USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -65:sc= -2.13 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -1.54 X(o=-1.6,f=-1.2) USER MOD Set 1.3: A 85 CYS SG : rot 31:sc= -0.228 USER MOD Set 1.4: A 88 CYS SG : rot -51:sc= 1.5 USER MOD Set 1.5: A 90 THR OG1 : rot 102:sc= 1.42 USER MOD Set 1.6: A 92 TYR OH : rot -13:sc= -0.587 USER MOD Set 2.1: A 28 CYS SG : rot 120:sc= 0.222! USER MOD Set 2.2: A 31 CYS SG : rot -70:sc= -0.313! USER MOD Set 2.3: A 39 SER OG : rot 61:sc= 2.05 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -2.63 K(o=-0.3,f=-7.4!) USER MOD Set 2.5: A 69 CYS SG : rot 14:sc= 0.369! USER MOD Set 3.1: A 15 LYS NZ :NH3+ -145:sc= 0.0805 (180deg=0) USER MOD Set 3.2: A 16 TYR OH : rot -117:sc= 0.222 USER MOD Single : A 11 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.34) USER MOD Single : A 17 THR OG1 : rot -46:sc= 1.19 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -142:sc=-0.00843 (180deg=-0.225) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= -0.105 (180deg=-0.49) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -96:sc= 0.382 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -56:sc= -4.13! USER MOD Single : A 47 SER OG : rot -160:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 147:sc= -0.2 (180deg=-0.631) USER MOD Single : A 59 THR OG1 : rot -66:sc= 0.103 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -110:sc= -0.979 (180deg=-2.06) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 4:sc= 0.263 USER MOD Single : A 84 GLN : amide:sc= -0.218 K(o=-0.22,f=-1) USER MOD Single : A 87 SER OG : rot 180:sc=-0.00611 USER MOD Single : A 89 LYS NZ :NH3+ -134:sc= 0.0772 (180deg=-0.0125) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.419 8.388 -0.805 1.00 0.00 N ATOM 67 CA GLU A 8 -2.414 7.788 -1.674 1.00 0.00 C ATOM 68 C GLU A 8 -2.653 6.289 -1.829 1.00 0.00 C ATOM 69 O GLU A 8 -3.270 5.642 -0.982 1.00 0.00 O ATOM 70 CB GLU A 8 -1.011 8.036 -1.115 1.00 0.00 C ATOM 71 CG GLU A 8 -0.537 9.471 -1.275 1.00 0.00 C ATOM 72 CD GLU A 8 -0.776 10.012 -2.671 1.00 0.00 C ATOM 73 OE1 GLU A 8 -0.776 9.207 -3.627 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.963 11.239 -2.809 1.00 0.00 O ATOM 0 HA GLU A 8 -2.495 8.255 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.999 7.774 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.307 7.372 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.052 10.103 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.527 9.526 -1.045 1.00 0.00 H new ATOM 81 N PRO A 9 -2.156 5.722 -2.938 1.00 0.00 N ATOM 82 CA PRO A 9 -2.303 4.294 -3.232 1.00 0.00 C ATOM 83 C PRO A 9 -1.474 3.421 -2.296 1.00 0.00 C ATOM 84 O PRO A 9 -1.959 2.415 -1.778 1.00 0.00 O ATOM 85 CB PRO A 9 -1.792 4.172 -4.669 1.00 0.00 C ATOM 86 CG PRO A 9 -0.856 5.319 -4.837 1.00 0.00 C ATOM 87 CD PRO A 9 -1.410 6.433 -3.991 1.00 0.00 C ATOM 0 HA PRO A 9 -3.331 3.955 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.285 3.221 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.611 4.221 -5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.151 5.051 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.790 5.619 -5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.617 7.053 -3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.059 7.092 -4.568 1.00 0.00 H new ATOM 95 N GLU A 10 -0.222 3.814 -2.083 1.00 0.00 N ATOM 96 CA GLU A 10 0.674 3.065 -1.209 1.00 0.00 C ATOM 97 C GLU A 10 -0.051 2.614 0.056 1.00 0.00 C ATOM 98 O GLU A 10 0.163 1.505 0.543 1.00 0.00 O ATOM 99 CB GLU A 10 1.889 3.918 -0.837 1.00 0.00 C ATOM 100 CG GLU A 10 2.872 4.108 -1.980 1.00 0.00 C ATOM 101 CD GLU A 10 2.577 5.346 -2.804 1.00 0.00 C ATOM 102 OE1 GLU A 10 2.505 6.446 -2.216 1.00 0.00 O ATOM 103 OE2 GLU A 10 2.416 5.216 -4.035 1.00 0.00 O ATOM 0 H GLU A 10 0.194 4.645 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 10 1.011 2.180 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.546 4.895 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.406 3.453 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.883 4.177 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.845 3.231 -2.627 1.00 0.00 H new ATOM 110 N GLN A 11 -0.908 3.484 0.582 1.00 0.00 N ATOM 111 CA GLN A 11 -1.663 3.176 1.790 1.00 0.00 C ATOM 112 C GLN A 11 -2.751 2.146 1.504 1.00 0.00 C ATOM 113 O GLN A 11 -2.908 1.172 2.241 1.00 0.00 O ATOM 114 CB GLN A 11 -2.287 4.448 2.366 1.00 0.00 C ATOM 115 CG GLN A 11 -1.280 5.372 3.032 1.00 0.00 C ATOM 116 CD GLN A 11 -0.572 4.717 4.202 1.00 0.00 C ATOM 117 OE1 GLN A 11 -1.204 4.088 5.051 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.747 4.861 4.251 1.00 0.00 N ATOM 0 H GLN A 11 -1.096 4.407 0.190 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.973 2.755 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.791 4.990 1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.050 4.171 3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.541 5.689 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.791 6.271 3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.229 5.391 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.278 4.442 5.014 1.00 0.00 H new ATOM 127 N VAL A 12 -3.502 2.368 0.430 1.00 0.00 N ATOM 128 CA VAL A 12 -4.575 1.459 0.046 1.00 0.00 C ATOM 129 C VAL A 12 -4.108 0.009 0.087 1.00 0.00 C ATOM 130 O VAL A 12 -4.802 -0.862 0.612 1.00 0.00 O ATOM 131 CB VAL A 12 -5.102 1.778 -1.366 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.183 0.786 -1.769 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.624 3.205 -1.431 1.00 0.00 C ATOM 0 H VAL A 12 -3.387 3.170 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.381 1.598 0.767 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.277 1.686 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.543 1.027 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.771 -0.223 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.011 0.842 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.992 3.412 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.436 3.328 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.818 3.898 -1.189 1.00 0.00 H new ATOM 143 N ILE A 13 -2.928 -0.243 -0.469 1.00 0.00 N ATOM 144 CA ILE A 13 -2.368 -1.589 -0.494 1.00 0.00 C ATOM 145 C ILE A 13 -2.098 -2.098 0.918 1.00 0.00 C ATOM 146 O ILE A 13 -2.660 -3.108 1.343 1.00 0.00 O ATOM 147 CB ILE A 13 -1.059 -1.638 -1.304 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.274 -1.045 -2.698 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.552 -3.069 -1.404 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.122 -1.914 -3.600 1.00 0.00 C ATOM 0 H ILE A 13 -2.341 0.467 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.107 -2.230 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.307 -1.041 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.747 -0.068 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.304 -0.884 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.374 -3.088 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.366 -3.460 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.300 -3.686 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.233 -1.431 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.640 -2.883 -3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.105 -2.054 -3.151 1.00 0.00 H new ATOM 162 N ARG A 14 -1.235 -1.392 1.641 1.00 0.00 N ATOM 163 CA ARG A 14 -0.891 -1.772 3.006 1.00 0.00 C ATOM 164 C ARG A 14 -2.136 -1.821 3.887 1.00 0.00 C ATOM 165 O ARG A 14 -2.163 -2.511 4.906 1.00 0.00 O ATOM 166 CB ARG A 14 0.123 -0.788 3.592 1.00 0.00 C ATOM 167 CG ARG A 14 1.565 -1.121 3.246 1.00 0.00 C ATOM 168 CD ARG A 14 2.121 -2.203 4.158 1.00 0.00 C ATOM 169 NE ARG A 14 2.526 -1.669 5.456 1.00 0.00 N ATOM 170 CZ ARG A 14 3.579 -0.878 5.630 1.00 0.00 C ATOM 171 NH1 ARG A 14 4.329 -0.531 4.594 1.00 0.00 N ATOM 172 NH2 ARG A 14 3.883 -0.433 6.842 1.00 0.00 N ATOM 0 H ARG A 14 -0.761 -0.554 1.304 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.447 -2.767 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.106 0.215 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.013 -0.769 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.624 -1.452 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.177 -0.223 3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.368 -2.977 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.977 -2.677 3.678 1.00 0.00 H new ATOM 0 HE ARG A 14 1.969 -1.917 6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.098 -0.871 3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.137 0.076 4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.308 -0.698 7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.692 0.174 6.974 1.00 0.00 H new ATOM 186 N LYS A 15 -3.166 -1.082 3.488 1.00 0.00 N ATOM 187 CA LYS A 15 -4.415 -1.041 4.239 1.00 0.00 C ATOM 188 C LYS A 15 -5.203 -2.334 4.057 1.00 0.00 C ATOM 189 O LYS A 15 -5.804 -2.845 5.002 1.00 0.00 O ATOM 190 CB LYS A 15 -5.263 0.153 3.794 1.00 0.00 C ATOM 191 CG LYS A 15 -6.684 0.124 4.330 1.00 0.00 C ATOM 192 CD LYS A 15 -7.535 1.221 3.712 1.00 0.00 C ATOM 193 CE LYS A 15 -9.018 0.901 3.818 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.798 1.514 2.707 1.00 0.00 N ATOM 0 H LYS A 15 -3.160 -0.503 2.648 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.171 -0.932 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.779 1.073 4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.295 0.179 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.133 -0.847 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.668 0.242 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.329 2.168 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.263 1.348 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.158 -0.180 3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.400 1.262 4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.733 1.805 3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.290 2.346 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.917 0.820 1.942 1.00 0.00 H new ATOM 208 N TYR A 16 -5.196 -2.858 2.836 1.00 0.00 N ATOM 209 CA TYR A 16 -5.912 -4.091 2.530 1.00 0.00 C ATOM 210 C TYR A 16 -5.030 -5.310 2.783 1.00 0.00 C ATOM 211 O TYR A 16 -5.524 -6.423 2.965 1.00 0.00 O ATOM 212 CB TYR A 16 -6.385 -4.083 1.075 1.00 0.00 C ATOM 213 CG TYR A 16 -7.476 -3.073 0.799 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.528 -2.897 1.689 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.454 -2.296 -0.353 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.527 -1.976 1.440 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.448 -1.371 -0.609 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.483 -1.216 0.289 1.00 0.00 C ATOM 219 OH TYR A 16 -10.476 -0.297 0.038 1.00 0.00 O ATOM 0 H TYR A 16 -4.703 -2.448 2.043 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.780 -4.150 3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.535 -3.873 0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.747 -5.077 0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.565 -3.490 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.647 -2.417 -1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.338 -1.851 2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.415 -0.773 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.961 -0.553 -0.774 1.00 0.00 H new ATOM 229 N THR A 17 -3.718 -5.091 2.793 1.00 0.00 N ATOM 230 CA THR A 17 -2.765 -6.169 3.023 1.00 0.00 C ATOM 231 C THR A 17 -2.034 -5.984 4.348 1.00 0.00 C ATOM 232 O THR A 17 -2.087 -4.913 4.951 1.00 0.00 O ATOM 233 CB THR A 17 -1.730 -6.256 1.886 1.00 0.00 C ATOM 234 OG1 THR A 17 -0.946 -5.059 1.845 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.415 -6.465 0.544 1.00 0.00 C ATOM 0 H THR A 17 -3.292 -4.176 2.644 1.00 0.00 H new ATOM 0 HA THR A 17 -3.338 -7.096 3.054 1.00 0.00 H new ATOM 0 HB THR A 17 -1.081 -7.109 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.535 -4.279 1.917 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.663 -6.523 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.988 -7.392 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.086 -5.629 0.344 1.00 0.00 H new ATOM 243 N GLU A 18 -1.353 -7.034 4.794 1.00 0.00 N ATOM 244 CA GLU A 18 -0.611 -6.986 6.049 1.00 0.00 C ATOM 245 C GLU A 18 0.763 -7.631 5.894 1.00 0.00 C ATOM 246 O GLU A 18 0.873 -8.839 5.689 1.00 0.00 O ATOM 247 CB GLU A 18 -1.395 -7.690 7.158 1.00 0.00 C ATOM 248 CG GLU A 18 -1.079 -7.170 8.551 1.00 0.00 C ATOM 249 CD GLU A 18 -1.981 -6.023 8.964 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.268 -5.157 8.112 1.00 0.00 O ATOM 251 OE2 GLU A 18 -2.400 -5.993 10.140 1.00 0.00 O ATOM 0 H GLU A 18 -1.299 -7.928 4.306 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.473 -5.939 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.462 -7.572 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.181 -8.758 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.179 -7.983 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.040 -6.841 8.585 1.00 0.00 H new ATOM 258 N GLU A 19 1.808 -6.815 5.993 1.00 0.00 N ATOM 259 CA GLU A 19 3.175 -7.307 5.862 1.00 0.00 C ATOM 260 C GLU A 19 3.417 -8.495 6.788 1.00 0.00 C ATOM 261 O GLU A 19 2.899 -8.543 7.905 1.00 0.00 O ATOM 262 CB GLU A 19 4.174 -6.191 6.176 1.00 0.00 C ATOM 263 CG GLU A 19 5.615 -6.559 5.867 1.00 0.00 C ATOM 264 CD GLU A 19 6.603 -5.879 6.794 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.305 -4.761 7.263 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.675 -6.467 7.052 1.00 0.00 O ATOM 0 H GLU A 19 1.735 -5.812 6.163 1.00 0.00 H new ATOM 0 HA GLU A 19 3.318 -7.635 4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.904 -5.302 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.093 -5.929 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.735 -7.640 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.843 -6.286 4.837 1.00 0.00 H new ATOM 273 N LEU A 20 4.206 -9.454 6.316 1.00 0.00 N ATOM 274 CA LEU A 20 4.516 -10.645 7.100 1.00 0.00 C ATOM 275 C LEU A 20 6.008 -10.719 7.409 1.00 0.00 C ATOM 276 O LEU A 20 6.846 -10.429 6.554 1.00 0.00 O ATOM 277 CB LEU A 20 4.076 -11.903 6.350 1.00 0.00 C ATOM 278 CG LEU A 20 2.692 -11.847 5.701 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.407 -13.134 4.941 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.620 -11.597 6.751 1.00 0.00 C ATOM 0 H LEU A 20 4.643 -9.430 5.395 1.00 0.00 H new ATOM 0 HA LEU A 20 3.971 -10.582 8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.811 -12.115 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.096 -12.742 7.045 1.00 0.00 H new ATOM 0 HG LEU A 20 2.677 -11.019 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.418 -13.076 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.157 -13.271 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.441 -13.978 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.642 -11.560 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.634 -12.403 7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.815 -10.648 7.251 1.00 0.00 H new ATOM 292 N LYS A 21 6.335 -11.112 8.635 1.00 0.00 N ATOM 293 CA LYS A 21 7.725 -11.229 9.057 1.00 0.00 C ATOM 294 C LYS A 21 8.567 -11.901 7.977 1.00 0.00 C ATOM 295 O LYS A 21 9.719 -11.530 7.753 1.00 0.00 O ATOM 296 CB LYS A 21 7.819 -12.025 10.361 1.00 0.00 C ATOM 297 CG LYS A 21 7.262 -11.286 11.566 1.00 0.00 C ATOM 298 CD LYS A 21 5.754 -11.447 11.670 1.00 0.00 C ATOM 299 CE LYS A 21 5.274 -11.282 13.104 1.00 0.00 C ATOM 300 NZ LYS A 21 5.109 -9.849 13.472 1.00 0.00 N ATOM 0 H LYS A 21 5.655 -11.355 9.355 1.00 0.00 H new ATOM 0 HA LYS A 21 8.114 -10.224 9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.282 -12.966 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.863 -12.276 10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.733 -11.662 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.512 -10.228 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.264 -10.710 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.465 -12.431 11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.324 -11.801 13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.987 -11.751 13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.781 -9.779 14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.021 -9.359 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.410 -9.407 12.842 1.00 0.00 H new ATOM 314 N VAL A 22 7.983 -12.892 7.310 1.00 0.00 N ATOM 315 CA VAL A 22 8.679 -13.614 6.252 1.00 0.00 C ATOM 316 C VAL A 22 7.708 -14.071 5.168 1.00 0.00 C ATOM 317 O VAL A 22 6.665 -14.654 5.461 1.00 0.00 O ATOM 318 CB VAL A 22 9.426 -14.842 6.807 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.074 -15.629 5.678 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.463 -14.414 7.834 1.00 0.00 C ATOM 0 H VAL A 22 7.030 -13.213 7.484 1.00 0.00 H new ATOM 0 HA VAL A 22 9.403 -12.922 5.820 1.00 0.00 H new ATOM 0 HB VAL A 22 8.704 -15.492 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.597 -16.492 6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.306 -15.968 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.785 -14.992 5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.981 -15.293 8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.183 -13.743 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.969 -13.898 8.657 1.00 0.00 H new ATOM 330 N ALA A 23 8.059 -13.802 3.915 1.00 0.00 N ATOM 331 CA ALA A 23 7.220 -14.188 2.787 1.00 0.00 C ATOM 332 C ALA A 23 6.874 -15.672 2.843 1.00 0.00 C ATOM 333 O ALA A 23 7.734 -16.527 3.052 1.00 0.00 O ATOM 334 CB ALA A 23 7.915 -13.855 1.475 1.00 0.00 C ATOM 0 H ALA A 23 8.919 -13.318 3.655 1.00 0.00 H new ATOM 0 HA ALA A 23 6.290 -13.623 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.278 -14.148 0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.106 -12.783 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.860 -14.395 1.417 1.00 0.00 H new ATOM 340 N PRO A 24 5.584 -15.986 2.652 1.00 0.00 N ATOM 341 CA PRO A 24 5.094 -17.368 2.677 1.00 0.00 C ATOM 342 C PRO A 24 5.570 -18.173 1.472 1.00 0.00 C ATOM 343 O PRO A 24 6.252 -17.647 0.594 1.00 0.00 O ATOM 344 CB PRO A 24 3.572 -17.205 2.644 1.00 0.00 C ATOM 345 CG PRO A 24 3.346 -15.886 1.990 1.00 0.00 C ATOM 346 CD PRO A 24 4.504 -15.018 2.398 1.00 0.00 C ATOM 0 HA PRO A 24 5.459 -17.915 3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.100 -18.011 2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.150 -17.226 3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.300 -15.991 0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.400 -15.449 2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.774 -14.312 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.273 -14.432 3.287 1.00 0.00 H new ATOM 354 N GLU A 25 5.205 -19.451 1.438 1.00 0.00 N ATOM 355 CA GLU A 25 5.596 -20.327 0.341 1.00 0.00 C ATOM 356 C GLU A 25 4.606 -20.225 -0.816 1.00 0.00 C ATOM 357 O GLU A 25 4.312 -21.216 -1.484 1.00 0.00 O ATOM 358 CB GLU A 25 5.685 -21.777 0.823 1.00 0.00 C ATOM 359 CG GLU A 25 4.372 -22.322 1.360 1.00 0.00 C ATOM 360 CD GLU A 25 4.449 -23.797 1.702 1.00 0.00 C ATOM 361 OE1 GLU A 25 5.209 -24.523 1.026 1.00 0.00 O ATOM 362 OE2 GLU A 25 3.751 -24.226 2.644 1.00 0.00 O ATOM 0 H GLU A 25 4.640 -19.902 2.157 1.00 0.00 H new ATOM 0 HA GLU A 25 6.577 -20.008 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.019 -22.406 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.443 -21.846 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.087 -21.761 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.588 -22.165 0.619 1.00 0.00 H new ATOM 369 N GLU A 26 4.095 -19.020 -1.046 1.00 0.00 N ATOM 370 CA GLU A 26 3.137 -18.788 -2.121 1.00 0.00 C ATOM 371 C GLU A 26 3.826 -18.188 -3.343 1.00 0.00 C ATOM 372 O GLU A 26 4.870 -17.547 -3.228 1.00 0.00 O ATOM 373 CB GLU A 26 2.018 -17.860 -1.645 1.00 0.00 C ATOM 374 CG GLU A 26 1.135 -18.472 -0.570 1.00 0.00 C ATOM 375 CD GLU A 26 0.550 -19.807 -0.985 1.00 0.00 C ATOM 376 OE1 GLU A 26 0.177 -19.950 -2.168 1.00 0.00 O ATOM 377 OE2 GLU A 26 0.465 -20.710 -0.126 1.00 0.00 O ATOM 0 H GLU A 26 4.328 -18.189 -0.502 1.00 0.00 H new ATOM 0 HA GLU A 26 2.706 -19.749 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.459 -16.940 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.399 -17.584 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.717 -18.603 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.325 -17.782 -0.335 1.00 0.00 H new ATOM 384 N ASP A 27 3.233 -18.402 -4.513 1.00 0.00 N ATOM 385 CA ASP A 27 3.788 -17.883 -5.757 1.00 0.00 C ATOM 386 C ASP A 27 2.954 -16.717 -6.279 1.00 0.00 C ATOM 387 O ASP A 27 1.773 -16.875 -6.591 1.00 0.00 O ATOM 388 CB ASP A 27 3.856 -18.989 -6.811 1.00 0.00 C ATOM 389 CG ASP A 27 2.802 -20.058 -6.598 1.00 0.00 C ATOM 390 OD1 ASP A 27 2.855 -20.745 -5.556 1.00 0.00 O ATOM 391 OD2 ASP A 27 1.923 -20.206 -7.473 1.00 0.00 O ATOM 0 H ASP A 27 2.368 -18.931 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 27 4.797 -17.523 -5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.730 -18.551 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.844 -19.448 -6.789 1.00 0.00 H new ATOM 396 N CYS A 28 3.575 -15.546 -6.370 1.00 0.00 N ATOM 397 CA CYS A 28 2.891 -14.352 -6.853 1.00 0.00 C ATOM 398 C CYS A 28 2.504 -14.503 -8.321 1.00 0.00 C ATOM 399 O CYS A 28 3.363 -14.683 -9.185 1.00 0.00 O ATOM 400 CB CYS A 28 3.781 -13.121 -6.673 1.00 0.00 C ATOM 401 SG CYS A 28 3.125 -11.609 -7.449 1.00 0.00 S ATOM 0 H CYS A 28 4.552 -15.398 -6.115 1.00 0.00 H new ATOM 0 HA CYS A 28 1.981 -14.223 -6.267 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.920 -12.939 -5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.765 -13.333 -7.091 1.00 0.00 H new ATOM 0 HG CYS A 28 2.945 -10.698 -6.540 1.00 0.00 H new ATOM 406 N ILE A 29 1.206 -14.428 -8.595 1.00 0.00 N ATOM 407 CA ILE A 29 0.705 -14.555 -9.958 1.00 0.00 C ATOM 408 C ILE A 29 0.930 -13.270 -10.748 1.00 0.00 C ATOM 409 O ILE A 29 1.099 -13.301 -11.968 1.00 0.00 O ATOM 410 CB ILE A 29 -0.796 -14.899 -9.977 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.610 -13.764 -9.352 1.00 0.00 C ATOM 412 CG2 ILE A 29 -1.048 -16.207 -9.242 1.00 0.00 C ATOM 413 CD1 ILE A 29 -3.035 -13.695 -9.853 1.00 0.00 C ATOM 0 H ILE A 29 0.482 -14.280 -7.891 1.00 0.00 H new ATOM 0 HA ILE A 29 1.262 -15.368 -10.424 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.113 -15.020 -11.013 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.620 -13.889 -8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.114 -12.816 -9.559 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.113 -16.437 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.493 -17.010 -9.728 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.718 -16.112 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.552 -12.867 -9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.034 -13.539 -10.932 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.548 -14.629 -9.622 1.00 0.00 H new ATOM 425 N ILE A 30 0.933 -12.142 -10.045 1.00 0.00 N ATOM 426 CA ILE A 30 1.141 -10.847 -10.681 1.00 0.00 C ATOM 427 C ILE A 30 2.452 -10.821 -11.459 1.00 0.00 C ATOM 428 O ILE A 30 2.530 -10.248 -12.546 1.00 0.00 O ATOM 429 CB ILE A 30 1.148 -9.707 -9.645 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.177 -9.674 -8.882 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.406 -8.372 -10.329 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.159 -8.757 -7.679 1.00 0.00 C ATOM 0 H ILE A 30 0.794 -12.099 -9.035 1.00 0.00 H new ATOM 0 HA ILE A 30 0.310 -10.696 -11.370 1.00 0.00 H new ATOM 0 HB ILE A 30 1.952 -9.889 -8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.969 -9.356 -9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.424 -10.684 -8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.408 -7.576 -9.584 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.373 -8.401 -10.831 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.622 -8.181 -11.062 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.131 -8.784 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.610 -9.087 -6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.057 -7.738 -8.001 1.00 0.00 H new ATOM 444 N CYS A 31 3.481 -11.445 -10.895 1.00 0.00 N ATOM 445 CA CYS A 31 4.790 -11.495 -11.535 1.00 0.00 C ATOM 446 C CYS A 31 5.213 -12.938 -11.795 1.00 0.00 C ATOM 447 O CYS A 31 6.235 -13.190 -12.434 1.00 0.00 O ATOM 448 CB CYS A 31 5.834 -10.794 -10.664 1.00 0.00 C ATOM 449 SG CYS A 31 6.060 -11.550 -9.022 1.00 0.00 S ATOM 0 H CYS A 31 3.433 -11.923 -9.995 1.00 0.00 H new ATOM 0 HA CYS A 31 4.719 -10.978 -12.492 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.790 -10.796 -11.188 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.544 -9.751 -10.535 1.00 0.00 H new ATOM 0 HG CYS A 31 5.004 -11.333 -8.296 1.00 0.00 H new ATOM 454 N MET A 32 4.421 -13.880 -11.295 1.00 0.00 N ATOM 455 CA MET A 32 4.713 -15.298 -11.475 1.00 0.00 C ATOM 456 C MET A 32 6.093 -15.643 -10.923 1.00 0.00 C ATOM 457 O MET A 32 6.831 -16.427 -11.519 1.00 0.00 O ATOM 458 CB MET A 32 4.635 -15.673 -12.956 1.00 0.00 C ATOM 459 CG MET A 32 3.225 -15.620 -13.522 1.00 0.00 C ATOM 460 SD MET A 32 3.202 -15.582 -15.325 1.00 0.00 S ATOM 461 CE MET A 32 3.717 -13.895 -15.634 1.00 0.00 C ATOM 0 H MET A 32 3.573 -13.688 -10.762 1.00 0.00 H new ATOM 0 HA MET A 32 3.967 -15.870 -10.923 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.273 -14.999 -13.527 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.034 -16.679 -13.089 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.665 -16.488 -13.173 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.716 -14.736 -13.137 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.162 -13.495 -16.482 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.519 -13.287 -14.751 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.784 -13.875 -15.856 1.00 0.00 H new ATOM 471 N GLU A 33 6.434 -15.051 -9.783 1.00 0.00 N ATOM 472 CA GLU A 33 7.726 -15.297 -9.153 1.00 0.00 C ATOM 473 C GLU A 33 7.554 -15.662 -7.682 1.00 0.00 C ATOM 474 O GLU A 33 6.482 -15.476 -7.105 1.00 0.00 O ATOM 475 CB GLU A 33 8.623 -14.064 -9.281 1.00 0.00 C ATOM 476 CG GLU A 33 9.260 -13.914 -10.653 1.00 0.00 C ATOM 477 CD GLU A 33 10.331 -14.954 -10.916 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.339 -14.967 -10.178 1.00 0.00 O ATOM 479 OE2 GLU A 33 10.161 -15.755 -11.859 1.00 0.00 O ATOM 0 H GLU A 33 5.835 -14.399 -9.277 1.00 0.00 H new ATOM 0 HA GLU A 33 8.197 -16.136 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.034 -13.173 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.410 -14.118 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.488 -13.992 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.696 -12.919 -10.740 1.00 0.00 H new ATOM 486 N LYS A 34 8.617 -16.186 -7.080 1.00 0.00 N ATOM 487 CA LYS A 34 8.585 -16.578 -5.676 1.00 0.00 C ATOM 488 C LYS A 34 8.619 -15.353 -4.767 1.00 0.00 C ATOM 489 O LYS A 34 9.406 -14.430 -4.981 1.00 0.00 O ATOM 490 CB LYS A 34 9.767 -17.496 -5.355 1.00 0.00 C ATOM 491 CG LYS A 34 9.612 -18.903 -5.907 1.00 0.00 C ATOM 492 CD LYS A 34 10.957 -19.516 -6.258 1.00 0.00 C ATOM 493 CE LYS A 34 10.842 -20.481 -7.427 1.00 0.00 C ATOM 494 NZ LYS A 34 10.457 -19.784 -8.686 1.00 0.00 N ATOM 0 H LYS A 34 9.511 -16.349 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 34 7.654 -17.116 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.679 -17.055 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.891 -17.551 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.106 -19.529 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.979 -18.879 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.665 -18.725 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.357 -20.040 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.794 -20.992 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.102 -21.246 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.817 -20.318 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.421 -19.719 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.865 -18.827 -8.692 1.00 0.00 H new ATOM 508 N LEU A 35 7.761 -15.351 -3.753 1.00 0.00 N ATOM 509 CA LEU A 35 7.693 -14.239 -2.811 1.00 0.00 C ATOM 510 C LEU A 35 9.041 -14.018 -2.132 1.00 0.00 C ATOM 511 O LEU A 35 9.397 -12.891 -1.789 1.00 0.00 O ATOM 512 CB LEU A 35 6.616 -14.503 -1.758 1.00 0.00 C ATOM 513 CG LEU A 35 5.201 -14.738 -2.288 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.345 -15.430 -1.239 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.566 -13.422 -2.714 1.00 0.00 C ATOM 0 H LEU A 35 7.103 -16.106 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 35 7.435 -13.338 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.913 -15.374 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.590 -13.655 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 35 5.264 -15.388 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.342 -15.589 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.790 -16.391 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.289 -14.807 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.559 -13.608 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.516 -12.748 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.167 -12.966 -3.500 1.00 0.00 H new ATOM 527 N ALA A 36 9.787 -15.102 -1.943 1.00 0.00 N ATOM 528 CA ALA A 36 11.097 -15.025 -1.309 1.00 0.00 C ATOM 529 C ALA A 36 12.037 -14.119 -2.098 1.00 0.00 C ATOM 530 O ALA A 36 12.822 -13.368 -1.519 1.00 0.00 O ATOM 531 CB ALA A 36 11.697 -16.417 -1.168 1.00 0.00 C ATOM 0 H ALA A 36 9.506 -16.043 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 36 10.968 -14.594 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.675 -16.345 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.041 -17.036 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.805 -16.868 -2.154 1.00 0.00 H new ATOM 537 N VAL A 37 11.952 -14.196 -3.422 1.00 0.00 N ATOM 538 CA VAL A 37 12.794 -13.382 -4.290 1.00 0.00 C ATOM 539 C VAL A 37 12.173 -12.011 -4.531 1.00 0.00 C ATOM 540 O VAL A 37 10.982 -11.808 -4.298 1.00 0.00 O ATOM 541 CB VAL A 37 13.032 -14.071 -5.647 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.615 -15.461 -5.446 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.739 -14.137 -6.445 1.00 0.00 C ATOM 0 H VAL A 37 11.309 -14.814 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 37 13.749 -13.260 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 37 13.752 -13.480 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.776 -15.932 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.565 -15.384 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.922 -16.065 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.926 -14.627 -7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.995 -14.704 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.368 -13.127 -6.621 1.00 0.00 H new ATOM 553 N ALA A 38 12.989 -11.071 -4.998 1.00 0.00 N ATOM 554 CA ALA A 38 12.519 -9.719 -5.273 1.00 0.00 C ATOM 555 C ALA A 38 11.217 -9.741 -6.066 1.00 0.00 C ATOM 556 O ALA A 38 10.752 -10.801 -6.486 1.00 0.00 O ATOM 557 CB ALA A 38 13.584 -8.933 -6.023 1.00 0.00 C ATOM 0 H ALA A 38 13.979 -11.221 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 38 12.324 -9.227 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.220 -7.925 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.489 -8.879 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.807 -9.431 -6.967 1.00 0.00 H new ATOM 563 N SER A 39 10.633 -8.564 -6.268 1.00 0.00 N ATOM 564 CA SER A 39 9.381 -8.449 -7.008 1.00 0.00 C ATOM 565 C SER A 39 9.647 -8.218 -8.492 1.00 0.00 C ATOM 566 O SER A 39 10.695 -7.699 -8.874 1.00 0.00 O ATOM 567 CB SER A 39 8.535 -7.305 -6.445 1.00 0.00 C ATOM 568 OG SER A 39 7.347 -7.132 -7.198 1.00 0.00 O ATOM 0 H SER A 39 11.006 -7.677 -5.930 1.00 0.00 H new ATOM 0 HA SER A 39 8.834 -9.385 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.283 -7.512 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.114 -6.381 -6.455 1.00 0.00 H new ATOM 0 HG SER A 39 6.810 -7.950 -7.154 1.00 0.00 H new ATOM 574 N GLY A 40 8.687 -8.608 -9.327 1.00 0.00 N ATOM 575 CA GLY A 40 8.836 -8.436 -10.760 1.00 0.00 C ATOM 576 C GLY A 40 8.789 -6.979 -11.177 1.00 0.00 C ATOM 577 O GLY A 40 9.549 -6.550 -12.046 1.00 0.00 O ATOM 0 H GLY A 40 7.810 -9.040 -9.036 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.783 -8.872 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.045 -8.983 -11.273 1.00 0.00 H new ATOM 581 N TYR A 41 7.896 -6.216 -10.557 1.00 0.00 N ATOM 582 CA TYR A 41 7.751 -4.800 -10.871 1.00 0.00 C ATOM 583 C TYR A 41 8.745 -3.960 -10.075 1.00 0.00 C ATOM 584 O TYR A 41 8.642 -2.735 -10.029 1.00 0.00 O ATOM 585 CB TYR A 41 6.323 -4.334 -10.578 1.00 0.00 C ATOM 586 CG TYR A 41 5.276 -5.028 -11.419 1.00 0.00 C ATOM 587 CD1 TYR A 41 5.009 -6.382 -11.255 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.551 -4.329 -12.377 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.053 -7.019 -12.022 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.592 -4.958 -13.148 1.00 0.00 C ATOM 591 CZ TYR A 41 3.347 -6.303 -12.967 1.00 0.00 C ATOM 592 OH TYR A 41 2.393 -6.935 -13.731 1.00 0.00 O ATOM 0 H TYR A 41 7.261 -6.555 -9.834 1.00 0.00 H new ATOM 0 HA TYR A 41 7.959 -4.667 -11.933 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.103 -4.505 -9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.259 -3.259 -10.747 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.558 -6.946 -10.515 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.741 -3.276 -12.521 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.859 -8.072 -11.883 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.038 -4.400 -13.888 1.00 0.00 H new ATOM 0 HH TYR A 41 1.987 -6.290 -14.347 1.00 0.00 H new ATOM 602 N SER A 42 9.708 -4.630 -9.450 1.00 0.00 N ATOM 603 CA SER A 42 10.720 -3.948 -8.653 1.00 0.00 C ATOM 604 C SER A 42 11.214 -2.690 -9.362 1.00 0.00 C ATOM 605 O SER A 42 11.365 -1.635 -8.746 1.00 0.00 O ATOM 606 CB SER A 42 11.897 -4.885 -8.373 1.00 0.00 C ATOM 607 OG SER A 42 12.396 -5.448 -9.573 1.00 0.00 O ATOM 0 H SER A 42 9.808 -5.645 -9.480 1.00 0.00 H new ATOM 0 HA SER A 42 10.265 -3.656 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.691 -4.336 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.580 -5.680 -7.698 1.00 0.00 H new ATOM 0 HG SER A 42 12.002 -6.335 -9.706 1.00 0.00 H new ATOM 613 N ASP A 43 11.463 -2.811 -10.661 1.00 0.00 N ATOM 614 CA ASP A 43 11.939 -1.685 -11.456 1.00 0.00 C ATOM 615 C ASP A 43 10.785 -0.766 -11.842 1.00 0.00 C ATOM 616 O ASP A 43 10.826 0.438 -11.589 1.00 0.00 O ATOM 617 CB ASP A 43 12.651 -2.186 -12.714 1.00 0.00 C ATOM 618 CG ASP A 43 12.730 -1.127 -13.796 1.00 0.00 C ATOM 619 OD1 ASP A 43 13.556 -0.201 -13.659 1.00 0.00 O ATOM 620 OD2 ASP A 43 11.964 -1.224 -14.778 1.00 0.00 O ATOM 0 H ASP A 43 11.343 -3.677 -11.186 1.00 0.00 H new ATOM 0 HA ASP A 43 12.645 -1.117 -10.850 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.658 -2.510 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.126 -3.059 -13.102 1.00 0.00 H new ATOM 625 N MET A 44 9.757 -1.342 -12.457 1.00 0.00 N ATOM 626 CA MET A 44 8.591 -0.574 -12.878 1.00 0.00 C ATOM 627 C MET A 44 8.160 0.402 -11.787 1.00 0.00 C ATOM 628 O MET A 44 7.861 1.564 -12.062 1.00 0.00 O ATOM 629 CB MET A 44 7.433 -1.512 -13.225 1.00 0.00 C ATOM 630 CG MET A 44 6.119 -0.790 -13.475 1.00 0.00 C ATOM 631 SD MET A 44 5.913 -0.299 -15.197 1.00 0.00 S ATOM 632 CE MET A 44 4.321 -1.029 -15.570 1.00 0.00 C ATOM 0 H MET A 44 9.708 -2.337 -12.675 1.00 0.00 H new ATOM 0 HA MET A 44 8.865 -0.003 -13.765 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.696 -2.088 -14.112 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.297 -2.225 -12.411 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.292 -1.438 -13.185 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.069 0.095 -12.840 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.054 -0.811 -16.604 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.374 -2.108 -15.428 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.565 -0.612 -14.905 1.00 0.00 H new ATOM 642 N THR A 45 8.129 -0.079 -10.548 1.00 0.00 N ATOM 643 CA THR A 45 7.733 0.750 -9.416 1.00 0.00 C ATOM 644 C THR A 45 8.951 1.339 -8.714 1.00 0.00 C ATOM 645 O THR A 45 9.997 0.696 -8.620 1.00 0.00 O ATOM 646 CB THR A 45 6.904 -0.052 -8.396 1.00 0.00 C ATOM 647 OG1 THR A 45 7.603 -1.246 -8.026 1.00 0.00 O ATOM 648 CG2 THR A 45 5.542 -0.413 -8.969 1.00 0.00 C ATOM 0 H THR A 45 8.373 -1.038 -10.303 1.00 0.00 H new ATOM 0 HA THR A 45 7.121 1.559 -9.815 1.00 0.00 H new ATOM 0 HB THR A 45 6.756 0.570 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.804 -1.770 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.975 -0.979 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.000 0.499 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.673 -1.017 -9.866 1.00 0.00 H new ATOM 656 N ASP A 46 8.808 2.565 -8.222 1.00 0.00 N ATOM 657 CA ASP A 46 9.897 3.240 -7.525 1.00 0.00 C ATOM 658 C ASP A 46 9.421 3.804 -6.190 1.00 0.00 C ATOM 659 O ASP A 46 9.750 4.934 -5.830 1.00 0.00 O ATOM 660 CB ASP A 46 10.467 4.364 -8.393 1.00 0.00 C ATOM 661 CG ASP A 46 11.687 5.014 -7.771 1.00 0.00 C ATOM 662 OD1 ASP A 46 12.536 4.280 -7.223 1.00 0.00 O ATOM 663 OD2 ASP A 46 11.793 6.256 -7.834 1.00 0.00 O ATOM 0 H ASP A 46 7.949 3.111 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 46 10.681 2.508 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.731 3.965 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.699 5.120 -8.554 1.00 0.00 H new ATOM 668 N SER A 47 8.645 3.009 -5.461 1.00 0.00 N ATOM 669 CA SER A 47 8.119 3.430 -4.168 1.00 0.00 C ATOM 670 C SER A 47 9.163 3.243 -3.070 1.00 0.00 C ATOM 671 O SER A 47 9.944 2.292 -3.095 1.00 0.00 O ATOM 672 CB SER A 47 6.855 2.640 -3.825 1.00 0.00 C ATOM 673 OG SER A 47 5.988 3.397 -2.998 1.00 0.00 O ATOM 0 H SER A 47 8.366 2.069 -5.744 1.00 0.00 H new ATOM 0 HA SER A 47 7.870 4.489 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.336 2.362 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.128 1.714 -3.320 1.00 0.00 H new ATOM 0 HG SER A 47 5.366 2.795 -2.539 1.00 0.00 H new ATOM 679 N LYS A 48 9.170 4.160 -2.108 1.00 0.00 N ATOM 680 CA LYS A 48 10.116 4.098 -1.000 1.00 0.00 C ATOM 681 C LYS A 48 9.555 3.264 0.148 1.00 0.00 C ATOM 682 O LYS A 48 10.185 2.308 0.599 1.00 0.00 O ATOM 683 CB LYS A 48 10.447 5.508 -0.506 1.00 0.00 C ATOM 684 CG LYS A 48 11.692 5.572 0.362 1.00 0.00 C ATOM 685 CD LYS A 48 11.369 5.303 1.822 1.00 0.00 C ATOM 686 CE LYS A 48 12.633 5.112 2.647 1.00 0.00 C ATOM 687 NZ LYS A 48 13.195 6.411 3.108 1.00 0.00 N ATOM 0 H LYS A 48 8.531 4.955 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 48 11.028 3.622 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.580 6.163 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.599 5.894 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.420 4.842 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.154 6.555 0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.791 6.134 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.745 4.413 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.412 4.485 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.379 4.584 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.055 6.238 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.430 7.000 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.493 6.904 3.697 1.00 0.00 H new ATOM 701 N ALA A 49 8.367 3.633 0.616 1.00 0.00 N ATOM 702 CA ALA A 49 7.720 2.917 1.708 1.00 0.00 C ATOM 703 C ALA A 49 7.609 1.428 1.399 1.00 0.00 C ATOM 704 O ALA A 49 7.959 0.584 2.225 1.00 0.00 O ATOM 705 CB ALA A 49 6.344 3.505 1.983 1.00 0.00 C ATOM 0 H ALA A 49 7.833 4.424 0.256 1.00 0.00 H new ATOM 0 HA ALA A 49 8.336 3.031 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.872 2.960 2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.445 4.555 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.727 3.421 1.088 1.00 0.00 H new ATOM 711 N LEU A 50 7.119 1.111 0.205 1.00 0.00 N ATOM 712 CA LEU A 50 6.961 -0.278 -0.213 1.00 0.00 C ATOM 713 C LEU A 50 8.306 -0.887 -0.598 1.00 0.00 C ATOM 714 O LEU A 50 9.302 -0.179 -0.737 1.00 0.00 O ATOM 715 CB LEU A 50 5.991 -0.368 -1.392 1.00 0.00 C ATOM 716 CG LEU A 50 4.565 0.116 -1.127 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.796 0.254 -2.432 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.846 -0.834 -0.180 1.00 0.00 C ATOM 0 H LEU A 50 6.824 1.797 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 50 6.555 -0.841 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.402 0.211 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.946 -1.406 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 50 4.617 1.097 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.784 0.599 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.299 0.975 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.753 -0.713 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.833 -0.473 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.805 -1.829 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.385 -0.881 0.766 1.00 0.00 H new ATOM 730 N GLY A 51 8.325 -2.205 -0.771 1.00 0.00 N ATOM 731 CA GLY A 51 9.551 -2.887 -1.141 1.00 0.00 C ATOM 732 C GLY A 51 9.309 -4.039 -2.095 1.00 0.00 C ATOM 733 O GLY A 51 8.296 -4.735 -2.017 1.00 0.00 O ATOM 0 H GLY A 51 7.513 -2.813 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.234 -2.174 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.041 -3.261 -0.242 1.00 0.00 H new ATOM 737 N PRO A 52 10.254 -4.253 -3.023 1.00 0.00 N ATOM 738 CA PRO A 52 10.160 -5.328 -4.015 1.00 0.00 C ATOM 739 C PRO A 52 10.322 -6.710 -3.390 1.00 0.00 C ATOM 740 O PRO A 52 9.918 -7.716 -3.972 1.00 0.00 O ATOM 741 CB PRO A 52 11.320 -5.034 -4.968 1.00 0.00 C ATOM 742 CG PRO A 52 12.301 -4.270 -4.147 1.00 0.00 C ATOM 743 CD PRO A 52 11.487 -3.463 -3.174 1.00 0.00 C ATOM 0 HA PRO A 52 9.185 -5.349 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.758 -5.954 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.988 -4.454 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.980 -4.943 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.914 -3.623 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.004 -3.340 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.280 -2.463 -3.556 1.00 0.00 H new ATOM 751 N MET A 53 10.914 -6.751 -2.201 1.00 0.00 N ATOM 752 CA MET A 53 11.127 -8.009 -1.496 1.00 0.00 C ATOM 753 C MET A 53 10.042 -8.237 -0.449 1.00 0.00 C ATOM 754 O MET A 53 9.617 -9.369 -0.218 1.00 0.00 O ATOM 755 CB MET A 53 12.505 -8.019 -0.830 1.00 0.00 C ATOM 756 CG MET A 53 13.607 -8.569 -1.721 1.00 0.00 C ATOM 757 SD MET A 53 14.975 -9.271 -0.779 1.00 0.00 S ATOM 758 CE MET A 53 14.912 -10.979 -1.313 1.00 0.00 C ATOM 0 H MET A 53 11.255 -5.927 -1.706 1.00 0.00 H new ATOM 0 HA MET A 53 11.078 -8.817 -2.226 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.763 -7.003 -0.533 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.455 -8.615 0.081 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.191 -9.335 -2.376 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.983 -7.771 -2.362 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.921 -11.391 -1.334 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.299 -11.555 -0.619 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.478 -11.032 -2.311 1.00 0.00 H new ATOM 768 N VAL A 54 9.597 -7.155 0.181 1.00 0.00 N ATOM 769 CA VAL A 54 8.560 -7.237 1.202 1.00 0.00 C ATOM 770 C VAL A 54 7.251 -7.756 0.617 1.00 0.00 C ATOM 771 O VAL A 54 6.921 -7.477 -0.536 1.00 0.00 O ATOM 772 CB VAL A 54 8.308 -5.867 1.859 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.620 -4.925 0.882 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.486 -6.027 3.128 1.00 0.00 C ATOM 0 H VAL A 54 9.939 -6.211 0.002 1.00 0.00 H new ATOM 0 HA VAL A 54 8.918 -7.934 1.959 1.00 0.00 H new ATOM 0 HB VAL A 54 9.270 -5.431 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.450 -3.962 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.252 -4.786 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.665 -5.352 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.318 -5.049 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.527 -6.484 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.023 -6.663 3.832 1.00 0.00 H new ATOM 784 N VAL A 55 6.509 -8.512 1.419 1.00 0.00 N ATOM 785 CA VAL A 55 5.234 -9.069 0.982 1.00 0.00 C ATOM 786 C VAL A 55 4.205 -9.037 2.106 1.00 0.00 C ATOM 787 O VAL A 55 4.558 -9.014 3.284 1.00 0.00 O ATOM 788 CB VAL A 55 5.395 -10.520 0.490 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.082 -11.041 -0.074 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.504 -10.610 -0.548 1.00 0.00 C ATOM 0 H VAL A 55 6.769 -8.753 2.375 1.00 0.00 H new ATOM 0 HA VAL A 55 4.885 -8.449 0.156 1.00 0.00 H new ATOM 0 HB VAL A 55 5.672 -11.145 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.215 -12.067 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.317 -11.014 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.772 -10.416 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.604 -11.642 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.259 -9.973 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.444 -10.280 -0.106 1.00 0.00 H new ATOM 800 N GLY A 56 2.929 -9.035 1.733 1.00 0.00 N ATOM 801 CA GLY A 56 1.867 -9.006 2.722 1.00 0.00 C ATOM 802 C GLY A 56 0.626 -9.745 2.263 1.00 0.00 C ATOM 803 O GLY A 56 0.274 -9.707 1.083 1.00 0.00 O ATOM 0 H GLY A 56 2.612 -9.053 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.227 -9.449 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.608 -7.970 2.943 1.00 0.00 H new ATOM 807 N ARG A 57 -0.038 -10.420 3.195 1.00 0.00 N ATOM 808 CA ARG A 57 -1.245 -11.173 2.878 1.00 0.00 C ATOM 809 C ARG A 57 -2.489 -10.309 3.064 1.00 0.00 C ATOM 810 O ARG A 57 -2.634 -9.619 4.073 1.00 0.00 O ATOM 811 CB ARG A 57 -1.341 -12.420 3.760 1.00 0.00 C ATOM 812 CG ARG A 57 -0.709 -13.655 3.140 1.00 0.00 C ATOM 813 CD ARG A 57 -1.264 -14.932 3.751 1.00 0.00 C ATOM 814 NE ARG A 57 -0.760 -15.156 5.103 1.00 0.00 N ATOM 815 CZ ARG A 57 -1.467 -15.739 6.064 1.00 0.00 C ATOM 816 NH1 ARG A 57 -2.703 -16.155 5.822 1.00 0.00 N ATOM 817 NH2 ARG A 57 -0.939 -15.908 7.269 1.00 0.00 N ATOM 0 H ARG A 57 0.239 -10.461 4.176 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.188 -11.479 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.858 -12.216 4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.391 -12.626 3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.889 -13.657 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.371 -13.622 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.352 -14.879 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.999 -15.781 3.120 1.00 0.00 H new ATOM 0 HE ARG A 57 0.187 -14.848 5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.112 -16.027 4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.244 -16.603 6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.011 -15.590 7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.483 -16.356 8.006 1.00 0.00 H new ATOM 831 N LEU A 58 -3.384 -10.352 2.083 1.00 0.00 N ATOM 832 CA LEU A 58 -4.617 -9.573 2.137 1.00 0.00 C ATOM 833 C LEU A 58 -5.420 -9.912 3.389 1.00 0.00 C ATOM 834 O LEU A 58 -5.362 -11.034 3.893 1.00 0.00 O ATOM 835 CB LEU A 58 -5.462 -9.832 0.889 1.00 0.00 C ATOM 836 CG LEU A 58 -5.030 -9.095 -0.379 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.354 -9.922 -1.614 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.700 -7.731 -0.458 1.00 0.00 C ATOM 0 H LEU A 58 -3.279 -10.918 1.241 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.350 -8.517 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.453 -10.903 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.494 -9.559 1.110 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.951 -8.946 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.039 -9.381 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.827 -10.875 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.428 -10.103 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.381 -7.221 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.782 -7.858 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.417 -7.136 0.410 1.00 0.00 H new ATOM 850 N THR A 59 -6.172 -8.934 3.885 1.00 0.00 N ATOM 851 CA THR A 59 -6.989 -9.128 5.077 1.00 0.00 C ATOM 852 C THR A 59 -8.438 -9.422 4.708 1.00 0.00 C ATOM 853 O THR A 59 -9.349 -9.211 5.510 1.00 0.00 O ATOM 854 CB THR A 59 -6.945 -7.892 5.995 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.586 -6.783 5.355 1.00 0.00 O ATOM 856 CG2 THR A 59 -5.510 -7.525 6.340 1.00 0.00 C ATOM 0 H THR A 59 -6.232 -8.000 3.480 1.00 0.00 H new ATOM 0 HA THR A 59 -6.573 -9.982 5.610 1.00 0.00 H new ATOM 0 HB THR A 59 -7.473 -8.133 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.071 -6.519 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.504 -6.649 6.989 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.034 -8.360 6.854 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.961 -7.302 5.425 1.00 0.00 H new ATOM 864 N LYS A 60 -8.647 -9.912 3.491 1.00 0.00 N ATOM 865 CA LYS A 60 -9.986 -10.238 3.016 1.00 0.00 C ATOM 866 C LYS A 60 -10.059 -11.687 2.545 1.00 0.00 C ATOM 867 O LYS A 60 -10.947 -12.438 2.949 1.00 0.00 O ATOM 868 CB LYS A 60 -10.387 -9.300 1.876 1.00 0.00 C ATOM 869 CG LYS A 60 -11.883 -9.049 1.793 1.00 0.00 C ATOM 870 CD LYS A 60 -12.576 -10.089 0.929 1.00 0.00 C ATOM 871 CE LYS A 60 -13.930 -9.597 0.442 1.00 0.00 C ATOM 872 NZ LYS A 60 -15.015 -9.903 1.416 1.00 0.00 N ATOM 0 H LYS A 60 -7.905 -10.092 2.815 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.680 -10.109 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.874 -8.347 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.045 -9.723 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.311 -9.063 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.064 -8.055 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.946 -10.330 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.706 -11.009 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.886 -8.521 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.161 -10.061 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.922 -9.552 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.074 -10.932 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.808 -9.440 2.324 1.00 0.00 H new ATOM 886 N CYS A 61 -9.118 -12.075 1.690 1.00 0.00 N ATOM 887 CA CYS A 61 -9.074 -13.434 1.165 1.00 0.00 C ATOM 888 C CYS A 61 -7.863 -14.187 1.706 1.00 0.00 C ATOM 889 O CYS A 61 -7.734 -15.397 1.515 1.00 0.00 O ATOM 890 CB CYS A 61 -9.033 -13.411 -0.365 1.00 0.00 C ATOM 891 SG CYS A 61 -7.479 -12.757 -1.056 1.00 0.00 S ATOM 0 H CYS A 61 -8.375 -11.466 1.346 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.976 -13.952 1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.186 -14.424 -0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.864 -12.808 -0.731 1.00 0.00 H new ATOM 0 HG CYS A 61 -7.357 -11.502 -0.739 1.00 0.00 H new ATOM 896 N SER A 62 -6.976 -13.464 2.383 1.00 0.00 N ATOM 897 CA SER A 62 -5.773 -14.062 2.949 1.00 0.00 C ATOM 898 C SER A 62 -4.875 -14.620 1.850 1.00 0.00 C ATOM 899 O SER A 62 -4.462 -15.780 1.898 1.00 0.00 O ATOM 900 CB SER A 62 -6.146 -15.174 3.932 1.00 0.00 C ATOM 901 OG SER A 62 -6.488 -14.641 5.200 1.00 0.00 O ATOM 0 H SER A 62 -7.068 -12.462 2.553 1.00 0.00 H new ATOM 0 HA SER A 62 -5.226 -13.284 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.985 -15.747 3.537 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.310 -15.865 4.038 1.00 0.00 H new ATOM 0 HG SER A 62 -6.724 -15.372 5.809 1.00 0.00 H new ATOM 907 N HIS A 63 -4.576 -13.787 0.858 1.00 0.00 N ATOM 908 CA HIS A 63 -3.726 -14.195 -0.254 1.00 0.00 C ATOM 909 C HIS A 63 -2.454 -13.354 -0.303 1.00 0.00 C ATOM 910 O HIS A 63 -2.507 -12.143 -0.514 1.00 0.00 O ATOM 911 CB HIS A 63 -4.484 -14.071 -1.576 1.00 0.00 C ATOM 912 CG HIS A 63 -5.495 -15.155 -1.791 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.136 -15.359 -2.995 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.972 -16.100 -0.948 1.00 0.00 C ATOM 915 CE1 HIS A 63 -6.965 -16.381 -2.882 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.884 -16.849 -1.650 1.00 0.00 N ATOM 0 H HIS A 63 -4.910 -12.825 0.802 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.446 -15.237 -0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.987 -13.105 -1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.769 -14.085 -2.398 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.688 -16.239 0.085 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.601 -16.768 -3.664 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.413 -17.639 -1.280 1.00 0.00 H new ATOM 924 N ALA A 64 -1.312 -14.005 -0.106 1.00 0.00 N ATOM 925 CA ALA A 64 -0.027 -13.318 -0.129 1.00 0.00 C ATOM 926 C ALA A 64 0.233 -12.685 -1.492 1.00 0.00 C ATOM 927 O ALA A 64 -0.105 -13.258 -2.528 1.00 0.00 O ATOM 928 CB ALA A 64 1.094 -14.282 0.230 1.00 0.00 C ATOM 0 H ALA A 64 -1.251 -15.008 0.071 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.056 -12.520 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.048 -13.755 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.923 -14.683 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.115 -15.100 -0.490 1.00 0.00 H new ATOM 934 N PHE A 65 0.836 -11.501 -1.484 1.00 0.00 N ATOM 935 CA PHE A 65 1.139 -10.789 -2.720 1.00 0.00 C ATOM 936 C PHE A 65 2.181 -9.701 -2.480 1.00 0.00 C ATOM 937 O PHE A 65 2.126 -8.982 -1.482 1.00 0.00 O ATOM 938 CB PHE A 65 -0.133 -10.172 -3.305 1.00 0.00 C ATOM 939 CG PHE A 65 -0.890 -11.103 -4.208 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.479 -11.308 -5.515 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.014 -11.773 -3.750 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.174 -12.165 -6.349 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.712 -12.630 -4.579 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.292 -12.826 -5.880 1.00 0.00 C ATOM 0 H PHE A 65 1.125 -11.014 -0.635 1.00 0.00 H new ATOM 0 HA PHE A 65 1.546 -11.507 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.785 -9.860 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.132 -9.273 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.394 -10.793 -5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.348 -11.623 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.843 -12.317 -7.366 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.586 -13.146 -4.210 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.837 -13.495 -6.529 1.00 0.00 H new ATOM 954 N HIS A 66 3.133 -9.587 -3.401 1.00 0.00 N ATOM 955 CA HIS A 66 4.188 -8.586 -3.290 1.00 0.00 C ATOM 956 C HIS A 66 3.599 -7.196 -3.074 1.00 0.00 C ATOM 957 O HIS A 66 3.071 -6.582 -4.002 1.00 0.00 O ATOM 958 CB HIS A 66 5.061 -8.593 -4.546 1.00 0.00 C ATOM 959 CG HIS A 66 5.962 -9.786 -4.643 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.628 -10.927 -5.340 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.193 -10.009 -4.127 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.613 -11.802 -5.247 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.576 -11.269 -4.516 1.00 0.00 N ATOM 0 H HIS A 66 3.195 -10.175 -4.232 1.00 0.00 H new ATOM 0 HA HIS A 66 4.804 -8.838 -2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.418 -8.561 -5.426 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.668 -7.688 -4.562 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.756 -11.073 -5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.767 -9.323 -3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.629 -12.786 -5.693 1.00 0.00 H new ATOM 971 N LEU A 67 3.691 -6.705 -1.843 1.00 0.00 N ATOM 972 CA LEU A 67 3.166 -5.387 -1.504 1.00 0.00 C ATOM 973 C LEU A 67 3.448 -4.385 -2.619 1.00 0.00 C ATOM 974 O LEU A 67 2.708 -3.417 -2.801 1.00 0.00 O ATOM 975 CB LEU A 67 3.780 -4.893 -0.193 1.00 0.00 C ATOM 976 CG LEU A 67 3.529 -5.768 1.037 1.00 0.00 C ATOM 977 CD1 LEU A 67 4.171 -5.151 2.270 1.00 0.00 C ATOM 978 CD2 LEU A 67 2.036 -5.967 1.254 1.00 0.00 C ATOM 0 H LEU A 67 4.124 -7.200 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 67 2.086 -5.474 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.857 -4.797 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.395 -3.894 0.012 1.00 0.00 H new ATOM 0 HG LEU A 67 3.984 -6.743 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.982 -5.787 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.246 -5.060 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.745 -4.163 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.876 -6.592 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.558 -4.999 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.603 -6.453 0.380 1.00 0.00 H new ATOM 990 N LEU A 68 4.521 -4.624 -3.364 1.00 0.00 N ATOM 991 CA LEU A 68 4.900 -3.744 -4.464 1.00 0.00 C ATOM 992 C LEU A 68 4.054 -4.024 -5.702 1.00 0.00 C ATOM 993 O LEU A 68 3.474 -3.111 -6.290 1.00 0.00 O ATOM 994 CB LEU A 68 6.383 -3.919 -4.796 1.00 0.00 C ATOM 995 CG LEU A 68 6.959 -2.951 -5.831 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.276 -1.610 -5.188 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.202 -3.542 -6.480 1.00 0.00 C ATOM 0 H LEU A 68 5.144 -5.420 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 68 4.723 -2.715 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.956 -3.816 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.537 -4.937 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 68 6.211 -2.790 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.685 -0.934 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.364 -1.181 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.007 -1.752 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.598 -2.840 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.956 -3.733 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.944 -4.478 -6.976 1.00 0.00 H new ATOM 1009 N CYS A 69 3.986 -5.292 -6.091 1.00 0.00 N ATOM 1010 CA CYS A 69 3.209 -5.695 -7.258 1.00 0.00 C ATOM 1011 C CYS A 69 1.790 -5.138 -7.185 1.00 0.00 C ATOM 1012 O CYS A 69 1.346 -4.420 -8.082 1.00 0.00 O ATOM 1013 CB CYS A 69 3.166 -7.220 -7.366 1.00 0.00 C ATOM 1014 SG CYS A 69 4.733 -7.972 -7.912 1.00 0.00 S ATOM 0 H CYS A 69 4.460 -6.060 -5.615 1.00 0.00 H new ATOM 0 HA CYS A 69 3.695 -5.289 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.895 -7.635 -6.395 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.378 -7.502 -8.064 1.00 0.00 H new ATOM 0 HG CYS A 69 5.686 -7.091 -7.839 1.00 0.00 H new ATOM 1019 N LEU A 70 1.084 -5.473 -6.111 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.285 -5.007 -5.919 1.00 0.00 C ATOM 1021 C LEU A 70 -0.423 -3.543 -6.326 1.00 0.00 C ATOM 1022 O LEU A 70 -1.402 -3.155 -6.965 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.705 -5.184 -4.459 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.742 -6.623 -3.942 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.922 -6.642 -2.432 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -1.855 -7.406 -4.623 1.00 0.00 C ATOM 0 H LEU A 70 1.437 -6.066 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.939 -5.605 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.021 -4.611 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.695 -4.747 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 70 0.209 -7.100 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.946 -7.674 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.091 -6.118 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.858 -6.148 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.866 -8.428 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.814 -6.931 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.683 -7.421 -5.699 1.00 0.00 H new ATOM 1038 N LEU A 71 0.563 -2.735 -5.953 1.00 0.00 N ATOM 1039 CA LEU A 71 0.553 -1.313 -6.281 1.00 0.00 C ATOM 1040 C LEU A 71 0.631 -1.102 -7.789 1.00 0.00 C ATOM 1041 O LEU A 71 -0.105 -0.292 -8.352 1.00 0.00 O ATOM 1042 CB LEU A 71 1.720 -0.603 -5.593 1.00 0.00 C ATOM 1043 CG LEU A 71 1.672 0.926 -5.599 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.846 1.438 -4.429 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.079 1.503 -5.554 1.00 0.00 C ATOM 0 H LEU A 71 1.380 -3.040 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.385 -0.888 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.766 -0.941 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.646 -0.920 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 71 1.196 1.253 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.823 2.528 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.171 1.052 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.293 1.102 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.026 2.592 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.581 1.168 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.640 1.163 -6.425 1.00 0.00 H new ATOM 1057 N ALA A 72 1.528 -1.837 -8.439 1.00 0.00 N ATOM 1058 CA ALA A 72 1.700 -1.733 -9.882 1.00 0.00 C ATOM 1059 C ALA A 72 0.408 -2.080 -10.615 1.00 0.00 C ATOM 1060 O ALA A 72 -0.101 -1.285 -11.405 1.00 0.00 O ATOM 1061 CB ALA A 72 2.831 -2.638 -10.346 1.00 0.00 C ATOM 0 H ALA A 72 2.147 -2.511 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 72 1.956 -0.700 -10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.948 -2.550 -11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.758 -2.342 -9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.599 -3.672 -10.089 1.00 0.00 H new ATOM 1067 N MET A 73 -0.116 -3.271 -10.349 1.00 0.00 N ATOM 1068 CA MET A 73 -1.349 -3.722 -10.984 1.00 0.00 C ATOM 1069 C MET A 73 -2.488 -2.743 -10.717 1.00 0.00 C ATOM 1070 O MET A 73 -3.250 -2.401 -11.621 1.00 0.00 O ATOM 1071 CB MET A 73 -1.729 -5.115 -10.477 1.00 0.00 C ATOM 1072 CG MET A 73 -2.913 -5.726 -11.209 1.00 0.00 C ATOM 1073 SD MET A 73 -4.497 -5.166 -10.555 1.00 0.00 S ATOM 1074 CE MET A 73 -4.481 -5.923 -8.932 1.00 0.00 C ATOM 0 H MET A 73 0.293 -3.941 -9.698 1.00 0.00 H new ATOM 0 HA MET A 73 -1.178 -3.769 -12.060 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.869 -5.777 -10.578 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.961 -5.055 -9.414 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.851 -5.473 -12.267 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.858 -6.812 -11.138 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.220 -6.723 -8.896 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.491 -6.334 -8.732 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.721 -5.173 -8.178 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.598 -2.296 -9.471 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.645 -1.359 -9.085 1.00 0.00 C ATOM 1086 C TYR A 74 -3.710 -0.184 -10.056 1.00 0.00 C ATOM 1087 O TYR A 74 -4.790 0.321 -10.365 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.402 -0.847 -7.664 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.081 0.472 -7.371 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -5.439 0.527 -7.081 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -3.365 1.663 -7.385 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -6.064 1.730 -6.813 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -3.981 2.870 -7.117 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.331 2.898 -6.832 1.00 0.00 C ATOM 1095 OH TYR A 74 -5.948 4.099 -6.566 1.00 0.00 O ATOM 0 H TYR A 74 -1.974 -2.568 -8.711 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.598 -1.886 -9.116 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.755 -1.594 -6.953 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.329 -0.737 -7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.016 -0.386 -7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.309 1.645 -7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.120 1.755 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.410 3.786 -7.130 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.290 4.824 -6.619 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.547 0.245 -10.534 1.00 0.00 N ATOM 1106 CA CYS A 75 -2.470 1.360 -11.471 1.00 0.00 C ATOM 1107 C CYS A 75 -3.254 1.056 -12.743 1.00 0.00 C ATOM 1108 O CYS A 75 -4.061 1.868 -13.195 1.00 0.00 O ATOM 1109 CB CYS A 75 -1.011 1.663 -11.816 1.00 0.00 C ATOM 1110 SG CYS A 75 -0.778 3.182 -12.768 1.00 0.00 S ATOM 0 H CYS A 75 -1.645 -0.162 -10.288 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.912 2.235 -10.994 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.438 1.735 -10.892 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.601 0.826 -12.381 1.00 0.00 H new ATOM 0 HG CYS A 75 0.488 3.353 -13.009 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.320 4.236 -5.263 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.176 3.970 -3.844 1.00 0.00 C ATOM 1187 C GLY A 81 -9.591 2.561 -3.473 1.00 0.00 C ATOM 1188 O GLY A 81 -10.296 2.354 -2.485 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.138 4.129 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.778 4.683 -3.281 1.00 0.00 H new ATOM 1192 N SER A 82 -9.156 1.588 -4.268 1.00 0.00 N ATOM 1193 CA SER A 82 -9.491 0.191 -4.020 1.00 0.00 C ATOM 1194 C SER A 82 -8.411 -0.733 -4.575 1.00 0.00 C ATOM 1195 O SER A 82 -7.477 -0.286 -5.241 1.00 0.00 O ATOM 1196 CB SER A 82 -10.843 -0.150 -4.650 1.00 0.00 C ATOM 1197 OG SER A 82 -11.899 0.526 -3.990 1.00 0.00 O ATOM 0 H SER A 82 -8.571 1.742 -5.089 1.00 0.00 H new ATOM 0 HA SER A 82 -9.553 0.043 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.835 0.124 -5.705 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.009 -1.226 -4.601 1.00 0.00 H new ATOM 0 HG SER A 82 -11.529 1.116 -3.300 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.546 -2.025 -4.295 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.583 -3.014 -4.765 1.00 0.00 C ATOM 1205 C LEU A 83 -8.249 -4.372 -4.962 1.00 0.00 C ATOM 1206 O LEU A 83 -8.829 -4.930 -4.030 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.426 -3.139 -3.773 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.217 -3.947 -4.250 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.630 -5.368 -4.600 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.561 -3.270 -5.444 1.00 0.00 C ATOM 0 H LEU A 83 -9.313 -2.412 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.194 -2.678 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.088 -2.136 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.805 -3.596 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.490 -3.991 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.758 -5.928 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.053 -5.851 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.376 -5.345 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.703 -3.858 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.280 -3.194 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.229 -2.272 -5.159 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.160 -4.899 -6.178 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.753 -6.193 -6.496 1.00 0.00 C ATOM 1224 C GLN A 84 -7.683 -7.278 -6.573 1.00 0.00 C ATOM 1225 O GLN A 84 -6.560 -7.027 -7.010 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.515 -6.117 -7.819 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.168 -7.430 -8.222 1.00 0.00 C ATOM 1228 CD GLN A 84 -10.909 -7.334 -9.540 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -11.223 -6.240 -10.011 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -11.193 -8.481 -10.145 1.00 0.00 N ATOM 0 H GLN A 84 -7.683 -4.450 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.450 -6.451 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.283 -5.347 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.829 -5.805 -8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.404 -8.204 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.862 -7.740 -7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.914 -9.365 -9.719 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.690 -8.478 -11.036 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.040 -8.484 -6.145 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.111 -9.608 -6.165 1.00 0.00 C ATOM 1241 C CYS A 85 -7.105 -10.285 -7.532 1.00 0.00 C ATOM 1242 O CYS A 85 -8.121 -10.798 -8.003 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.484 -10.623 -5.082 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.184 -11.851 -4.735 1.00 0.00 S ATOM 0 H CYS A 85 -8.966 -8.708 -5.780 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.110 -9.224 -5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.718 -10.087 -4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.391 -11.146 -5.386 1.00 0.00 H new ATOM 0 HG CYS A 85 -5.016 -11.314 -4.931 1.00 0.00 H new ATOM 1249 N PRO A 86 -5.934 -10.289 -8.185 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.767 -10.901 -9.507 1.00 0.00 C ATOM 1251 C PRO A 86 -5.856 -12.422 -9.457 1.00 0.00 C ATOM 1252 O PRO A 86 -5.671 -13.098 -10.469 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.362 -10.461 -9.926 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.645 -10.210 -8.645 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.682 -9.697 -7.684 1.00 0.00 C ATOM 0 HA PRO A 86 -6.550 -10.593 -10.201 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.864 -11.233 -10.513 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.396 -9.563 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.184 -11.124 -8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.845 -9.482 -8.781 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.471 -10.009 -6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.725 -8.608 -7.683 1.00 0.00 H new ATOM 1263 N SER A 87 -6.141 -12.955 -8.273 1.00 0.00 N ATOM 1264 CA SER A 87 -6.251 -14.398 -8.091 1.00 0.00 C ATOM 1265 C SER A 87 -7.710 -14.817 -7.945 1.00 0.00 C ATOM 1266 O SER A 87 -8.303 -15.379 -8.867 1.00 0.00 O ATOM 1267 CB SER A 87 -5.456 -14.840 -6.861 1.00 0.00 C ATOM 1268 OG SER A 87 -4.179 -15.332 -7.229 1.00 0.00 O ATOM 0 H SER A 87 -6.300 -12.410 -7.426 1.00 0.00 H new ATOM 0 HA SER A 87 -5.838 -14.884 -8.975 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.342 -13.999 -6.176 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.007 -15.614 -6.327 1.00 0.00 H new ATOM 0 HG SER A 87 -3.690 -15.606 -6.425 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.285 -14.540 -6.780 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.675 -14.887 -6.510 1.00 0.00 C ATOM 1276 C CYS A 88 -10.621 -13.850 -7.107 1.00 0.00 C ATOM 1277 O CYS A 88 -11.842 -13.998 -7.047 1.00 0.00 O ATOM 1278 CB CYS A 88 -9.911 -15.001 -5.003 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.488 -13.495 -4.069 1.00 0.00 S ATOM 0 H CYS A 88 -7.809 -14.075 -6.007 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.879 -15.851 -6.977 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -10.959 -15.242 -4.827 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.323 -15.833 -4.616 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.287 -13.111 -4.386 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.049 -12.798 -7.685 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.839 -11.736 -8.295 1.00 0.00 C ATOM 1286 C LYS A 89 -11.744 -11.070 -7.263 1.00 0.00 C ATOM 1287 O LYS A 89 -12.939 -10.887 -7.496 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.682 -12.294 -9.444 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.881 -13.108 -10.446 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.120 -12.213 -11.409 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.062 -12.993 -12.176 1.00 0.00 C ATOM 1292 NZ LYS A 89 -7.934 -12.121 -12.606 1.00 0.00 N ATOM 0 H LYS A 89 -9.040 -12.659 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.152 -10.986 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.475 -12.918 -9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.165 -11.467 -9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.180 -13.752 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.552 -13.760 -11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.817 -11.756 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.646 -11.402 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.680 -13.799 -11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.516 -13.457 -13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.704 -12.316 -13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.208 -11.123 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.101 -12.314 -12.014 1.00 0.00 H new ATOM 1306 N THR A 90 -11.166 -10.706 -6.122 1.00 0.00 N ATOM 1307 CA THR A 90 -11.920 -10.060 -5.056 1.00 0.00 C ATOM 1308 C THR A 90 -11.557 -8.584 -4.942 1.00 0.00 C ATOM 1309 O THR A 90 -10.395 -8.236 -4.730 1.00 0.00 O ATOM 1310 CB THR A 90 -11.672 -10.745 -3.698 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.230 -12.064 -3.706 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.285 -9.936 -2.565 1.00 0.00 C ATOM 0 H THR A 90 -10.178 -10.848 -5.913 1.00 0.00 H new ATOM 0 HA THR A 90 -12.975 -10.153 -5.314 1.00 0.00 H new ATOM 0 HB THR A 90 -10.596 -10.807 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.514 -12.721 -3.833 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.097 -10.439 -1.616 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.838 -8.942 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.360 -9.847 -2.722 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.557 -7.721 -5.082 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.342 -6.282 -4.993 1.00 0.00 C ATOM 1322 C ILE A 91 -12.348 -5.814 -3.542 1.00 0.00 C ATOM 1323 O ILE A 91 -13.177 -6.248 -2.742 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.415 -5.503 -5.776 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.447 -5.962 -7.235 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.150 -4.007 -5.692 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -14.441 -7.072 -7.497 1.00 0.00 C ATOM 0 H ILE A 91 -13.524 -7.993 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.365 -6.081 -5.433 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.388 -5.706 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.690 -5.110 -7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.452 -6.301 -7.523 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -13.917 -3.470 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.173 -3.692 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.171 -3.787 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.410 -7.347 -8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -14.187 -7.939 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.444 -6.730 -7.241 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.418 -4.926 -3.209 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.315 -4.399 -1.853 1.00 0.00 C ATOM 1341 C TYR A 92 -11.728 -2.931 -1.806 1.00 0.00 C ATOM 1342 O TYR A 92 -11.037 -2.062 -2.336 1.00 0.00 O ATOM 1343 CB TYR A 92 -9.886 -4.555 -1.330 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.478 -5.993 -1.106 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.707 -6.961 -2.076 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -8.863 -6.385 0.077 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.336 -8.276 -1.875 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.487 -7.698 0.286 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.726 -8.640 -0.693 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.354 -9.949 -0.488 1.00 0.00 O ATOM 0 H TYR A 92 -10.725 -4.556 -3.859 1.00 0.00 H new ATOM 0 HA TYR A 92 -11.992 -4.969 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.196 -4.096 -2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.789 -4.008 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.184 -6.680 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.676 -5.651 0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.523 -9.016 -2.640 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.009 -7.985 1.211 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.772 -10.518 -1.168 1.00 0.00 H new