0 H LEU A 68 -2.224 2.706 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 68 0.150 1.637 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.288 2.861 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.233 2.209 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.327 0.631 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.082 -0.425 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.275 1.326 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.286 0.673 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.072 -1.350 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.449 -0.289 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.002 -0.271 -0.861 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.599 4.769 -0.334 1.00 0.00 N ATOM 1090 CA ILE A 69 -0.155 6.132 -0.044 1.00 0.00 C ATOM 1091 C ILE A 69 -0.395 6.507 1.418 1.00 0.00 C ATOM 1092 O ILE A 69 0.415 7.207 2.028 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.854 7.175 -0.947 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.791 6.744 -2.413 1.00 0.00 C ATOM 1095 CG2 ILE A 69 -0.200 8.540 -0.773 1.00 0.00 C ATOM 1096 CD1 ILE A 69 -1.451 7.720 -3.366 1.00 0.00 C ATOM 0 H ILE A 69 -1.596 4.678 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 69 0.916 6.146 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.901 7.243 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.253 6.619 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.269 5.770 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.700 9.267 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.284 8.854 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.853 8.477 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.366 7.346 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.504 7.827 -3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.958 8.690 -3.293 1.00 0.00 H new ATOM 1108 N GLU A 70 -1.513 6.067 1.978 1.00 0.00 N ATOM 1109 CA GLU A 70 -1.828 6.372 3.362 1.00 0.00 C ATOM 1110 C GLU A 70 -1.077 5.444 4.302 1.00 0.00 C ATOM 1111 O GLU A 70 -0.682 4.342 3.929 1.00 0.00 O ATOM 1112 CB GLU A 70 -3.330 6.266 3.612 1.00 0.00 C ATOM 1113 CG GLU A 70 -4.092 7.578 3.442 1.00 0.00 C ATOM 1114 CD GLU A 70 -4.024 8.157 2.041 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -3.026 8.833 1.717 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -4.988 7.974 1.268 1.00 0.00 O ATOM 0 H GLU A 70 -2.212 5.501 1.497 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.514 7.397 3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.748 5.526 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.492 5.894 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.137 7.416 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.695 8.310 4.146 1.00 0.00 H new ATOM 1123 N ASP A 71 -0.910 5.899 5.527 1.00 0.00 N ATOM 1124 CA ASP A 71 -0.134 5.176 6.524 1.00 0.00 C ATOM 1125 C ASP A 71 -0.997 4.108 7.190 1.00 0.00 C ATOM 1126 O ASP A 71 -2.225 4.205 7.189 1.00 0.00 O ATOM 1127 CB ASP A 71 0.414 6.161 7.562 1.00 0.00 C ATOM 1128 CG ASP A 71 1.292 5.499 8.604 1.00 0.00 C ATOM 1129 OD1 ASP A 71 2.510 5.365 8.370 1.00 0.00 O ATOM 1130 OD2 ASP A 71 0.768 5.132 9.672 1.00 0.00 O ATOM 0 H ASP A 71 -1.305 6.777 5.863 1.00 0.00 H new ATOM 0 HA ASP A 71 0.705 4.678 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.987 6.936 7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.420 6.656 8.060 1.00 0.00 H new ATOM 1135 N LYS A 72 -0.354 3.100 7.770 1.00 0.00 N ATOM 1136 CA LYS A 72 -1.070 1.961 8.341 1.00 0.00 C ATOM 1137 C LYS A 72 -1.600 2.247 9.750 1.00 0.00 C ATOM 1138 O LYS A 72 -2.100 1.348 10.426 1.00 0.00 O ATOM 1139 CB LYS A 72 -0.180 0.703 8.334 1.00 0.00 C ATOM 1140 CG LYS A 72 1.275 0.930 8.746 1.00 0.00 C ATOM 1141 CD LYS A 72 1.425 1.287 10.221 1.00 0.00 C ATOM 1142 CE LYS A 72 0.897 0.191 11.138 1.00 0.00 C ATOM 1143 NZ LYS A 72 1.591 -1.110 10.931 1.00 0.00 N ATOM 0 H LYS A 72 0.661 3.047 7.858 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.940 1.781 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.619 -0.036 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.194 0.274 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.852 0.030 8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.699 1.730 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.477 1.468 10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.891 2.216 10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.016 0.502 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.171 0.061 10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.293 -1.783 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.346 -1.489 9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.620 -0.968 10.988 1.00 0.00 H new ATOM 1157 N LYS A 73 -1.514 3.496 10.186 1.00 0.00 N ATOM 1158 CA LYS A 73 -2.053 3.896 11.478 1.00 0.00 C ATOM 1159 C LYS A 73 -3.542 4.203 11.343 1.00 0.00 C ATOM 1160 O LYS A 73 -4.069 5.164 11.910 1.00 0.00 O ATOM 1161 CB LYS A 73 -1.286 5.113 11.989 1.00 0.00 C ATOM 1162 CG LYS A 73 -1.456 5.365 13.478 1.00 0.00 C ATOM 1163 CD LYS A 73 -0.553 6.487 13.983 1.00 0.00 C ATOM 1164 CE LYS A 73 -1.180 7.870 13.833 1.00 0.00 C ATOM 1165 NZ LYS A 73 -1.373 8.264 12.414 1.00 0.00 N ATOM 0 H LYS A 73 -1.074 4.252 9.662 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.938 3.085 12.197 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.226 4.980 11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.616 5.995 11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.496 5.618 13.685 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.235 4.449 14.027 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.318 6.312 15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.390 6.461 13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.143 7.885 14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.546 8.607 14.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.354 9.301 12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.610 7.859 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.290 7.908 12.077 1.00 0.00 H new ATOM 1179 N LEU A 74 -4.213 3.353 10.592 1.00 0.00 N ATOM 1180 CA LEU A 74 -5.620 3.502 10.307 1.00 0.00 C ATOM 1181 C LEU A 74 -6.468 3.001 11.468 1.00 0.00 C ATOM 1182 O LEU A 74 -6.933 1.860 11.477 1.00 0.00 O ATOM 1183 CB LEU A 74 -5.979 2.748 9.027 1.00 0.00 C ATOM 1184 CG LEU A 74 -5.333 3.288 7.747 1.00 0.00 C ATOM 1185 CD1 LEU A 74 -5.707 2.417 6.558 1.00 0.00 C ATOM 1186 CD2 LEU A 74 -5.750 4.734 7.506 1.00 0.00 C ATOM 0 H LEU A 74 -3.790 2.532 10.159 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.830 4.562 10.167 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.691 1.704 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.062 2.768 8.904 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.250 3.261 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.241 2.813 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.359 1.398 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.790 2.414 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.281 5.100 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.834 4.788 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.433 5.349 8.348 1.00 0.00 H new ATOM 1198 N ASN A 75 -6.622 3.846 12.467 1.00 0.00 N ATOM 1199 CA ASN A 75 -7.537 3.582 13.559 1.00 0.00 C ATOM 1200 C ASN A 75 -8.615 4.648 13.540 1.00 0.00 C ATOM 1201 O ASN A 75 -8.318 5.827 13.324 1.00 0.00 O ATOM 1202 CB ASN A 75 -6.808 3.562 14.909 1.00 0.00 C ATOM 1203 CG ASN A 75 -7.701 3.093 16.046 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -8.292 3.895 16.771 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -7.825 1.782 16.189 1.00 0.00 N ATOM 0 H ASN A 75 -6.120 4.730 12.545 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.984 2.596 13.431 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.940 2.907 14.840 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.436 4.562 15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.427 1.403 16.920 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.318 1.151 15.568 1.00 0.00 H new ATOM 1212 N ILE A 76 -9.857 4.233 13.723 1.00 0.00 N ATOM 1213 CA ILE A 76 -10.985 5.149 13.623 1.00 0.00 C ATOM 1214 C ILE A 76 -10.872 6.276 14.634 1.00 0.00 C ATOM 1215 O ILE A 76 -10.805 6.053 15.843 1.00 0.00 O ATOM 1216 CB ILE A 76 -12.342 4.447 13.807 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -12.521 3.345 12.759 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -13.479 5.458 13.720 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -13.895 2.712 12.770 1.00 0.00 C ATOM 0 H ILE A 76 -10.112 3.270 13.941 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.946 5.555 12.612 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.364 3.988 14.795 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.331 3.762 11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.773 2.571 12.928 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.432 4.946 13.852 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.359 6.209 14.501 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.460 5.944 12.744 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.947 1.941 12.001 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.081 2.264 13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.648 3.474 12.571 1.00 0.00 H new ATOM 1231 N ASP A 77 -10.862 7.477 14.107 1.00 0.00 N ATOM 1232 CA ASP A 77 -10.776 8.685 14.891 1.00 0.00 C ATOM 1233 C ASP A 77 -11.460 9.777 14.102 1.00 0.00 C ATOM 1234 O ASP A 77 -11.014 10.124 13.010 1.00 0.00 O ATOM 1235 CB ASP A 77 -9.323 9.060 15.178 1.00 0.00 C ATOM 1236 CG ASP A 77 -9.209 10.094 16.277 1.00 0.00 C ATOM 1237 OD1 ASP A 77 -9.244 9.704 17.463 1.00 0.00 O ATOM 1238 OD2 ASP A 77 -9.104 11.298 15.968 1.00 0.00 O ATOM 0 H ASP A 77 -10.914 7.645 13.102 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.259 8.541 15.857 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.768 8.166 15.463 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.862 9.446 14.269 1.00 0.00 H new ATOM 1243 N THR A 78 -12.558 10.263 14.645 1.00 0.00 N ATOM 1244 CA THR A 78 -13.471 11.152 13.933 1.00 0.00 C ATOM 1245 C THR A 78 -12.764 12.288 13.193 1.00 0.00 C ATOM 1246 O THR A 78 -12.241 13.232 13.793 1.00 0.00 O ATOM 1247 CB THR A 78 -14.502 11.754 14.891 1.00 0.00 C ATOM 1248 OG1 THR A 78 -15.003 10.732 15.770 1.00 0.00 O ATOM 1249 CG2 THR A 78 -15.656 12.373 14.117 1.00 0.00 C ATOM 0 H THR A 78 -12.849 10.054 15.600 1.00 0.00 H new ATOM 0 HA THR A 78 -13.962 10.527 13.187 1.00 0.00 H new ATOM 0 HB THR A 78 -14.017 12.534 15.477 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.661 11.121 16.383 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.378 12.795 14.816 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.277 13.161 13.467 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.142 11.607 13.513 1.00 0.00 H new ATOM 1257 N VAL A 79 -12.758 12.161 11.879 1.00 0.00 N ATOM 1258 CA VAL A 79 -12.265 13.190 10.972 1.00 0.00 C ATOM 1259 C VAL A 79 -13.251 13.303 9.818 1.00 0.00 C ATOM 1260 O VAL A 79 -13.111 12.598 8.823 1.00 0.00 O ATOM 1261 CB VAL A 79 -10.850 12.880 10.417 1.00 0.00 C ATOM 1262 CG1 VAL A 79 -10.383 13.986 9.481 1.00 0.00 C ATOM 1263 CG2 VAL A 79 -9.847 12.691 11.543 1.00 0.00 C ATOM 0 H VAL A 79 -13.100 11.328 11.401 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.182 14.125 11.527 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.913 11.948 9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.389 13.748 9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.077 14.072 8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.348 14.931 10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.865 12.475 11.123 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.794 13.602 12.140 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.162 11.861 12.175 1.00 0.00 H new ATOM 1273 N PRO A 80 -14.293 14.146 9.987 1.00 0.00 N ATOM 1274 CA PRO A 80 -15.464 14.231 9.090 1.00 0.00 C ATOM 1275 C PRO A 80 -15.157 14.089 7.595 1.00 0.00 C ATOM 1276 O PRO A 80 -14.978 15.079 6.886 1.00 0.00 O ATOM 1277 CB PRO A 80 -16.015 15.617 9.394 1.00 0.00 C ATOM 1278 CG PRO A 80 -15.711 15.821 10.836 1.00 0.00 C ATOM 1279 CD PRO A 80 -14.402 15.120 11.095 1.00 0.00 C ATOM 0 HA PRO A 80 -16.150 13.404 9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -15.541 16.379 8.775 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.086 15.671 9.201 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.637 16.883 11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.503 15.410 11.462 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.567 15.821 11.094 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.400 14.623 12.065 1.00 0.00 H new ATOM 1287 N ILE A 81 -15.122 12.837 7.143 1.00 0.00 N ATOM 1288 CA ILE A 81 -14.870 12.473 5.752 1.00 0.00 C ATOM 1289 C ILE A 81 -15.559 11.135 5.489 1.00 0.00 C ATOM 1290 O ILE A 81 -15.649 10.302 6.394 1.00 0.00 O ATOM 1291 CB ILE A 81 -13.348 12.336 5.445 1.00 0.00 C ATOM 1292 CG1 ILE A 81 -12.633 13.693 5.520 1.00 0.00 C ATOM 1293 CG2 ILE A 81 -13.110 11.699 4.079 1.00 0.00 C ATOM 1294 CD1 ILE A 81 -13.047 14.672 4.438 1.00 0.00 C ATOM 0 H ILE A 81 -15.272 12.030 7.748 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.259 13.261 5.108 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.930 11.683 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.828 14.141 6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.557 13.529 5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.038 11.618 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.557 10.705 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.564 12.318 3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -12.497 15.605 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.826 14.247 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -14.116 14.869 4.515 1.00 0.00 H new ATOM 1306 N GLU A 82 -16.062 10.929 4.284 1.00 0.00 N ATOM 1307 CA GLU A 82 -16.735 9.683 3.956 1.00 0.00 C ATOM 1308 C GLU A 82 -15.715 8.570 3.734 1.00 0.00 C ATOM 1309 O GLU A 82 -15.204 8.385 2.627 1.00 0.00 O ATOM 1310 CB GLU A 82 -17.613 9.853 2.720 1.00 0.00 C ATOM 1311 CG GLU A 82 -18.495 8.650 2.427 1.00 0.00 C ATOM 1312 CD GLU A 82 -19.357 8.847 1.201 1.00 0.00 C ATOM 1313 OE1 GLU A 82 -20.402 9.525 1.306 1.00 0.00 O ATOM 1314 OE2 GLU A 82 -18.993 8.333 0.123 1.00 0.00 O ATOM 0 H GLU A 82 -16.018 11.604 3.520 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.374 9.408 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -18.244 10.732 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.976 10.045 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.868 7.769 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.134 8.454 3.288 1.00 0.00 H new ATOM 1321 N SER A 83 -15.399 7.861 4.804 1.00 0.00 N ATOM 1322 CA SER A 83 -14.477 6.744 4.739 1.00 0.00 C ATOM 1323 C SER A 83 -15.247 5.425 4.739 1.00 0.00 C ATOM 1324 O SER A 83 -15.778 5.008 5.771 1.00 0.00 O ATOM 1325 CB SER A 83 -13.505 6.802 5.921 1.00 0.00 C ATOM 1326 OG SER A 83 -14.199 7.001 7.144 1.00 0.00 O ATOM 0 H SER A 83 -15.772 8.043 5.736 1.00 0.00 H new ATOM 0 HA SER A 83 -13.904 6.807 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.932 5.876 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.790 7.611 5.769 1.00 0.00 H new ATOM 0 HG SER A 83 -14.991 6.424 7.169 1.00 0.00 H new ATOM 1332 N GLY A 84 -15.314 4.782 3.576 1.00 0.00 N ATOM 1333 CA GLY A 84 -16.046 3.531 3.447 1.00 0.00 C ATOM 1334 C GLY A 84 -15.227 2.324 3.866 1.00 0.00 C ATOM 1335 O GLY A 84 -15.022 1.400 3.079 1.00 0.00 O ATOM 0 H GLY A 84 -14.872 5.106 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.950 3.580 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.364 3.407 2.412 1.00 0.00 H new ATOM 1339 N TYR A 85 -14.742 2.351 5.101 1.00 0.00 N ATOM 1340 CA TYR A 85 -14.002 1.238 5.680 1.00 0.00 C ATOM 1341 C TYR A 85 -13.974 1.355 7.203 1.00 0.00 C ATOM 1342 O TYR A 85 -13.452 2.322 7.760 1.00 0.00 O ATOM 1343 CB TYR A 85 -12.577 1.141 5.101 1.00 0.00 C ATOM 1344 CG TYR A 85 -11.812 2.451 5.032 1.00 0.00 C ATOM 1345 CD1 TYR A 85 -11.918 3.282 3.921 1.00 0.00 C ATOM 1346 CD2 TYR A 85 -10.972 2.848 6.065 1.00 0.00 C ATOM 1347 CE1 TYR A 85 -11.214 4.468 3.844 1.00 0.00 C ATOM 1348 CE2 TYR A 85 -10.266 4.036 5.998 1.00 0.00 C ATOM 1349 CZ TYR A 85 -10.390 4.842 4.885 1.00 0.00 C ATOM 1350 OH TYR A 85 -9.689 6.024 4.810 1.00 0.00 O ATOM 0 H TYR A 85 -14.851 3.147 5.730 1.00 0.00 H new ATOM 0 HA TYR A 85 -14.518 0.315 5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.005 0.437 5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -12.639 0.722 4.096 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.563 2.994 3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.868 2.218 6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.308 5.099 2.973 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.621 4.331 6.813 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.156 6.141 5.624 1.00 0.00 H new ATOM 1360 N THR A 86 -14.557 0.374 7.868 1.00 0.00 N ATOM 1361 CA THR A 86 -14.664 0.391 9.316 1.00 0.00 C ATOM 1362 C THR A 86 -13.644 -0.549 9.955 1.00 0.00 C ATOM 1363 O THR A 86 -13.710 -1.766 9.781 1.00 0.00 O ATOM 1364 CB THR A 86 -16.083 -0.014 9.767 1.00 0.00 C ATOM 1365 OG1 THR A 86 -17.060 0.749 9.047 1.00 0.00 O ATOM 1366 CG2 THR A 86 -16.266 0.207 11.263 1.00 0.00 C ATOM 0 H THR A 86 -14.966 -0.449 7.425 1.00 0.00 H new ATOM 0 HA THR A 86 -14.460 1.410 9.644 1.00 0.00 H new ATOM 0 HB THR A 86 -16.216 -1.075 9.555 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.959 0.486 9.336 1.00 0.00 H new ATOM 0 HG21 THR A 86 -17.275 -0.087 11.553 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.541 -0.395 11.811 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.113 1.261 11.496 1.00 0.00 H new ATOM 1374 N LEU A 87 -12.689 0.026 10.677 1.00 0.00 N ATOM 1375 CA LEU A 87 -11.701 -0.762 11.404 1.00 0.00 C ATOM 1376 C LEU A 87 -12.270 -1.192 12.752 1.00 0.00 C ATOM 1377 O LEU A 87 -12.270 -2.378 13.082 1.00 0.00 O ATOM 1378 CB LEU A 87 -10.401 0.032 11.617 1.00 0.00 C ATOM 1379 CG LEU A 87 -9.568 0.320 10.356 1.00 0.00 C ATOM 1380 CD1 LEU A 87 -9.357 -0.950 9.544 1.00 0.00 C ATOM 1381 CD2 LEU A 87 -10.210 1.407 9.503 1.00 0.00 C ATOM 0 H LEU A 87 -12.578 1.035 10.774 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.467 -1.644 10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.653 0.983 12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.776 -0.516 12.323 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.593 0.684 10.680 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.766 -0.721 8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.831 -1.687 10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.323 -1.353 9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.597 1.586 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.205 1.087 9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.288 2.326 10.083 1.00 0.00 H new ATOM 1393 N GLU A 88 -12.764 -0.206 13.506 1.00 0.00 N ATOM 1394 CA GLU A 88 -13.387 -0.424 14.816 1.00 0.00 C ATOM 1395 C GLU A 88 -12.353 -0.847 15.861 1.00 0.00 C ATOM 1396 O GLU A 88 -11.300 -1.388 15.522 1.00 0.00 O ATOM 1397 CB GLU A 88 -14.499 -1.478 14.726 1.00 0.00 C ATOM 1398 CG GLU A 88 -15.343 -1.595 15.986 1.00 0.00 C ATOM 1399 CD GLU A 88 -16.173 -2.859 16.012 1.00 0.00 C ATOM 1400 OE1 GLU A 88 -17.076 -3.003 15.163 1.00 0.00 O ATOM 1401 OE2 GLU A 88 -15.916 -3.725 16.876 1.00 0.00 O ATOM 0 H GLU A 88 -12.743 0.774 13.223 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.825 0.524 15.129 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.150 -1.234 13.886 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.050 -2.448 14.510 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.691 -1.574 16.859 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.002 -0.730 16.060 1.00 0.00 H new ATOM 1408 N HIS A 89 -12.663 -0.564 17.129 1.00 0.00 N ATOM 1409 CA HIS A 89 -11.873 -1.029 18.267 1.00 0.00 C ATOM 1410 C HIS A 89 -10.560 -0.258 18.398 1.00 0.00 C ATOM 1411 O HIS A 89 -9.665 -0.374 17.562 1.00 0.00 O ATOM 1412 CB HIS A 89 -11.609 -2.536 18.153 1.00 0.00 C ATOM 1413 CG HIS A 89 -10.970 -3.139 19.363 1.00 0.00 C ATOM 1414 ND1 HIS A 89 -9.662 -3.571 19.388 1.00 0.00 N ATOM 1415 CD2 HIS A 89 -11.476 -3.407 20.586 1.00 0.00 C ATOM 1416 CE1 HIS A 89 -9.393 -4.081 20.575 1.00 0.00 C ATOM 1417 NE2 HIS A 89 -10.478 -3.994 21.322 1.00 0.00 N ATOM 0 H HIS A 89 -13.473 -0.003 17.394 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.451 -0.841 19.172 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.553 -3.046 17.962 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.969 -2.717 17.289 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.481 -3.198 20.923 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.446 -4.499 20.883 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.561 -4.311 22.288 1.00 0.00 H new ATOM 1426 N HIS A 90 -10.447 0.522 19.463 1.00 0.00 N ATOM 1427 CA HIS A 90 -9.260 1.332 19.684 1.00 0.00 C ATOM 1428 C HIS A 90 -8.133 0.478 20.262 1.00 0.00 C ATOM 1429 O HIS A 90 -7.167 0.171 19.567 1.00 0.00 O ATOM 1430 CB HIS A 90 -9.582 2.512 20.604 1.00 0.00 C ATOM 1431 CG HIS A 90 -8.466 3.506 20.729 1.00 0.00 C ATOM 1432 ND1 HIS A 90 -8.190 4.449 19.761 1.00 0.00 N ATOM 1433 CD2 HIS A 90 -7.560 3.704 21.714 1.00 0.00 C ATOM 1434 CE1 HIS A 90 -7.165 5.181 20.145 1.00 0.00 C ATOM 1435 NE2 HIS A 90 -6.763 4.750 21.326 1.00 0.00 N ATOM 0 H HIS A 90 -11.161 0.611 20.186 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.926 1.731 18.727 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -10.469 3.022 20.228 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.829 2.131 21.595 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -8.700 4.562 18.885 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.480 3.143 22.634 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -6.727 5.996 19.588 1.00 0.00 H new ATOM 1444 N HIS A 91 -8.256 0.078 21.523 1.00 0.00 N ATOM 1445 CA HIS A 91 -7.245 -0.777 22.136 1.00 0.00 C ATOM 1446 C HIS A 91 -7.804 -1.491 23.368 1.00 0.00 C ATOM 1447 O HIS A 91 -8.508 -2.489 23.237 1.00 0.00 O ATOM 1448 CB HIS A 91 -5.985 0.037 22.491 1.00 0.00 C ATOM 1449 CG HIS A 91 -4.824 -0.793 22.963 1.00 0.00 C ATOM 1450 ND1 HIS A 91 -3.929 -0.361 23.917 1.00 0.00 N ATOM 1451 CD2 HIS A 91 -4.412 -2.030 22.598 1.00 0.00 C ATOM 1452 CE1 HIS A 91 -3.020 -1.296 24.118 1.00 0.00 C ATOM 1453 NE2 HIS A 91 -3.289 -2.318 23.330 1.00 0.00 N ATOM 0 H HIS A 91 -9.034 0.327 22.134 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.961 -1.540 21.411 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -5.676 0.607 21.615 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.240 0.759 23.267 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -4.881 -2.671 21.866 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.194 -1.234 24.812 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.750 -3.182 23.274 1.00 0.00 H new ATOM 1462 N HIS A 92 -7.516 -0.950 24.549 1.00 0.00 N ATOM 1463 CA HIS A 92 -7.874 -1.567 25.831 1.00 0.00 C ATOM 1464 C HIS A 92 -7.535 -0.599 26.956 1.00 0.00 C ATOM 1465 O HIS A 92 -7.388 0.603 26.721 1.00 0.00 O ATOM 1466 CB HIS A 92 -7.101 -2.877 26.065 1.00 0.00 C ATOM 1467 CG HIS A 92 -7.753 -4.112 25.517 1.00 0.00 C ATOM 1468 ND1 HIS A 92 -7.108 -4.987 24.670 1.00 0.00 N ATOM 1469 CD2 HIS A 92 -8.986 -4.638 25.726 1.00 0.00 C ATOM 1470 CE1 HIS A 92 -7.910 -5.993 24.384 1.00 0.00 C ATOM 1471 NE2 HIS A 92 -9.053 -5.808 25.010 1.00 0.00 N ATOM 0 H HIS A 92 -7.023 -0.063 24.648 1.00 0.00 H new ATOM 0 HA HIS A 92 -8.940 -1.793 25.812 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -6.111 -2.780 25.619 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -6.956 -3.008 27.137 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.768 -4.216 26.340 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -7.670 -6.829 23.744 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.858 -6.433 24.970 1.00 0.00 H new ATOM 1480 N HIS A 93 -7.414 -1.115 28.171 1.00 0.00 N ATOM 1481 CA HIS A 93 -6.926 -0.311 29.283 1.00 0.00 C ATOM 1482 C HIS A 93 -5.503 -0.736 29.644 1.00 0.00 C ATOM 1483 O HIS A 93 -4.919 -1.582 28.965 1.00 0.00 O ATOM 1484 CB HIS A 93 -7.864 -0.404 30.503 1.00 0.00 C ATOM 1485 CG HIS A 93 -7.995 -1.763 31.142 1.00 0.00 C ATOM 1486 ND1 HIS A 93 -9.015 -2.077 32.013 1.00 0.00 N ATOM 1487 CD2 HIS A 93 -7.224 -2.875 31.064 1.00 0.00 C ATOM 1488 CE1 HIS A 93 -8.862 -3.312 32.446 1.00 0.00 C ATOM 1489 NE2 HIS A 93 -7.782 -3.821 31.886 1.00 0.00 N ATOM 0 H HIS A 93 -7.645 -2.079 28.411 1.00 0.00 H new ATOM 0 HA HIS A 93 -6.911 0.734 28.973 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.512 0.297 31.260 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.856 -0.072 30.198 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -6.334 -2.994 30.465 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.512 -3.822 33.142 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -7.421 -4.763 32.039 1.00 0.00 H new ATOM 1498 N HIS A 94 -4.956 -0.162 30.705 1.00 0.00 N ATOM 1499 CA HIS A 94 -3.597 -0.474 31.129 1.00 0.00 C ATOM 1500 C HIS A 94 -3.598 -1.651 32.093 1.00 0.00 C ATOM 1501 O HIS A 94 -3.768 -1.420 33.310 1.00 0.00 O ATOM 1502 CB HIS A 94 -2.947 0.742 31.795 1.00 0.00 C ATOM 1503 CG HIS A 94 -2.874 1.950 30.909 1.00 0.00 C ATOM 1504 ND1 HIS A 94 -1.855 2.165 30.009 1.00 0.00 N ATOM 1505 CD2 HIS A 94 -3.709 3.010 30.787 1.00 0.00 C ATOM 1506 CE1 HIS A 94 -2.064 3.303 29.375 1.00 0.00 C ATOM 1507 NE2 HIS A 94 -3.180 3.833 29.828 1.00 0.00 N ATOM 1508 OXT HIS A 94 -3.452 -2.801 31.633 1.00 0.00 O ATOM 0 H HIS A 94 -5.433 0.524 31.290 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.018 -0.741 30.245 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.509 0.996 32.694 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.939 0.475 32.113 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.621 3.175 31.342 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -1.427 3.728 28.613 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.586 4.715 29.515 1.00 0.00 H new TER 1517 HIS A 94