USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=26 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 -110:sc= -3.11! USER MOD Set 1.2: A 63 HIS : no HD1:sc= -3.53! C(o=-7.1!,f=-11!) USER MOD Set 1.3: A 85 CYS SG : rot 172:sc= -0.43 USER MOD Set 1.4: A 87 SER OG : rot -170:sc= 0.00157 USER MOD Set 1.5: A 88 CYS SG : rot -118:sc= 1.75 USER MOD Set 1.6: A 90 THR OG1 : rot 90:sc= 0.995 USER MOD Set 1.7: A 92 TYR OH : rot -17:sc= -2.73! USER MOD Set 2.1: A 28 CYS SG : rot 123:sc= 0.281 USER MOD Set 2.2: A 31 CYS SG : rot -73:sc= -0.24! USER MOD Set 2.3: A 39 SER OG : rot 71:sc= 1.09 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -3.01 K(o=-1.9,f=-8.3!) USER MOD Set 2.5: A 69 CYS SG : rot -67:sc= -0.0667 USER MOD Single : A 11 GLN : amide:sc= -2.69 K(o=-2.7,f=-13!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -67:sc= -0.832 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -98:sc= 0.217 USER MOD Single : A 44 MET CE :methyl -139:sc= -0.0139 (180deg=-0.793) USER MOD Single : A 45 THR OG1 : rot 35:sc= 0.0108 USER MOD Single : A 47 SER OG : rot -29:sc= -1.39 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -120:sc= -0.551 (180deg=-1.62!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0.157 (180deg=0.124) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 131:sc= -0.918 (180deg=-3.73!) 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 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.105 K(o=-0.11,f=-2!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.277 8.520 -0.946 1.00 0.00 N ATOM 67 CA GLU A 8 -2.351 7.812 -1.823 1.00 0.00 C ATOM 68 C GLU A 8 -2.667 6.320 -1.857 1.00 0.00 C ATOM 69 O GLU A 8 -3.240 5.760 -0.922 1.00 0.00 O ATOM 70 CB GLU A 8 -0.909 8.029 -1.361 1.00 0.00 C ATOM 71 CG GLU A 8 -0.415 9.453 -1.556 1.00 0.00 C ATOM 72 CD GLU A 8 0.992 9.659 -1.030 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.242 9.314 0.144 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.842 10.166 -1.791 1.00 0.00 O ATOM 0 HA GLU A 8 -2.466 8.213 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.831 7.768 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.255 7.349 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.442 9.701 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.092 10.141 -1.050 1.00 0.00 H new ATOM 81 N PRO A 9 -2.285 5.659 -2.960 1.00 0.00 N ATOM 82 CA PRO A 9 -2.517 4.223 -3.142 1.00 0.00 C ATOM 83 C PRO A 9 -1.653 3.374 -2.216 1.00 0.00 C ATOM 84 O PRO A 9 -2.066 2.300 -1.781 1.00 0.00 O ATOM 85 CB PRO A 9 -2.129 3.985 -4.604 1.00 0.00 C ATOM 86 CG PRO A 9 -1.162 5.072 -4.921 1.00 0.00 C ATOM 87 CD PRO A 9 -1.598 6.263 -4.113 1.00 0.00 C ATOM 0 HA PRO A 9 -3.544 3.942 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.678 3.002 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.001 4.028 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.145 4.777 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.167 5.300 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.748 6.870 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.263 6.913 -4.682 1.00 0.00 H new ATOM 95 N GLU A 10 -0.453 3.864 -1.920 1.00 0.00 N ATOM 96 CA GLU A 10 0.468 3.148 -1.045 1.00 0.00 C ATOM 97 C GLU A 10 -0.249 2.642 0.203 1.00 0.00 C ATOM 98 O GLU A 10 -0.071 1.495 0.611 1.00 0.00 O ATOM 99 CB GLU A 10 1.634 4.054 -0.644 1.00 0.00 C ATOM 100 CG GLU A 10 2.650 3.376 0.259 1.00 0.00 C ATOM 101 CD GLU A 10 3.378 4.357 1.158 1.00 0.00 C ATOM 102 OE1 GLU A 10 3.596 5.508 0.727 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.729 3.972 2.293 1.00 0.00 O ATOM 0 H GLU A 10 -0.096 4.752 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 10 0.856 2.290 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.138 4.404 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.241 4.935 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.144 2.632 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.377 2.843 -0.354 1.00 0.00 H new ATOM 110 N GLN A 11 -1.060 3.507 0.805 1.00 0.00 N ATOM 111 CA GLN A 11 -1.803 3.148 2.007 1.00 0.00 C ATOM 112 C GLN A 11 -2.920 2.163 1.682 1.00 0.00 C ATOM 113 O GLN A 11 -3.123 1.180 2.396 1.00 0.00 O ATOM 114 CB GLN A 11 -2.385 4.400 2.665 1.00 0.00 C ATOM 115 CG GLN A 11 -1.332 5.414 3.083 1.00 0.00 C ATOM 116 CD GLN A 11 -1.020 6.416 1.989 1.00 0.00 C ATOM 117 OE1 GLN A 11 -0.351 6.092 1.007 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.504 7.641 2.152 1.00 0.00 N ATOM 0 H GLN A 11 -1.219 4.461 0.480 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.113 2.669 2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.080 4.875 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.961 4.105 3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.677 5.946 3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.418 4.889 3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.054 7.866 2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.326 8.357 1.448 1.00 0.00 H new ATOM 127 N VAL A 12 -3.645 2.432 0.601 1.00 0.00 N ATOM 128 CA VAL A 12 -4.742 1.569 0.181 1.00 0.00 C ATOM 129 C VAL A 12 -4.296 0.114 0.097 1.00 0.00 C ATOM 130 O VAL A 12 -5.025 -0.794 0.498 1.00 0.00 O ATOM 131 CB VAL A 12 -5.305 2.001 -1.186 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.447 1.089 -1.606 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.759 3.452 -1.140 1.00 0.00 C ATOM 0 H VAL A 12 -3.492 3.242 -0.000 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.524 1.663 0.934 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.512 1.916 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.832 1.410 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.085 0.064 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.244 1.139 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.154 3.741 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.537 3.566 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.912 4.090 -0.888 1.00 0.00 H new ATOM 143 N ILE A 13 -3.093 -0.101 -0.425 1.00 0.00 N ATOM 144 CA ILE A 13 -2.549 -1.447 -0.560 1.00 0.00 C ATOM 145 C ILE A 13 -2.413 -2.123 0.800 1.00 0.00 C ATOM 146 O ILE A 13 -3.028 -3.159 1.053 1.00 0.00 O ATOM 147 CB ILE A 13 -1.173 -1.430 -1.252 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.293 -0.841 -2.659 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.592 -2.835 -1.309 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.279 -1.575 -3.540 1.00 0.00 C ATOM 0 H ILE A 13 -2.477 0.639 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.250 -2.011 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.498 -0.801 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.595 0.204 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.312 -0.855 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.380 -2.807 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.476 -3.222 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.264 -3.484 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.312 -1.102 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.967 -2.614 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.269 -1.538 -3.086 1.00 0.00 H new ATOM 162 N ARG A 14 -1.604 -1.530 1.672 1.00 0.00 N ATOM 163 CA ARG A 14 -1.388 -2.075 3.007 1.00 0.00 C ATOM 164 C ARG A 14 -2.712 -2.239 3.748 1.00 0.00 C ATOM 165 O ARG A 14 -2.932 -3.237 4.435 1.00 0.00 O ATOM 166 CB ARG A 14 -0.453 -1.166 3.806 1.00 0.00 C ATOM 167 CG ARG A 14 0.904 -0.961 3.152 1.00 0.00 C ATOM 168 CD ARG A 14 1.778 -2.198 3.284 1.00 0.00 C ATOM 169 NE ARG A 14 3.193 -1.891 3.094 1.00 0.00 N ATOM 170 CZ ARG A 14 3.926 -1.225 3.980 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.381 -0.800 5.111 1.00 0.00 N ATOM 172 NH2 ARG A 14 5.208 -0.984 3.735 1.00 0.00 N ATOM 0 H ARG A 14 -1.087 -0.672 1.478 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.927 -3.057 2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.932 -0.196 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.308 -1.591 4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.768 -0.721 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.405 -0.109 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.632 -2.641 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.467 -2.942 2.551 1.00 0.00 H new ATOM 0 HE ARG A 14 3.643 -2.205 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.396 -0.984 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.946 -0.289 5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.631 -1.310 2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.770 -0.473 4.416 1.00 0.00 H new ATOM 186 N LYS A 15 -3.591 -1.253 3.604 1.00 0.00 N ATOM 187 CA LYS A 15 -4.893 -1.287 4.258 1.00 0.00 C ATOM 188 C LYS A 15 -5.591 -2.621 4.011 1.00 0.00 C ATOM 189 O LYS A 15 -6.334 -3.111 4.863 1.00 0.00 O ATOM 190 CB LYS A 15 -5.770 -0.139 3.753 1.00 0.00 C ATOM 191 CG LYS A 15 -7.151 -0.105 4.386 1.00 0.00 C ATOM 192 CD LYS A 15 -7.877 1.192 4.070 1.00 0.00 C ATOM 193 CE LYS A 15 -9.268 1.216 4.685 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.844 2.589 4.700 1.00 0.00 N ATOM 0 H LYS A 15 -3.425 -0.420 3.040 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.737 -1.172 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.265 0.807 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.877 -0.223 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.739 -0.949 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.060 -0.218 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.297 2.035 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.954 1.313 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.925 0.553 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.222 0.830 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.792 2.563 5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.230 3.217 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.912 2.947 3.726 1.00 0.00 H new ATOM 208 N TYR A 16 -5.348 -3.203 2.843 1.00 0.00 N ATOM 209 CA TYR A 16 -5.954 -4.480 2.484 1.00 0.00 C ATOM 210 C TYR A 16 -4.954 -5.621 2.642 1.00 0.00 C ATOM 211 O TYR A 16 -5.333 -6.766 2.892 1.00 0.00 O ATOM 212 CB TYR A 16 -6.473 -4.436 1.046 1.00 0.00 C ATOM 213 CG TYR A 16 -7.515 -3.366 0.810 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.606 -3.233 1.659 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.407 -2.488 -0.262 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.561 -2.257 1.446 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.356 -1.509 -0.481 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.431 -1.398 0.376 1.00 0.00 C ATOM 219 OH TYR A 16 -10.380 -0.424 0.161 1.00 0.00 O ATOM 0 H TYR A 16 -4.735 -2.811 2.128 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.791 -4.659 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.634 -4.269 0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.898 -5.407 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.710 -3.903 2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.567 -2.573 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.405 -2.168 2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.257 -0.834 -1.318 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.140 0.097 -0.633 1.00 0.00 H new ATOM 229 N THR A 17 -3.672 -5.301 2.494 1.00 0.00 N ATOM 230 CA THR A 17 -2.616 -6.297 2.619 1.00 0.00 C ATOM 231 C THR A 17 -1.774 -6.053 3.866 1.00 0.00 C ATOM 232 O THR A 17 -1.290 -4.944 4.091 1.00 0.00 O ATOM 233 CB THR A 17 -1.695 -6.298 1.384 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.039 -5.031 1.262 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.488 -6.589 0.119 1.00 0.00 C ATOM 0 H THR A 17 -3.340 -4.359 2.287 1.00 0.00 H new ATOM 0 HA THR A 17 -3.106 -7.268 2.699 1.00 0.00 H new ATOM 0 HB THR A 17 -0.949 -7.082 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.701 -4.339 1.055 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.817 -6.585 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.963 -7.567 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.253 -5.825 -0.015 1.00 0.00 H new ATOM 243 N GLU A 18 -1.604 -7.096 4.673 1.00 0.00 N ATOM 244 CA GLU A 18 -0.820 -6.992 5.899 1.00 0.00 C ATOM 245 C GLU A 18 0.540 -7.664 5.732 1.00 0.00 C ATOM 246 O GLU A 18 0.626 -8.820 5.322 1.00 0.00 O ATOM 247 CB GLU A 18 -1.575 -7.627 7.068 1.00 0.00 C ATOM 248 CG GLU A 18 -1.078 -7.174 8.431 1.00 0.00 C ATOM 249 CD GLU A 18 -1.664 -5.841 8.852 1.00 0.00 C ATOM 250 OE1 GLU A 18 -1.673 -4.907 8.023 1.00 0.00 O ATOM 251 OE2 GLU A 18 -2.115 -5.731 10.012 1.00 0.00 O ATOM 0 H GLU A 18 -1.998 -8.021 4.501 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.660 -5.935 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.634 -7.387 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.487 -8.711 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.331 -7.929 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.009 -7.098 8.410 1.00 0.00 H new ATOM 258 N GLU A 19 1.600 -6.928 6.054 1.00 0.00 N ATOM 259 CA GLU A 19 2.956 -7.452 5.938 1.00 0.00 C ATOM 260 C GLU A 19 3.172 -8.618 6.898 1.00 0.00 C ATOM 261 O GLU A 19 2.961 -8.492 8.105 1.00 0.00 O ATOM 262 CB GLU A 19 3.978 -6.349 6.221 1.00 0.00 C ATOM 263 CG GLU A 19 5.410 -6.753 5.913 1.00 0.00 C ATOM 264 CD GLU A 19 6.425 -5.963 6.716 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.213 -4.748 6.911 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.432 -6.561 7.151 1.00 0.00 O ATOM 0 H GLU A 19 1.546 -5.969 6.397 1.00 0.00 H new ATOM 0 HA GLU A 19 3.093 -7.812 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.723 -5.469 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.908 -6.061 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.536 -7.816 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.603 -6.610 4.850 1.00 0.00 H new ATOM 273 N LEU A 20 3.593 -9.755 6.353 1.00 0.00 N ATOM 274 CA LEU A 20 3.837 -10.945 7.160 1.00 0.00 C ATOM 275 C LEU A 20 5.275 -10.972 7.669 1.00 0.00 C ATOM 276 O LEU A 20 6.207 -10.615 6.949 1.00 0.00 O ATOM 277 CB LEU A 20 3.550 -12.206 6.343 1.00 0.00 C ATOM 278 CG LEU A 20 2.200 -12.248 5.625 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.061 -13.533 4.824 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.060 -12.114 6.625 1.00 0.00 C ATOM 0 H LEU A 20 3.772 -9.877 5.356 1.00 0.00 H new ATOM 0 HA LEU A 20 3.167 -10.915 8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.338 -12.320 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.612 -13.068 7.008 1.00 0.00 H new ATOM 0 HG LEU A 20 2.151 -11.407 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.094 -13.545 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.858 -13.587 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.131 -14.389 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.107 -12.146 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.106 -12.935 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.150 -11.165 7.154 1.00 0.00 H new ATOM 292 N LYS A 21 5.448 -11.401 8.915 1.00 0.00 N ATOM 293 CA LYS A 21 6.772 -11.478 9.521 1.00 0.00 C ATOM 294 C LYS A 21 7.794 -12.023 8.528 1.00 0.00 C ATOM 295 O LYS A 21 8.950 -11.601 8.518 1.00 0.00 O ATOM 296 CB LYS A 21 6.733 -12.366 10.767 1.00 0.00 C ATOM 297 CG LYS A 21 7.805 -12.027 11.788 1.00 0.00 C ATOM 298 CD LYS A 21 8.043 -13.179 12.751 1.00 0.00 C ATOM 299 CE LYS A 21 7.049 -13.157 13.902 1.00 0.00 C ATOM 300 NZ LYS A 21 7.442 -12.182 14.956 1.00 0.00 N ATOM 0 H LYS A 21 4.687 -11.701 9.525 1.00 0.00 H new ATOM 0 HA LYS A 21 7.072 -10.470 9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.754 -12.276 11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.847 -13.407 10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.735 -11.784 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.508 -11.140 12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.961 -14.125 12.216 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.058 -13.122 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.060 -12.902 13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.976 -14.153 14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.739 -12.197 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.375 -12.439 15.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.487 -11.227 14.546 1.00 0.00 H new ATOM 314 N VAL A 22 7.358 -12.960 7.692 1.00 0.00 N ATOM 315 CA VAL A 22 8.235 -13.560 6.693 1.00 0.00 C ATOM 316 C VAL A 22 7.435 -14.099 5.512 1.00 0.00 C ATOM 317 O VAL A 22 6.417 -14.767 5.693 1.00 0.00 O ATOM 318 CB VAL A 22 9.073 -14.703 7.295 1.00 0.00 C ATOM 319 CG1 VAL A 22 8.170 -15.798 7.841 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.035 -15.262 6.257 1.00 0.00 C ATOM 0 H VAL A 22 6.404 -13.320 7.687 1.00 0.00 H new ATOM 0 HA VAL A 22 8.904 -12.773 6.346 1.00 0.00 H new ATOM 0 HB VAL A 22 9.659 -14.303 8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.781 -16.597 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.526 -15.385 8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.555 -16.198 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.619 -16.069 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.471 -15.646 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.705 -14.472 5.919 1.00 0.00 H new ATOM 330 N ALA A 23 7.902 -13.804 4.304 1.00 0.00 N ATOM 331 CA ALA A 23 7.231 -14.261 3.093 1.00 0.00 C ATOM 332 C ALA A 23 6.884 -15.743 3.184 1.00 0.00 C ATOM 333 O ALA A 23 7.726 -16.584 3.499 1.00 0.00 O ATOM 334 CB ALA A 23 8.102 -13.995 1.874 1.00 0.00 C ATOM 0 H ALA A 23 8.742 -13.251 4.137 1.00 0.00 H new ATOM 0 HA ALA A 23 6.301 -13.702 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.588 -14.341 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.295 -12.925 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.047 -14.527 1.979 1.00 0.00 H new ATOM 340 N PRO A 24 5.615 -16.073 2.902 1.00 0.00 N ATOM 341 CA PRO A 24 5.128 -17.455 2.946 1.00 0.00 C ATOM 342 C PRO A 24 5.703 -18.308 1.820 1.00 0.00 C ATOM 343 O PRO A 24 6.584 -17.867 1.083 1.00 0.00 O ATOM 344 CB PRO A 24 3.614 -17.303 2.782 1.00 0.00 C ATOM 345 CG PRO A 24 3.439 -16.014 2.055 1.00 0.00 C ATOM 346 CD PRO A 24 4.558 -15.123 2.519 1.00 0.00 C ATOM 0 HA PRO A 24 5.422 -17.962 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.191 -18.135 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.111 -17.284 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.482 -16.165 0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.469 -15.570 2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.890 -14.450 1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.253 -14.500 3.360 1.00 0.00 H new ATOM 354 N GLU A 25 5.197 -19.531 1.693 1.00 0.00 N ATOM 355 CA GLU A 25 5.662 -20.445 0.656 1.00 0.00 C ATOM 356 C GLU A 25 4.757 -20.381 -0.571 1.00 0.00 C ATOM 357 O GLU A 25 4.562 -21.380 -1.263 1.00 0.00 O ATOM 358 CB GLU A 25 5.712 -21.877 1.192 1.00 0.00 C ATOM 359 CG GLU A 25 6.917 -22.155 2.075 1.00 0.00 C ATOM 360 CD GLU A 25 8.219 -21.696 1.446 1.00 0.00 C ATOM 361 OE1 GLU A 25 8.281 -21.619 0.201 1.00 0.00 O ATOM 362 OE2 GLU A 25 9.175 -21.415 2.198 1.00 0.00 O ATOM 0 H GLU A 25 4.466 -19.911 2.294 1.00 0.00 H new ATOM 0 HA GLU A 25 6.666 -20.140 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.803 -22.075 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.721 -22.571 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.784 -21.653 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.974 -23.224 2.280 1.00 0.00 H new ATOM 369 N GLU A 26 4.207 -19.200 -0.833 1.00 0.00 N ATOM 370 CA GLU A 26 3.321 -19.006 -1.975 1.00 0.00 C ATOM 371 C GLU A 26 4.079 -18.404 -3.155 1.00 0.00 C ATOM 372 O GLU A 26 5.204 -17.927 -3.006 1.00 0.00 O ATOM 373 CB GLU A 26 2.149 -18.101 -1.592 1.00 0.00 C ATOM 374 CG GLU A 26 1.047 -18.820 -0.832 1.00 0.00 C ATOM 375 CD GLU A 26 0.471 -19.989 -1.607 1.00 0.00 C ATOM 376 OE1 GLU A 26 0.386 -19.894 -2.849 1.00 0.00 O ATOM 377 OE2 GLU A 26 0.105 -21.000 -0.971 1.00 0.00 O ATOM 0 H GLU A 26 4.359 -18.363 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 26 2.935 -19.981 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.521 -17.277 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.728 -17.663 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.441 -19.178 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.250 -18.114 -0.601 1.00 0.00 H new ATOM 384 N ASP A 27 3.454 -18.430 -4.327 1.00 0.00 N ATOM 385 CA ASP A 27 4.068 -17.886 -5.533 1.00 0.00 C ATOM 386 C ASP A 27 3.207 -16.776 -6.128 1.00 0.00 C ATOM 387 O ASP A 27 2.056 -17.001 -6.501 1.00 0.00 O ATOM 388 CB ASP A 27 4.279 -18.993 -6.567 1.00 0.00 C ATOM 389 CG ASP A 27 3.273 -20.118 -6.424 1.00 0.00 C ATOM 390 OD1 ASP A 27 2.059 -19.829 -6.407 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.700 -21.288 -6.329 1.00 0.00 O ATOM 0 H ASP A 27 2.523 -18.822 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 27 5.035 -17.465 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.206 -18.569 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.287 -19.395 -6.464 1.00 0.00 H new ATOM 396 N CYS A 28 3.773 -15.576 -6.212 1.00 0.00 N ATOM 397 CA CYS A 28 3.058 -14.430 -6.759 1.00 0.00 C ATOM 398 C CYS A 28 2.727 -14.648 -8.233 1.00 0.00 C ATOM 399 O CYS A 28 3.622 -14.742 -9.073 1.00 0.00 O ATOM 400 CB CYS A 28 3.892 -13.157 -6.596 1.00 0.00 C ATOM 401 SG CYS A 28 3.191 -11.697 -7.430 1.00 0.00 S ATOM 0 H CYS A 28 4.725 -15.373 -5.908 1.00 0.00 H new ATOM 0 HA CYS A 28 2.125 -14.319 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.999 -12.939 -5.533 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.893 -13.339 -6.986 1.00 0.00 H new ATOM 0 HG CYS A 28 3.011 -10.746 -6.562 1.00 0.00 H new ATOM 406 N ILE A 29 1.436 -14.728 -8.537 1.00 0.00 N ATOM 407 CA ILE A 29 0.987 -14.934 -9.909 1.00 0.00 C ATOM 408 C ILE A 29 1.147 -13.663 -10.736 1.00 0.00 C ATOM 409 O ILE A 29 1.400 -13.722 -11.940 1.00 0.00 O ATOM 410 CB ILE A 29 -0.486 -15.382 -9.957 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.392 -14.297 -9.372 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.666 -16.692 -9.205 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.852 -14.472 -9.728 1.00 0.00 C ATOM 0 H ILE A 29 0.683 -14.653 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 29 1.612 -15.721 -10.332 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.768 -15.541 -10.998 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.289 -14.295 -8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.054 -13.323 -9.726 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.712 -16.995 -9.248 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.046 -17.463 -9.663 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.370 -16.558 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.435 -13.667 -9.280 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.968 -14.444 -10.811 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.206 -15.431 -9.350 1.00 0.00 H new ATOM 425 N ILE A 30 1.000 -12.516 -10.083 1.00 0.00 N ATOM 426 CA ILE A 30 1.131 -11.231 -10.758 1.00 0.00 C ATOM 427 C ILE A 30 2.444 -11.146 -11.529 1.00 0.00 C ATOM 428 O ILE A 30 2.484 -10.652 -12.656 1.00 0.00 O ATOM 429 CB ILE A 30 1.059 -10.060 -9.759 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.307 -10.032 -9.071 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.329 -8.742 -10.469 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.392 -9.033 -7.938 1.00 0.00 C ATOM 0 H ILE A 30 0.790 -12.450 -9.087 1.00 0.00 H new ATOM 0 HA ILE A 30 0.297 -11.155 -11.456 1.00 0.00 H new ATOM 0 HB ILE A 30 1.825 -10.203 -8.997 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.073 -9.797 -9.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.531 -11.027 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.275 -7.924 -9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.323 -8.767 -10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.583 -8.590 -11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.388 -9.068 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.350 -9.280 -7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.200 -8.031 -8.321 1.00 0.00 H new ATOM 444 N CYS A 31 3.517 -11.635 -10.915 1.00 0.00 N ATOM 445 CA CYS A 31 4.832 -11.617 -11.544 1.00 0.00 C ATOM 446 C CYS A 31 5.380 -13.032 -11.699 1.00 0.00 C ATOM 447 O CYS A 31 6.465 -13.233 -12.245 1.00 0.00 O ATOM 448 CB CYS A 31 5.803 -10.770 -10.718 1.00 0.00 C ATOM 449 SG CYS A 31 6.146 -11.438 -9.058 1.00 0.00 S ATOM 0 H CYS A 31 3.501 -12.048 -9.983 1.00 0.00 H new ATOM 0 HA CYS A 31 4.728 -11.176 -12.535 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.743 -10.679 -11.263 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.395 -9.764 -10.616 1.00 0.00 H new ATOM 0 HG CYS A 31 5.109 -11.259 -8.295 1.00 0.00 H new ATOM 454 N MET A 32 4.622 -14.011 -11.215 1.00 0.00 N ATOM 455 CA MET A 32 5.031 -15.408 -11.301 1.00 0.00 C ATOM 456 C MET A 32 6.439 -15.598 -10.747 1.00 0.00 C ATOM 457 O MET A 32 7.271 -16.266 -11.358 1.00 0.00 O ATOM 458 CB MET A 32 4.972 -15.890 -12.752 1.00 0.00 C ATOM 459 CG MET A 32 3.565 -15.918 -13.327 1.00 0.00 C ATOM 460 SD MET A 32 3.391 -17.095 -14.681 1.00 0.00 S ATOM 461 CE MET A 32 1.798 -17.819 -14.297 1.00 0.00 C ATOM 0 H MET A 32 3.722 -13.862 -10.759 1.00 0.00 H new ATOM 0 HA MET A 32 4.341 -16.000 -10.700 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.594 -15.240 -13.368 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.400 -16.891 -12.811 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.859 -16.172 -12.537 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.302 -14.921 -13.681 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.549 -18.569 -15.047 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.839 -18.288 -13.314 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.035 -17.040 -14.296 1.00 0.00 H new ATOM 471 N GLU A 33 6.698 -15.004 -9.585 1.00 0.00 N ATOM 472 CA GLU A 33 8.006 -15.108 -8.950 1.00 0.00 C ATOM 473 C GLU A 33 7.867 -15.459 -7.472 1.00 0.00 C ATOM 474 O GLU A 33 7.036 -14.892 -6.762 1.00 0.00 O ATOM 475 CB GLU A 33 8.778 -13.796 -9.104 1.00 0.00 C ATOM 476 CG GLU A 33 9.193 -13.497 -10.535 1.00 0.00 C ATOM 477 CD GLU A 33 10.490 -12.717 -10.616 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.467 -11.497 -10.350 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.529 -13.327 -10.944 1.00 0.00 O ATOM 0 H GLU A 33 6.020 -14.447 -9.066 1.00 0.00 H new ATOM 0 HA GLU A 33 8.559 -15.907 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.162 -12.976 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.669 -13.833 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.303 -14.434 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.402 -12.932 -11.028 1.00 0.00 H new ATOM 486 N LYS A 34 8.687 -16.399 -7.013 1.00 0.00 N ATOM 487 CA LYS A 34 8.658 -16.827 -5.620 1.00 0.00 C ATOM 488 C LYS A 34 8.810 -15.634 -4.681 1.00 0.00 C ATOM 489 O LYS A 34 9.831 -14.945 -4.696 1.00 0.00 O ATOM 490 CB LYS A 34 9.770 -17.843 -5.354 1.00 0.00 C ATOM 491 CG LYS A 34 9.341 -19.285 -5.566 1.00 0.00 C ATOM 492 CD LYS A 34 10.518 -20.168 -5.943 1.00 0.00 C ATOM 493 CE LYS A 34 11.355 -20.531 -4.726 1.00 0.00 C ATOM 494 NZ LYS A 34 12.133 -21.782 -4.941 1.00 0.00 N ATOM 0 H LYS A 34 9.380 -16.879 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 34 7.693 -17.296 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.614 -17.624 -6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.121 -17.724 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.877 -19.665 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.586 -19.329 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.154 -21.078 -6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.141 -19.653 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.038 -19.713 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.704 -20.653 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.690 -21.995 -4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.480 -22.568 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.773 -21.658 -5.751 1.00 0.00 H new ATOM 508 N LEU A 35 7.789 -15.396 -3.865 1.00 0.00 N ATOM 509 CA LEU A 35 7.810 -14.287 -2.918 1.00 0.00 C ATOM 510 C LEU A 35 9.201 -14.109 -2.317 1.00 0.00 C ATOM 511 O LEU A 35 9.632 -12.990 -2.044 1.00 0.00 O ATOM 512 CB LEU A 35 6.787 -14.522 -1.804 1.00 0.00 C ATOM 513 CG LEU A 35 5.343 -14.745 -2.256 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.546 -15.444 -1.166 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.692 -13.423 -2.632 1.00 0.00 C ATOM 0 H LEU A 35 6.937 -15.956 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 35 7.549 -13.377 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.103 -15.389 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.808 -13.664 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 35 5.352 -15.385 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.521 -15.595 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.001 -16.410 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.544 -14.829 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.665 -13.601 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.694 -12.758 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.250 -12.961 -3.446 1.00 0.00 H new ATOM 527 N ALA A 36 9.899 -15.222 -2.116 1.00 0.00 N ATOM 528 CA ALA A 36 11.243 -15.190 -1.552 1.00 0.00 C ATOM 529 C ALA A 36 12.098 -14.127 -2.233 1.00 0.00 C ATOM 530 O ALA A 36 12.802 -13.364 -1.572 1.00 0.00 O ATOM 531 CB ALA A 36 11.899 -16.557 -1.673 1.00 0.00 C ATOM 0 H ALA A 36 9.556 -16.157 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 36 11.162 -14.932 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.902 -16.518 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.305 -17.295 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.961 -16.839 -2.724 1.00 0.00 H new ATOM 537 N VAL A 37 12.034 -14.084 -3.560 1.00 0.00 N ATOM 538 CA VAL A 37 12.803 -13.115 -4.332 1.00 0.00 C ATOM 539 C VAL A 37 12.075 -11.778 -4.416 1.00 0.00 C ATOM 540 O VAL A 37 10.934 -11.651 -3.972 1.00 0.00 O ATOM 541 CB VAL A 37 13.081 -13.626 -5.758 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.705 -15.012 -5.716 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.801 -13.633 -6.580 1.00 0.00 C ATOM 0 H VAL A 37 11.457 -14.709 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 37 13.751 -12.978 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 37 13.789 -12.949 -6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.894 -15.357 -6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.645 -14.971 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.024 -15.703 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.016 -13.997 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.068 -14.286 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.401 -12.621 -6.639 1.00 0.00 H new ATOM 553 N ALA A 38 12.743 -10.782 -4.989 1.00 0.00 N ATOM 554 CA ALA A 38 12.159 -9.454 -5.134 1.00 0.00 C ATOM 555 C ALA A 38 10.961 -9.481 -6.077 1.00 0.00 C ATOM 556 O ALA A 38 10.653 -10.512 -6.674 1.00 0.00 O ATOM 557 CB ALA A 38 13.205 -8.469 -5.634 1.00 0.00 C ATOM 0 H ALA A 38 13.689 -10.870 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 38 11.809 -9.129 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.755 -7.482 -5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.028 -8.420 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.582 -8.799 -6.602 1.00 0.00 H new ATOM 563 N SER A 39 10.289 -8.342 -6.205 1.00 0.00 N ATOM 564 CA SER A 39 9.122 -8.236 -7.073 1.00 0.00 C ATOM 565 C SER A 39 9.540 -8.000 -8.521 1.00 0.00 C ATOM 566 O SER A 39 10.534 -7.326 -8.789 1.00 0.00 O ATOM 567 CB SER A 39 8.211 -7.101 -6.601 1.00 0.00 C ATOM 568 OG SER A 39 7.210 -6.817 -7.564 1.00 0.00 O ATOM 0 H SER A 39 10.532 -7.479 -5.719 1.00 0.00 H new ATOM 0 HA SER A 39 8.575 -9.177 -7.021 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.743 -7.375 -5.655 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.806 -6.207 -6.415 1.00 0.00 H new ATOM 0 HG SER A 39 6.562 -7.552 -7.589 1.00 0.00 H new ATOM 574 N GLY A 40 8.773 -8.560 -9.451 1.00 0.00 N ATOM 575 CA GLY A 40 9.080 -8.400 -10.860 1.00 0.00 C ATOM 576 C GLY A 40 8.872 -6.977 -11.341 1.00 0.00 C ATOM 577 O GLY A 40 9.520 -6.534 -12.289 1.00 0.00 O ATOM 0 H GLY A 40 7.945 -9.122 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.115 -8.693 -11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.452 -9.073 -11.444 1.00 0.00 H new ATOM 581 N TYR A 41 7.965 -6.261 -10.687 1.00 0.00 N ATOM 582 CA TYR A 41 7.670 -4.881 -11.055 1.00 0.00 C ATOM 583 C TYR A 41 8.680 -3.923 -10.432 1.00 0.00 C ATOM 584 O TYR A 41 8.782 -2.763 -10.832 1.00 0.00 O ATOM 585 CB TYR A 41 6.254 -4.505 -10.614 1.00 0.00 C ATOM 586 CG TYR A 41 5.170 -5.260 -11.350 1.00 0.00 C ATOM 587 CD1 TYR A 41 5.088 -6.645 -11.275 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.227 -4.588 -12.118 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.100 -7.339 -11.946 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.235 -5.274 -12.791 1.00 0.00 C ATOM 591 CZ TYR A 41 3.175 -6.649 -12.702 1.00 0.00 C ATOM 592 OH TYR A 41 2.188 -7.337 -13.371 1.00 0.00 O ATOM 0 H TYR A 41 7.421 -6.613 -9.899 1.00 0.00 H new ATOM 0 HA TYR A 41 7.740 -4.798 -12.140 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.154 -4.692 -9.545 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.107 -3.436 -10.765 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.809 -7.188 -10.682 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.270 -3.511 -12.190 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.052 -8.416 -11.879 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.510 -4.736 -13.384 1.00 0.00 H new ATOM 0 HH TYR A 41 1.618 -6.703 -13.855 1.00 0.00 H new ATOM 602 N SER A 42 9.426 -4.417 -9.449 1.00 0.00 N ATOM 603 CA SER A 42 10.427 -3.605 -8.767 1.00 0.00 C ATOM 604 C SER A 42 11.093 -2.635 -9.737 1.00 0.00 C ATOM 605 O SER A 42 11.507 -1.541 -9.353 1.00 0.00 O ATOM 606 CB SER A 42 11.484 -4.501 -8.117 1.00 0.00 C ATOM 607 OG SER A 42 12.367 -5.035 -9.088 1.00 0.00 O ATOM 0 H SER A 42 9.356 -5.375 -9.107 1.00 0.00 H new ATOM 0 HA SER A 42 9.924 -3.027 -7.992 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.050 -3.927 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.996 -5.314 -7.579 1.00 0.00 H new ATOM 0 HG SER A 42 12.085 -5.944 -9.321 1.00 0.00 H new ATOM 613 N ASP A 43 11.194 -3.045 -10.997 1.00 0.00 N ATOM 614 CA ASP A 43 11.809 -2.213 -12.025 1.00 0.00 C ATOM 615 C ASP A 43 10.825 -1.163 -12.535 1.00 0.00 C ATOM 616 O ASP A 43 11.124 0.031 -12.538 1.00 0.00 O ATOM 617 CB ASP A 43 12.298 -3.078 -13.187 1.00 0.00 C ATOM 618 CG ASP A 43 13.165 -4.232 -12.724 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.287 -3.975 -12.240 1.00 0.00 O ATOM 620 OD2 ASP A 43 12.722 -5.393 -12.846 1.00 0.00 O ATOM 0 H ASP A 43 10.858 -3.948 -11.331 1.00 0.00 H new ATOM 0 HA ASP A 43 12.662 -1.700 -11.580 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.439 -3.469 -13.732 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.863 -2.459 -13.884 1.00 0.00 H new ATOM 625 N MET A 44 9.653 -1.618 -12.966 1.00 0.00 N ATOM 626 CA MET A 44 8.626 -0.718 -13.478 1.00 0.00 C ATOM 627 C MET A 44 8.224 0.305 -12.420 1.00 0.00 C ATOM 628 O MET A 44 7.937 1.460 -12.736 1.00 0.00 O ATOM 629 CB MET A 44 7.400 -1.513 -13.928 1.00 0.00 C ATOM 630 CG MET A 44 6.310 -0.651 -14.545 1.00 0.00 C ATOM 631 SD MET A 44 5.349 -1.533 -15.790 1.00 0.00 S ATOM 632 CE MET A 44 3.949 -2.078 -14.815 1.00 0.00 C ATOM 0 H MET A 44 9.391 -2.604 -12.971 1.00 0.00 H new ATOM 0 HA MET A 44 9.038 -0.185 -14.335 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.711 -2.265 -14.653 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.989 -2.047 -13.071 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.642 -0.298 -13.759 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.763 0.231 -14.998 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.688 -3.099 -15.092 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.208 -2.044 -13.757 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.098 -1.423 -15.002 1.00 0.00 H new ATOM 642 N THR A 45 8.203 -0.127 -11.163 1.00 0.00 N ATOM 643 CA THR A 45 7.833 0.750 -10.059 1.00 0.00 C ATOM 644 C THR A 45 9.067 1.242 -9.311 1.00 0.00 C ATOM 645 O THR A 45 10.073 0.537 -9.223 1.00 0.00 O ATOM 646 CB THR A 45 6.894 0.040 -9.067 1.00 0.00 C ATOM 647 OG1 THR A 45 7.357 -1.293 -8.823 1.00 0.00 O ATOM 648 CG2 THR A 45 5.471 -0.002 -9.603 1.00 0.00 C ATOM 0 H THR A 45 8.438 -1.080 -10.884 1.00 0.00 H new ATOM 0 HA THR A 45 7.311 1.602 -10.494 1.00 0.00 H new ATOM 0 HB THR A 45 6.896 0.602 -8.133 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.337 -1.307 -8.841 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.826 -0.508 -8.885 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.111 1.015 -9.760 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.454 -0.543 -10.549 1.00 0.00 H new ATOM 656 N ASP A 46 8.983 2.453 -8.773 1.00 0.00 N ATOM 657 CA ASP A 46 10.093 3.038 -8.029 1.00 0.00 C ATOM 658 C ASP A 46 9.621 3.581 -6.684 1.00 0.00 C ATOM 659 O ASP A 46 10.168 4.557 -6.170 1.00 0.00 O ATOM 660 CB ASP A 46 10.747 4.156 -8.843 1.00 0.00 C ATOM 661 CG ASP A 46 10.114 5.509 -8.581 1.00 0.00 C ATOM 662 OD1 ASP A 46 8.897 5.651 -8.823 1.00 0.00 O ATOM 663 OD2 ASP A 46 10.836 6.426 -8.136 1.00 0.00 O ATOM 0 H ASP A 46 8.158 3.049 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 46 10.828 2.254 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.809 4.202 -8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.670 3.921 -9.905 1.00 0.00 H new ATOM 668 N SER A 47 8.601 2.942 -6.120 1.00 0.00 N ATOM 669 CA SER A 47 8.051 3.364 -4.836 1.00 0.00 C ATOM 670 C SER A 47 9.106 3.274 -3.738 1.00 0.00 C ATOM 671 O SER A 47 9.887 2.324 -3.687 1.00 0.00 O ATOM 672 CB SER A 47 6.841 2.503 -4.469 1.00 0.00 C ATOM 673 OG SER A 47 7.235 1.181 -4.143 1.00 0.00 O ATOM 0 H SER A 47 8.139 2.131 -6.531 1.00 0.00 H new ATOM 0 HA SER A 47 7.734 4.403 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.317 2.948 -3.623 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.140 2.481 -5.303 1.00 0.00 H new ATOM 0 HG SER A 47 8.051 0.952 -4.634 1.00 0.00 H new ATOM 679 N LYS A 48 9.122 4.271 -2.859 1.00 0.00 N ATOM 680 CA LYS A 48 10.079 4.307 -1.760 1.00 0.00 C ATOM 681 C LYS A 48 9.520 3.600 -0.529 1.00 0.00 C ATOM 682 O LYS A 48 10.189 2.762 0.075 1.00 0.00 O ATOM 683 CB LYS A 48 10.434 5.754 -1.412 1.00 0.00 C ATOM 684 CG LYS A 48 11.478 5.878 -0.316 1.00 0.00 C ATOM 685 CD LYS A 48 12.887 5.738 -0.870 1.00 0.00 C ATOM 686 CE LYS A 48 13.866 5.290 0.205 1.00 0.00 C ATOM 687 NZ LYS A 48 14.288 6.422 1.076 1.00 0.00 N ATOM 0 H LYS A 48 8.482 5.065 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 48 10.981 3.785 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.799 6.255 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.529 6.276 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.375 6.844 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.306 5.112 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.888 5.017 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.212 6.692 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.405 4.514 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.744 4.846 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.955 6.077 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.751 7.152 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.454 6.829 1.544 1.00 0.00 H new ATOM 701 N ALA A 49 8.289 3.943 -0.164 1.00 0.00 N ATOM 702 CA ALA A 49 7.639 3.338 0.993 1.00 0.00 C ATOM 703 C ALA A 49 7.552 1.823 0.844 1.00 0.00 C ATOM 704 O ALA A 49 7.932 1.077 1.747 1.00 0.00 O ATOM 705 CB ALA A 49 6.252 3.932 1.189 1.00 0.00 C ATOM 0 H ALA A 49 7.722 4.636 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 49 8.243 3.556 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.778 3.471 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.336 5.007 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.647 3.744 0.302 1.00 0.00 H new ATOM 711 N LEU A 50 7.048 1.374 -0.300 1.00 0.00 N ATOM 712 CA LEU A 50 6.910 -0.054 -0.568 1.00 0.00 C ATOM 713 C LEU A 50 8.240 -0.656 -1.008 1.00 0.00 C ATOM 714 O LEU A 50 9.127 0.051 -1.484 1.00 0.00 O ATOM 715 CB LEU A 50 5.849 -0.291 -1.644 1.00 0.00 C ATOM 716 CG LEU A 50 4.405 -0.391 -1.151 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.434 -0.047 -2.270 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.122 -1.784 -0.608 1.00 0.00 C ATOM 0 H LEU A 50 6.728 1.978 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 50 6.598 -0.543 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.909 0.520 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.096 -1.211 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 50 4.267 0.328 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.411 -0.124 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.621 0.970 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.573 -0.741 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.090 -1.837 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.278 -2.520 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.795 -1.994 0.223 1.00 0.00 H new ATOM 730 N GLY A 51 8.372 -1.970 -0.847 1.00 0.00 N ATOM 731 CA GLY A 51 9.596 -2.646 -1.234 1.00 0.00 C ATOM 732 C GLY A 51 9.334 -3.895 -2.053 1.00 0.00 C ATOM 733 O GLY A 51 8.301 -4.550 -1.912 1.00 0.00 O ATOM 0 H GLY A 51 7.653 -2.578 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.219 -1.962 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.159 -2.913 -0.339 1.00 0.00 H new ATOM 737 N PRO A 52 10.286 -4.240 -2.933 1.00 0.00 N ATOM 738 CA PRO A 52 10.175 -5.420 -3.795 1.00 0.00 C ATOM 739 C PRO A 52 10.289 -6.723 -3.012 1.00 0.00 C ATOM 740 O PRO A 52 9.566 -7.683 -3.278 1.00 0.00 O ATOM 741 CB PRO A 52 11.357 -5.269 -4.756 1.00 0.00 C ATOM 742 CG PRO A 52 12.347 -4.441 -4.012 1.00 0.00 C ATOM 743 CD PRO A 52 11.543 -3.505 -3.153 1.00 0.00 C ATOM 0 HA PRO A 52 9.207 -5.472 -4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.775 -6.239 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.053 -4.784 -5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.999 -5.067 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.987 -3.887 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.050 -3.286 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.369 -2.551 -3.651 1.00 0.00 H new ATOM 751 N MET A 53 11.201 -6.750 -2.046 1.00 0.00 N ATOM 752 CA MET A 53 11.408 -7.936 -1.223 1.00 0.00 C ATOM 753 C MET A 53 10.263 -8.116 -0.232 1.00 0.00 C ATOM 754 O MET A 53 9.973 -9.232 0.202 1.00 0.00 O ATOM 755 CB MET A 53 12.737 -7.836 -0.472 1.00 0.00 C ATOM 756 CG MET A 53 13.947 -8.163 -1.332 1.00 0.00 C ATOM 757 SD MET A 53 14.350 -9.920 -1.325 1.00 0.00 S ATOM 758 CE MET A 53 15.294 -10.056 -2.842 1.00 0.00 C ATOM 0 H MET A 53 11.809 -5.964 -1.814 1.00 0.00 H new ATOM 0 HA MET A 53 11.435 -8.804 -1.881 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.846 -6.827 -0.075 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.714 -8.513 0.382 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.757 -7.842 -2.356 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.806 -7.596 -0.974 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.803 -10.759 -3.514 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.356 -9.079 -3.321 1.00 0.00 H new ATOM 0 HE3 MET A 53 16.299 -10.413 -2.615 1.00 0.00 H new ATOM 768 N VAL A 54 9.614 -7.012 0.124 1.00 0.00 N ATOM 769 CA VAL A 54 8.500 -7.048 1.063 1.00 0.00 C ATOM 770 C VAL A 54 7.390 -7.967 0.564 1.00 0.00 C ATOM 771 O VAL A 54 7.271 -8.221 -0.634 1.00 0.00 O ATOM 772 CB VAL A 54 7.919 -5.642 1.300 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.817 -5.688 2.348 1.00 0.00 C ATOM 774 CG2 VAL A 54 9.018 -4.674 1.712 1.00 0.00 C ATOM 0 H VAL A 54 9.841 -6.081 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 54 8.892 -7.434 2.004 1.00 0.00 H new ATOM 0 HB VAL A 54 7.484 -5.286 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.419 -4.685 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.018 -6.347 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.223 -6.065 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.589 -3.685 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.485 -5.024 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.768 -4.618 0.923 1.00 0.00 H new ATOM 784 N VAL A 55 6.579 -8.464 1.493 1.00 0.00 N ATOM 785 CA VAL A 55 5.477 -9.354 1.147 1.00 0.00 C ATOM 786 C VAL A 55 4.405 -9.349 2.232 1.00 0.00 C ATOM 787 O VAL A 55 4.711 -9.271 3.421 1.00 0.00 O ATOM 788 CB VAL A 55 5.968 -10.799 0.934 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.808 -11.706 0.553 1.00 0.00 C ATOM 790 CG2 VAL A 55 7.058 -10.839 -0.127 1.00 0.00 C ATOM 0 H VAL A 55 6.664 -8.266 2.490 1.00 0.00 H new ATOM 0 HA VAL A 55 5.050 -8.982 0.216 1.00 0.00 H new ATOM 0 HB VAL A 55 6.390 -11.164 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.174 -12.722 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.064 -11.699 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.354 -11.347 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.394 -11.867 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.664 -10.456 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.899 -10.223 0.192 1.00 0.00 H new ATOM 800 N GLY A 56 3.146 -9.432 1.813 1.00 0.00 N ATOM 801 CA GLY A 56 2.048 -9.435 2.761 1.00 0.00 C ATOM 802 C GLY A 56 0.844 -10.204 2.252 1.00 0.00 C ATOM 803 O GLY A 56 0.760 -10.523 1.066 1.00 0.00 O ATOM 0 H GLY A 56 2.867 -9.497 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.385 -9.873 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.755 -8.407 2.976 1.00 0.00 H new ATOM 807 N ARG A 57 -0.088 -10.503 3.150 1.00 0.00 N ATOM 808 CA ARG A 57 -1.291 -11.242 2.786 1.00 0.00 C ATOM 809 C ARG A 57 -2.539 -10.390 3.002 1.00 0.00 C ATOM 810 O ARG A 57 -2.666 -9.703 4.017 1.00 0.00 O ATOM 811 CB ARG A 57 -1.392 -12.530 3.604 1.00 0.00 C ATOM 812 CG ARG A 57 -0.748 -13.731 2.931 1.00 0.00 C ATOM 813 CD ARG A 57 -1.263 -15.039 3.512 1.00 0.00 C ATOM 814 NE ARG A 57 -0.592 -16.198 2.931 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.998 -17.450 3.113 1.00 0.00 C ATOM 816 NH1 ARG A 57 -2.068 -17.702 3.854 1.00 0.00 N ATOM 817 NH2 ARG A 57 -0.334 -18.452 2.551 1.00 0.00 N ATOM 0 H ARG A 57 -0.034 -10.245 4.135 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.224 -11.496 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.921 -12.372 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.443 -12.750 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.952 -13.702 1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.334 -13.680 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.116 -15.039 4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.336 -15.116 3.337 1.00 0.00 H new ATOM 0 HE ARG A 57 0.234 -16.038 2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.582 -16.934 4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.378 -18.664 3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.489 -18.261 1.979 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.646 -19.413 2.691 1.00 0.00 H new ATOM 831 N LEU A 58 -3.456 -10.440 2.043 1.00 0.00 N ATOM 832 CA LEU A 58 -4.694 -9.673 2.128 1.00 0.00 C ATOM 833 C LEU A 58 -5.449 -9.998 3.412 1.00 0.00 C ATOM 834 O LEU A 58 -5.204 -11.025 4.047 1.00 0.00 O ATOM 835 CB LEU A 58 -5.580 -9.961 0.915 1.00 0.00 C ATOM 836 CG LEU A 58 -5.165 -9.290 -0.395 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.528 -10.166 -1.583 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.815 -7.920 -0.522 1.00 0.00 C ATOM 0 H LEU A 58 -3.366 -11.003 1.197 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.436 -8.614 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.604 -11.039 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.598 -9.651 1.152 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.083 -9.158 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.225 -9.671 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.015 -11.124 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.605 -10.332 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.508 -7.457 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.899 -8.029 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.503 -7.291 0.312 1.00 0.00 H new ATOM 850 N THR A 59 -6.372 -9.119 3.790 1.00 0.00 N ATOM 851 CA THR A 59 -7.165 -9.313 4.997 1.00 0.00 C ATOM 852 C THR A 59 -8.536 -9.892 4.668 1.00 0.00 C ATOM 853 O THR A 59 -9.328 -10.188 5.563 1.00 0.00 O ATOM 854 CB THR A 59 -7.349 -7.991 5.766 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.016 -7.032 4.939 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.007 -7.435 6.216 1.00 0.00 C ATOM 0 H THR A 59 -6.589 -8.265 3.277 1.00 0.00 H new ATOM 0 HA THR A 59 -6.618 -10.017 5.624 1.00 0.00 H new ATOM 0 HB THR A 59 -7.955 -8.192 6.649 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.130 -6.195 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.163 -6.501 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.515 -8.155 6.870 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.379 -7.249 5.344 1.00 0.00 H new ATOM 864 N LYS A 60 -8.811 -10.052 3.378 1.00 0.00 N ATOM 865 CA LYS A 60 -10.087 -10.598 2.929 1.00 0.00 C ATOM 866 C LYS A 60 -9.964 -12.087 2.624 1.00 0.00 C ATOM 867 O LYS A 60 -10.446 -12.929 3.382 1.00 0.00 O ATOM 868 CB LYS A 60 -10.576 -9.850 1.687 1.00 0.00 C ATOM 869 CG LYS A 60 -11.461 -8.657 2.004 1.00 0.00 C ATOM 870 CD LYS A 60 -12.400 -8.337 0.853 1.00 0.00 C ATOM 871 CE LYS A 60 -13.623 -7.568 1.329 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.606 -7.355 0.230 1.00 0.00 N ATOM 0 H LYS A 60 -8.167 -9.811 2.624 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.812 -10.469 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.713 -9.510 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.128 -10.542 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.043 -8.863 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.839 -7.788 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.870 -7.751 0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.716 -9.262 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.101 -8.113 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.312 -6.603 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.320 -6.662 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.112 -6.998 -0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.072 -8.256 0.002 1.00 0.00 H new ATOM 886 N CYS A 61 -9.315 -12.406 1.509 1.00 0.00 N ATOM 887 CA CYS A 61 -9.127 -13.794 1.103 1.00 0.00 C ATOM 888 C CYS A 61 -7.860 -14.375 1.723 1.00 0.00 C ATOM 889 O CYS A 61 -7.703 -15.593 1.816 1.00 0.00 O ATOM 890 CB CYS A 61 -9.055 -13.896 -0.422 1.00 0.00 C ATOM 891 SG CYS A 61 -7.599 -13.081 -1.153 1.00 0.00 S ATOM 0 H CYS A 61 -8.910 -11.722 0.870 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.981 -14.370 1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.049 -14.949 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.957 -13.456 -0.848 1.00 0.00 H new ATOM 0 HG CYS A 61 -7.976 -12.021 -1.805 1.00 0.00 H new ATOM 896 N SER A 62 -6.958 -13.496 2.147 1.00 0.00 N ATOM 897 CA SER A 62 -5.702 -13.921 2.755 1.00 0.00 C ATOM 898 C SER A 62 -4.751 -14.480 1.702 1.00 0.00 C ATOM 899 O SER A 62 -4.123 -15.520 1.906 1.00 0.00 O ATOM 900 CB SER A 62 -5.965 -14.974 3.833 1.00 0.00 C ATOM 901 OG SER A 62 -4.854 -15.101 4.704 1.00 0.00 O ATOM 0 H SER A 62 -7.073 -12.485 2.081 1.00 0.00 H new ATOM 0 HA SER A 62 -5.235 -13.050 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.851 -14.699 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.175 -15.935 3.364 1.00 0.00 H new ATOM 0 HG SER A 62 -5.048 -15.779 5.385 1.00 0.00 H new ATOM 907 N HIS A 63 -4.649 -13.782 0.575 1.00 0.00 N ATOM 908 CA HIS A 63 -3.773 -14.208 -0.511 1.00 0.00 C ATOM 909 C HIS A 63 -2.491 -13.382 -0.530 1.00 0.00 C ATOM 910 O HIS A 63 -2.527 -12.165 -0.709 1.00 0.00 O ATOM 911 CB HIS A 63 -4.494 -14.084 -1.853 1.00 0.00 C ATOM 912 CG HIS A 63 -5.576 -15.100 -2.049 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.318 -15.197 -3.207 1.00 0.00 N ATOM 914 CD2 HIS A 63 -6.039 -16.070 -1.226 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.192 -16.180 -3.087 1.00 0.00 C ATOM 916 NE2 HIS A 63 -7.043 -16.727 -1.894 1.00 0.00 N ATOM 0 H HIS A 63 -5.162 -12.920 0.390 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.509 -15.252 -0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.925 -13.086 -1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.765 -14.182 -2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.685 -16.287 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.907 -16.485 -3.837 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.585 -17.510 -1.528 1.00 0.00 H new ATOM 924 N ALA A 64 -1.358 -14.052 -0.344 1.00 0.00 N ATOM 925 CA ALA A 64 -0.065 -13.381 -0.341 1.00 0.00 C ATOM 926 C ALA A 64 0.228 -12.748 -1.697 1.00 0.00 C ATOM 927 O ALA A 64 -0.006 -13.357 -2.741 1.00 0.00 O ATOM 928 CB ALA A 64 1.038 -14.359 0.036 1.00 0.00 C ATOM 0 H ALA A 64 -1.310 -15.060 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.099 -12.585 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.998 -13.843 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.844 -14.761 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.063 -15.175 -0.686 1.00 0.00 H new ATOM 934 N PHE A 65 0.742 -11.522 -1.675 1.00 0.00 N ATOM 935 CA PHE A 65 1.065 -10.806 -2.903 1.00 0.00 C ATOM 936 C PHE A 65 2.045 -9.669 -2.628 1.00 0.00 C ATOM 937 O PHE A 65 1.873 -8.903 -1.680 1.00 0.00 O ATOM 938 CB PHE A 65 -0.208 -10.253 -3.547 1.00 0.00 C ATOM 939 CG PHE A 65 -0.893 -11.231 -4.458 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.364 -11.524 -5.705 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.066 -11.857 -4.068 1.00 0.00 C ATOM 942 CE1 PHE A 65 -0.991 -12.423 -6.546 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.697 -12.758 -4.905 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.160 -13.041 -6.146 1.00 0.00 C ATOM 0 H PHE A 65 0.944 -11.004 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 65 1.535 -11.509 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.902 -9.953 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.041 -9.355 -4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.549 -11.044 -6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.492 -11.639 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.568 -12.642 -7.515 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.610 -13.241 -4.589 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.653 -13.744 -6.802 1.00 0.00 H new ATOM 954 N HIS A 66 3.073 -9.567 -3.464 1.00 0.00 N ATOM 955 CA HIS A 66 4.081 -8.524 -3.312 1.00 0.00 C ATOM 956 C HIS A 66 3.427 -7.152 -3.175 1.00 0.00 C ATOM 957 O HIS A 66 2.965 -6.572 -4.158 1.00 0.00 O ATOM 958 CB HIS A 66 5.036 -8.529 -4.506 1.00 0.00 C ATOM 959 CG HIS A 66 5.929 -9.730 -4.554 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.640 -10.855 -5.298 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.112 -9.978 -3.944 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.606 -11.743 -5.143 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.512 -11.235 -4.327 1.00 0.00 N ATOM 0 H HIS A 66 3.230 -10.194 -4.253 1.00 0.00 H new ATOM 0 HA HIS A 66 4.647 -8.730 -2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.454 -8.482 -5.426 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.651 -7.630 -4.472 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.810 -10.982 -5.877 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.642 -9.312 -3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.648 -12.718 -5.605 1.00 0.00 H new ATOM 971 N LEU A 67 3.391 -6.639 -1.950 1.00 0.00 N ATOM 972 CA LEU A 67 2.793 -5.336 -1.683 1.00 0.00 C ATOM 973 C LEU A 67 3.108 -4.352 -2.806 1.00 0.00 C ATOM 974 O LEU A 67 2.357 -3.405 -3.045 1.00 0.00 O ATOM 975 CB LEU A 67 3.299 -4.784 -0.349 1.00 0.00 C ATOM 976 CG LEU A 67 3.197 -5.727 0.849 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.767 -5.069 2.096 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.752 -6.145 1.078 1.00 0.00 C ATOM 0 H LEU A 67 3.769 -7.106 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 67 1.712 -5.464 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.343 -4.495 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.742 -3.876 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 67 3.783 -6.621 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.686 -5.755 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.815 -4.821 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.209 -4.159 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.699 -6.816 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.144 -5.261 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.377 -6.657 0.192 1.00 0.00 H new ATOM 990 N LEU A 68 4.220 -4.585 -3.494 1.00 0.00 N ATOM 991 CA LEU A 68 4.634 -3.721 -4.594 1.00 0.00 C ATOM 992 C LEU A 68 3.854 -4.046 -5.864 1.00 0.00 C ATOM 993 O LEU A 68 3.339 -3.151 -6.536 1.00 0.00 O ATOM 994 CB LEU A 68 6.134 -3.871 -4.850 1.00 0.00 C ATOM 995 CG LEU A 68 6.767 -2.821 -5.764 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.806 -1.466 -5.074 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.167 -3.250 -6.179 1.00 0.00 C ATOM 0 H LEU A 68 4.851 -5.365 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 68 4.422 -2.689 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.650 -3.847 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.312 -4.855 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 68 6.154 -2.732 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.260 -0.732 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.791 -1.154 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.395 -1.540 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.602 -2.491 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.789 -3.368 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.113 -4.198 -6.714 1.00 0.00 H new ATOM 1009 N CYS A 69 3.770 -5.332 -6.188 1.00 0.00 N ATOM 1010 CA CYS A 69 3.052 -5.777 -7.376 1.00 0.00 C ATOM 1011 C CYS A 69 1.614 -5.265 -7.367 1.00 0.00 C ATOM 1012 O CYS A 69 1.128 -4.728 -8.363 1.00 0.00 O ATOM 1013 CB CYS A 69 3.060 -7.304 -7.461 1.00 0.00 C ATOM 1014 SG CYS A 69 4.664 -8.012 -7.956 1.00 0.00 S ATOM 0 H CYS A 69 4.191 -6.085 -5.644 1.00 0.00 H new ATOM 0 HA CYS A 69 3.559 -5.368 -8.250 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.778 -7.713 -6.491 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.299 -7.622 -8.174 1.00 0.00 H new ATOM 0 HG CYS A 69 4.925 -7.678 -9.185 1.00 0.00 H new ATOM 1019 N LEU A 70 0.940 -5.434 -6.235 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.442 -4.989 -6.094 1.00 0.00 C ATOM 1021 C LEU A 70 -0.573 -3.505 -6.421 1.00 0.00 C ATOM 1022 O LEU A 70 -1.531 -3.083 -7.070 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.943 -5.256 -4.673 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.975 -6.721 -4.237 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.929 -6.827 -2.721 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.214 -7.413 -4.784 1.00 0.00 C ATOM 0 H LEU A 70 1.328 -5.876 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.052 -5.553 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.311 -4.704 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.950 -4.848 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.095 -7.221 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.953 -7.877 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.012 -6.368 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.790 -6.312 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.220 -8.455 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.106 -6.912 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.205 -7.368 -5.873 1.00 0.00 H new ATOM 1038 N LEU A 71 0.398 -2.718 -5.971 1.00 0.00 N ATOM 1039 CA LEU A 71 0.393 -1.280 -6.217 1.00 0.00 C ATOM 1040 C LEU A 71 0.455 -0.984 -7.713 1.00 0.00 C ATOM 1041 O LEU A 71 -0.363 -0.231 -8.240 1.00 0.00 O ATOM 1042 CB LEU A 71 1.574 -0.617 -5.506 1.00 0.00 C ATOM 1043 CG LEU A 71 1.727 0.889 -5.721 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.868 1.660 -4.731 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.187 1.300 -5.595 1.00 0.00 C ATOM 0 H LEU A 71 1.199 -3.051 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.537 -0.872 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.479 -0.803 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.491 -1.106 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 71 1.388 1.129 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.990 2.730 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.179 1.388 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.176 1.415 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.277 2.375 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.552 1.046 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.779 0.774 -6.344 1.00 0.00 H new ATOM 1057 N ALA A 72 1.429 -1.583 -8.389 1.00 0.00 N ATOM 1058 CA ALA A 72 1.595 -1.386 -9.824 1.00 0.00 C ATOM 1059 C ALA A 72 0.310 -1.720 -10.576 1.00 0.00 C ATOM 1060 O ALA A 72 -0.139 -0.952 -11.426 1.00 0.00 O ATOM 1061 CB ALA A 72 2.747 -2.234 -10.343 1.00 0.00 C ATOM 0 H ALA A 72 2.115 -2.209 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 72 1.825 -0.335 -9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.860 -2.077 -11.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.668 -1.947 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.540 -3.287 -10.150 1.00 0.00 H new ATOM 1067 N MET A 73 -0.275 -2.869 -10.257 1.00 0.00 N ATOM 1068 CA MET A 73 -1.509 -3.303 -10.902 1.00 0.00 C ATOM 1069 C MET A 73 -2.625 -2.287 -10.681 1.00 0.00 C ATOM 1070 O MET A 73 -3.429 -2.029 -11.577 1.00 0.00 O ATOM 1071 CB MET A 73 -1.935 -4.672 -10.367 1.00 0.00 C ATOM 1072 CG MET A 73 -2.813 -5.454 -11.331 1.00 0.00 C ATOM 1073 SD MET A 73 -3.705 -6.797 -10.524 1.00 0.00 S ATOM 1074 CE MET A 73 -4.582 -5.900 -9.245 1.00 0.00 C ATOM 0 H MET A 73 0.085 -3.517 -9.556 1.00 0.00 H new ATOM 0 HA MET A 73 -1.322 -3.382 -11.973 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.044 -5.259 -10.142 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.472 -4.535 -9.428 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.528 -4.776 -11.796 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.194 -5.862 -12.130 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.633 -6.188 -9.254 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.149 -6.136 -8.273 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.498 -4.829 -9.429 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.668 -1.715 -9.483 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.687 -0.729 -9.144 1.00 0.00 C ATOM 1086 C TYR A 74 -3.469 0.569 -9.916 1.00 0.00 C ATOM 1087 O TYR A 74 -4.412 1.149 -10.456 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.675 -0.448 -7.640 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.382 0.832 -7.257 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.730 2.056 -7.325 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.704 0.816 -6.828 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.372 3.228 -6.975 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.355 1.983 -6.477 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.685 3.187 -6.552 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.328 4.352 -6.204 1.00 0.00 O ATOM 0 H TYR A 74 -2.009 -1.917 -8.731 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.658 -1.138 -9.423 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.145 -1.282 -7.119 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.642 -0.399 -7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.703 2.092 -7.657 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.231 -0.125 -6.768 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.849 4.171 -7.032 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.383 1.953 -6.146 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.247 4.149 -5.930 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.220 1.018 -9.964 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.876 2.247 -10.670 1.00 0.00 C ATOM 1107 C CYS A 75 -2.323 2.181 -12.127 1.00 0.00 C ATOM 1108 O CYS A 75 -2.775 3.175 -12.693 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.369 2.496 -10.598 1.00 0.00 C ATOM 1110 SG CYS A 75 0.164 3.368 -9.106 1.00 0.00 S ATOM 0 H CYS A 75 -1.429 0.550 -9.523 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.397 3.073 -10.186 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.150 1.539 -10.651 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.065 3.073 -11.471 1.00 0.00 H new ATOM 0 HG CYS A 75 1.454 3.530 -9.135 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.788 4.144 -5.462 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.721 3.886 -4.036 1.00 0.00 C ATOM 1187 C GLY A 81 -10.132 2.470 -3.683 1.00 0.00 C ATOM 1188 O GLY A 81 -10.922 2.256 -2.764 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.705 4.064 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.367 4.590 -3.512 1.00 0.00 H new ATOM 1192 N SER A 82 -9.596 1.500 -4.417 1.00 0.00 N ATOM 1193 CA SER A 82 -9.916 0.097 -4.181 1.00 0.00 C ATOM 1194 C SER A 82 -8.871 -0.814 -4.819 1.00 0.00 C ATOM 1195 O SER A 82 -8.329 -0.506 -5.881 1.00 0.00 O ATOM 1196 CB SER A 82 -11.303 -0.232 -4.735 1.00 0.00 C ATOM 1197 OG SER A 82 -11.311 -0.186 -6.151 1.00 0.00 O ATOM 0 H SER A 82 -8.938 1.660 -5.180 1.00 0.00 H new ATOM 0 HA SER A 82 -9.913 -0.074 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.607 -1.223 -4.399 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.033 0.476 -4.341 1.00 0.00 H new ATOM 0 HG SER A 82 -12.208 -0.402 -6.480 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.595 -1.936 -4.164 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.615 -2.893 -4.667 1.00 0.00 C ATOM 1205 C LEU A 83 -8.268 -4.241 -4.954 1.00 0.00 C ATOM 1206 O LEU A 83 -8.832 -4.870 -4.059 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.479 -3.068 -3.657 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.197 -3.705 -4.193 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.427 -5.170 -4.527 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.697 -2.949 -5.416 1.00 0.00 C ATOM 0 H LEU A 83 -9.035 -2.206 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.207 -2.502 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.231 -2.089 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.845 -3.677 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.434 -3.647 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.503 -5.606 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.737 -5.704 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.206 -5.252 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.784 -3.416 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.458 -2.975 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.491 -1.914 -5.145 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.186 -4.679 -6.206 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.768 -5.953 -6.609 1.00 0.00 C ATOM 1224 C GLN A 84 -7.709 -7.051 -6.636 1.00 0.00 C ATOM 1225 O GLN A 84 -6.596 -6.843 -7.119 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.423 -5.826 -7.986 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.409 -6.940 -8.296 1.00 0.00 C ATOM 1228 CD GLN A 84 -10.670 -7.092 -9.781 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -9.890 -6.624 -10.611 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -11.772 -7.749 -10.125 1.00 0.00 N ATOM 0 H GLN A 84 -7.722 -4.170 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.528 -6.224 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.939 -4.868 -8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.645 -5.818 -8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.025 -7.880 -7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.350 -6.740 -7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.390 -8.120 -9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.000 -7.882 -11.110 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.064 -8.220 -6.115 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.145 -9.352 -6.078 1.00 0.00 C ATOM 1241 C CYS A 85 -7.179 -10.123 -7.394 1.00 0.00 C ATOM 1242 O CYS A 85 -8.216 -10.634 -7.816 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.498 -10.285 -4.918 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.235 -11.551 -4.571 1.00 0.00 S ATOM 0 H CYS A 85 -8.982 -8.409 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.137 -8.965 -5.930 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.654 -9.687 -4.020 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.443 -10.781 -5.139 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.539 -12.177 -3.473 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.017 -10.211 -8.058 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.887 -10.919 -9.335 1.00 0.00 C ATOM 1251 C PRO A 86 -6.023 -12.429 -9.177 1.00 0.00 C ATOM 1252 O PRO A 86 -5.869 -13.180 -10.141 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.474 -10.555 -9.800 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.733 -10.238 -8.547 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.740 -9.626 -7.613 1.00 0.00 C ATOM 0 HA PRO A 86 -6.669 -10.636 -10.040 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.009 -11.382 -10.337 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.488 -9.702 -10.478 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.296 -11.138 -8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.913 -9.548 -8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.526 -9.873 -6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.748 -8.539 -7.687 1.00 0.00 H new ATOM 1263 N SER A 87 -6.313 -12.868 -7.957 1.00 0.00 N ATOM 1264 CA SER A 87 -6.467 -14.290 -7.673 1.00 0.00 C ATOM 1265 C SER A 87 -7.942 -14.665 -7.559 1.00 0.00 C ATOM 1266 O SER A 87 -8.434 -15.525 -8.290 1.00 0.00 O ATOM 1267 CB SER A 87 -5.736 -14.655 -6.380 1.00 0.00 C ATOM 1268 OG SER A 87 -5.699 -16.060 -6.194 1.00 0.00 O ATOM 0 H SER A 87 -6.446 -12.260 -7.149 1.00 0.00 H new ATOM 0 HA SER A 87 -6.030 -14.850 -8.500 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.720 -14.262 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.234 -14.186 -5.532 1.00 0.00 H new ATOM 0 HG SER A 87 -5.371 -16.262 -5.293 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.642 -14.013 -6.637 1.00 0.00 N ATOM 1275 CA CYS A 88 -10.061 -14.276 -6.425 1.00 0.00 C ATOM 1276 C CYS A 88 -10.908 -13.095 -6.891 1.00 0.00 C ATOM 1277 O CYS A 88 -12.078 -12.975 -6.527 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.332 -14.562 -4.947 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.766 -13.248 -3.819 1.00 0.00 S ATOM 0 H CYS A 88 -8.250 -13.298 -6.024 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.336 -15.151 -7.013 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.403 -14.710 -4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.843 -15.497 -4.673 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.857 -13.723 -3.020 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.309 -12.226 -7.698 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.008 -11.055 -8.215 1.00 0.00 C ATOM 1286 C LYS A 89 -11.949 -10.475 -7.165 1.00 0.00 C ATOM 1287 O LYS A 89 -13.071 -10.072 -7.475 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.796 -11.421 -9.475 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.013 -11.220 -10.761 1.00 0.00 C ATOM 1290 CD LYS A 89 -9.711 -12.003 -10.750 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.960 -13.501 -10.835 1.00 0.00 C ATOM 1292 NZ LYS A 89 -8.843 -14.210 -11.519 1.00 0.00 N ATOM 0 H LYS A 89 -9.341 -12.310 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.263 -10.300 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.108 -12.463 -9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.703 -10.818 -9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.620 -11.534 -11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.800 -10.160 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.089 -11.688 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.157 -11.776 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.087 -13.906 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.890 -13.685 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.050 -15.228 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.738 -13.842 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.960 -14.056 -10.992 1.00 0.00 H new ATOM 1306 N THR A 90 -11.486 -10.433 -5.919 1.00 0.00 N ATOM 1307 CA THR A 90 -12.286 -9.902 -4.823 1.00 0.00 C ATOM 1308 C THR A 90 -12.037 -8.410 -4.633 1.00 0.00 C ATOM 1309 O THR A 90 -10.974 -8.004 -4.161 1.00 0.00 O ATOM 1310 CB THR A 90 -11.985 -10.633 -3.502 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.345 -12.015 -3.613 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.744 -9.998 -2.346 1.00 0.00 C ATOM 0 H THR A 90 -10.560 -10.761 -5.644 1.00 0.00 H new ATOM 0 HA THR A 90 -13.331 -10.062 -5.088 1.00 0.00 H new ATOM 0 HB THR A 90 -10.916 -10.551 -3.303 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.578 -12.527 -3.945 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.515 -10.532 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.446 -8.954 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.815 -10.052 -2.540 1.00 0.00 H new ATOM 1320 N ILE A 91 -13.022 -7.598 -5.003 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.909 -6.151 -4.871 1.00 0.00 C ATOM 1322 C ILE A 91 -12.941 -5.728 -3.406 1.00 0.00 C ATOM 1323 O ILE A 91 -13.752 -6.224 -2.624 1.00 0.00 O ATOM 1324 CB ILE A 91 -14.038 -5.427 -5.628 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -14.051 -5.851 -7.098 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.875 -3.919 -5.507 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.422 -5.792 -7.732 1.00 0.00 C ATOM 0 H ILE A 91 -13.907 -7.918 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.951 -5.868 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.992 -5.707 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.372 -5.208 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.666 -6.868 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.680 -3.421 -6.047 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.912 -3.632 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.916 -3.622 -5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.355 -6.106 -8.774 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -16.100 -6.456 -7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.801 -4.771 -7.684 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.055 -4.808 -3.043 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.981 -4.318 -1.671 1.00 0.00 C ATOM 1341 C TYR A 92 -12.561 -2.911 -1.563 1.00 0.00 C ATOM 1342 O TYR A 92 -12.330 -2.065 -2.425 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.531 -4.323 -1.183 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.947 -5.710 -1.036 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.870 -6.572 -2.123 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.473 -6.159 0.191 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.337 -7.840 -1.993 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.937 -7.425 0.330 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.872 -8.261 -0.765 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.340 -9.523 -0.631 1.00 0.00 O ATOM 0 H TYR A 92 -11.378 -4.386 -3.679 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.571 -4.984 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.919 -3.752 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.478 -3.812 -0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.233 -6.245 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.525 -5.507 1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.285 -8.498 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.571 -7.758 1.290 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.608 -10.074 -1.396 1.00 0.00 H new