USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 772 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 59 CYS SG : rot -60:sc= -2.12! USER MOD Set 1.2: A 69 TYR OH : rot -174:sc= -0.194 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 150:sc= -0.951 (180deg=-3.16!) USER MOD Set 2.2: A 12 LYS NZ :NH3+ 166:sc= -0.976 (180deg=-1.58) USER MOD Single : A 1 MET CE :methyl -148:sc= -0.386 (180deg=-1.58!) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00273 (180deg=-0.103) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.242 K(o=-0.24,f=-2!) USER MOD Single : A 7 LYS NZ :NH3+ -140:sc= -0.249 (180deg=-1.99!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0748 X(o=-0.075,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.137 (180deg=-0.423) USER MOD Single : A 20 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.84) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.5!) USER MOD Single : A 33 THR OG1 : rot 100:sc= 0.411 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.24 K(o=-0.24,f=-2.1!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.141) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -6.29! C(o=-6.3!,f=-5.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.930 1.258 11.070 1.00 0.00 N ATOM 2 CA MET A 1 -10.417 0.082 10.319 1.00 0.00 C ATOM 3 C MET A 1 -11.539 -0.624 9.566 1.00 0.00 C ATOM 4 O MET A 1 -12.636 -0.806 10.094 1.00 0.00 O ATOM 5 CB MET A 1 -9.758 -0.880 11.311 1.00 0.00 C ATOM 6 CG MET A 1 -10.675 -1.308 12.445 1.00 0.00 C ATOM 7 SD MET A 1 -10.445 -3.034 12.912 1.00 0.00 S ATOM 8 CE MET A 1 -10.794 -3.853 11.358 1.00 0.00 C ATOM 0 H1 MET A 1 -10.500 1.280 12.017 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.686 2.130 10.559 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.964 1.188 11.161 1.00 0.00 H new ATOM 0 HA MET A 1 -9.689 0.418 9.581 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.420 -1.766 10.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.872 -0.404 11.731 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.493 -0.674 13.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.712 -1.151 12.147 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.245 -4.826 11.553 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.483 -3.244 10.772 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.866 -3.988 10.802 1.00 0.00 H new ATOM 20 N LEU A 2 -11.258 -1.019 8.330 1.00 0.00 N ATOM 21 CA LEU A 2 -12.244 -1.707 7.503 1.00 0.00 C ATOM 22 C LEU A 2 -11.652 -2.968 6.884 1.00 0.00 C ATOM 23 O LEU A 2 -10.483 -3.286 7.097 1.00 0.00 O ATOM 24 CB LEU A 2 -12.755 -0.776 6.401 1.00 0.00 C ATOM 25 CG LEU A 2 -13.249 0.590 6.884 1.00 0.00 C ATOM 26 CD1 LEU A 2 -13.405 1.546 5.711 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.564 0.443 7.633 1.00 0.00 C ATOM 0 H LEU A 2 -10.355 -0.875 7.877 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.078 -1.996 8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.955 -0.621 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.569 -1.274 5.874 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.508 1.005 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.757 2.512 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.443 1.673 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.127 1.139 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.902 1.423 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.313 0.008 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.421 -0.208 8.496 1.00 0.00 H new ATOM 39 N LYS A 3 -12.468 -3.681 6.114 1.00 0.00 N ATOM 40 CA LYS A 3 -12.025 -4.907 5.461 1.00 0.00 C ATOM 41 C LYS A 3 -10.854 -4.631 4.525 1.00 0.00 C ATOM 42 O LYS A 3 -10.729 -3.536 3.978 1.00 0.00 O ATOM 43 CB LYS A 3 -13.179 -5.538 4.681 1.00 0.00 C ATOM 44 CG LYS A 3 -13.030 -7.037 4.478 1.00 0.00 C ATOM 45 CD LYS A 3 -12.440 -7.358 3.115 1.00 0.00 C ATOM 46 CE LYS A 3 -13.323 -6.847 1.989 1.00 0.00 C ATOM 47 NZ LYS A 3 -13.324 -7.769 0.819 1.00 0.00 N ATOM 0 H LYS A 3 -13.439 -3.431 5.927 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.694 -5.602 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.113 -5.343 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.256 -5.054 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.391 -7.449 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.004 -7.517 4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.449 -6.911 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.313 -8.436 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.342 -6.724 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.976 -5.863 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.938 -7.383 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.355 -7.867 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.679 -8.702 1.112 1.00 0.00 H new ATOM 61 N LEU A 4 -10.000 -5.632 4.343 1.00 0.00 N ATOM 62 CA LEU A 4 -8.839 -5.497 3.469 1.00 0.00 C ATOM 63 C LEU A 4 -8.861 -6.549 2.366 1.00 0.00 C ATOM 64 O LEU A 4 -9.300 -7.679 2.582 1.00 0.00 O ATOM 65 CB LEU A 4 -7.548 -5.618 4.280 1.00 0.00 C ATOM 66 CG LEU A 4 -6.259 -5.447 3.472 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.247 -4.619 4.247 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.675 -6.804 3.109 1.00 0.00 C ATOM 0 H LEU A 4 -10.089 -6.545 4.788 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.878 -4.511 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.564 -4.871 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.530 -6.595 4.763 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.499 -4.917 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.338 -4.509 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.666 -3.634 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.011 -5.119 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.759 -6.664 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.451 -7.359 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.396 -7.362 2.512 1.00 0.00 H new ATOM 80 N ASN A 5 -8.386 -6.171 1.184 1.00 0.00 N ATOM 81 CA ASN A 5 -8.352 -7.082 0.047 1.00 0.00 C ATOM 82 C ASN A 5 -6.974 -7.085 -0.609 1.00 0.00 C ATOM 83 O ASN A 5 -6.071 -6.365 -0.181 1.00 0.00 O ATOM 84 CB ASN A 5 -9.419 -6.692 -0.979 1.00 0.00 C ATOM 85 CG ASN A 5 -10.159 -7.894 -1.531 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.258 -8.931 -0.875 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.686 -7.760 -2.742 1.00 0.00 N ATOM 0 H ASN A 5 -8.019 -5.239 0.989 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.561 -8.087 0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.133 -6.011 -0.515 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.949 -6.150 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.197 -8.535 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.580 -6.882 -3.250 1.00 0.00 H new ATOM 94 N LEU A 6 -6.821 -7.896 -1.651 1.00 0.00 N ATOM 95 CA LEU A 6 -5.555 -7.992 -2.367 1.00 0.00 C ATOM 96 C LEU A 6 -5.787 -8.110 -3.869 1.00 0.00 C ATOM 97 O LEU A 6 -6.459 -9.031 -4.333 1.00 0.00 O ATOM 98 CB LEU A 6 -4.750 -9.193 -1.866 1.00 0.00 C ATOM 99 CG LEU A 6 -4.272 -9.093 -0.413 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.866 -10.215 0.424 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.753 -9.124 -0.346 1.00 0.00 C ATOM 0 H LEU A 6 -7.559 -8.497 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.989 -7.080 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.361 -10.090 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.881 -9.323 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.614 -8.142 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.515 -10.127 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.954 -10.147 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.556 -11.177 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.433 -9.052 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.389 -10.058 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.347 -8.284 -0.910 1.00 0.00 H new ATOM 113 N LYS A 7 -5.225 -7.172 -4.625 1.00 0.00 N ATOM 114 CA LYS A 7 -5.370 -7.171 -6.077 1.00 0.00 C ATOM 115 C LYS A 7 -4.213 -7.908 -6.740 1.00 0.00 C ATOM 116 O LYS A 7 -3.216 -8.232 -6.092 1.00 0.00 O ATOM 117 CB LYS A 7 -5.441 -5.734 -6.600 1.00 0.00 C ATOM 118 CG LYS A 7 -6.854 -5.176 -6.657 1.00 0.00 C ATOM 119 CD LYS A 7 -7.601 -5.671 -7.888 1.00 0.00 C ATOM 120 CE LYS A 7 -8.800 -6.525 -7.507 1.00 0.00 C ATOM 121 NZ LYS A 7 -8.502 -7.979 -7.615 1.00 0.00 N ATOM 0 H LYS A 7 -4.665 -6.403 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.296 -7.689 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.832 -5.094 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.004 -5.698 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.398 -5.468 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.816 -4.087 -6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.934 -4.818 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.925 -6.251 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.103 -6.291 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.642 -6.278 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.325 -8.473 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.679 -8.120 -8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.294 -8.362 -6.671 1.00 0.00 H new ATOM 135 N LYS A 8 -4.350 -8.172 -8.035 1.00 0.00 N ATOM 136 CA LYS A 8 -3.314 -8.872 -8.788 1.00 0.00 C ATOM 137 C LYS A 8 -2.042 -8.033 -8.870 1.00 0.00 C ATOM 138 O LYS A 8 -0.934 -8.553 -8.740 1.00 0.00 O ATOM 139 CB LYS A 8 -3.811 -9.206 -10.195 1.00 0.00 C ATOM 140 CG LYS A 8 -2.871 -10.113 -10.972 1.00 0.00 C ATOM 141 CD LYS A 8 -2.285 -9.406 -12.184 1.00 0.00 C ATOM 142 CE LYS A 8 -1.955 -10.389 -13.297 1.00 0.00 C ATOM 143 NZ LYS A 8 -0.834 -9.908 -14.149 1.00 0.00 N ATOM 0 H LYS A 8 -5.168 -7.912 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.084 -9.800 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.787 -9.685 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.951 -8.279 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.064 -10.446 -10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.409 -11.004 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.993 -8.663 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.383 -8.869 -11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.693 -11.354 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.839 -10.547 -13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.311 -10.723 -14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.213 -9.344 -14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.193 -9.320 -13.580 1.00 0.00 H new ATOM 157 N SER A 9 -2.210 -6.733 -9.088 1.00 0.00 N ATOM 158 CA SER A 9 -1.077 -5.821 -9.187 1.00 0.00 C ATOM 159 C SER A 9 -0.314 -5.759 -7.870 1.00 0.00 C ATOM 160 O SER A 9 0.906 -5.585 -7.854 1.00 0.00 O ATOM 161 CB SER A 9 -1.555 -4.424 -9.585 1.00 0.00 C ATOM 162 OG SER A 9 -0.753 -3.886 -10.622 1.00 0.00 O ATOM 0 H SER A 9 -3.121 -6.287 -9.200 1.00 0.00 H new ATOM 0 HA SER A 9 -0.403 -6.197 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.594 -4.471 -9.912 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.523 -3.765 -8.718 1.00 0.00 H new ATOM 0 HG SER A 9 -1.080 -2.993 -10.859 1.00 0.00 H new ATOM 168 N PHE A 10 -1.038 -5.902 -6.764 1.00 0.00 N ATOM 169 CA PHE A 10 -0.429 -5.864 -5.441 1.00 0.00 C ATOM 170 C PHE A 10 0.429 -7.102 -5.202 1.00 0.00 C ATOM 171 O PHE A 10 1.423 -7.052 -4.478 1.00 0.00 O ATOM 172 CB PHE A 10 -1.509 -5.761 -4.364 1.00 0.00 C ATOM 173 CG PHE A 10 -0.966 -5.450 -2.999 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.590 -4.160 -2.666 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.833 -6.449 -2.048 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.089 -3.871 -1.411 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.334 -6.167 -0.791 1.00 0.00 C ATOM 178 CZ PHE A 10 0.038 -4.876 -0.470 1.00 0.00 C ATOM 0 H PHE A 10 -2.048 -6.045 -6.759 1.00 0.00 H new ATOM 0 HA PHE A 10 0.213 -4.984 -5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.221 -4.987 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.060 -6.701 -4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.689 -3.370 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.123 -7.460 -2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.203 -2.861 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.235 -6.956 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.427 -4.652 0.513 1.00 0.00 H new ATOM 188 N GLN A 11 0.035 -8.215 -5.812 1.00 0.00 N ATOM 189 CA GLN A 11 0.767 -9.468 -5.666 1.00 0.00 C ATOM 190 C GLN A 11 2.172 -9.350 -6.249 1.00 0.00 C ATOM 191 O GLN A 11 3.156 -9.689 -5.590 1.00 0.00 O ATOM 192 CB GLN A 11 0.012 -10.608 -6.352 1.00 0.00 C ATOM 193 CG GLN A 11 -1.063 -11.236 -5.482 1.00 0.00 C ATOM 194 CD GLN A 11 -1.757 -12.401 -6.160 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.258 -13.527 -6.151 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.914 -12.135 -6.755 1.00 0.00 N ATOM 0 H GLN A 11 -0.787 -8.275 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 11 0.852 -9.687 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.447 -10.231 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.724 -11.378 -6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.616 -11.578 -4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.803 -10.479 -5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.290 -11.187 -6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.426 -12.879 -7.229 1.00 0.00 H new ATOM 205 N LYS A 12 2.260 -8.871 -7.485 1.00 0.00 N ATOM 206 CA LYS A 12 3.548 -8.712 -8.151 1.00 0.00 C ATOM 207 C LYS A 12 4.294 -7.485 -7.629 1.00 0.00 C ATOM 208 O LYS A 12 5.491 -7.325 -7.862 1.00 0.00 O ATOM 209 CB LYS A 12 3.353 -8.597 -9.665 1.00 0.00 C ATOM 210 CG LYS A 12 2.564 -9.749 -10.265 1.00 0.00 C ATOM 211 CD LYS A 12 2.313 -9.539 -11.749 1.00 0.00 C ATOM 212 CE LYS A 12 1.690 -10.767 -12.391 1.00 0.00 C ATOM 213 NZ LYS A 12 0.524 -11.268 -11.613 1.00 0.00 N ATOM 0 H LYS A 12 1.457 -8.586 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 12 4.148 -9.595 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.840 -7.661 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.330 -8.547 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.109 -10.681 -10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.612 -9.849 -9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.655 -8.681 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.253 -9.305 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.373 -10.525 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.439 -11.555 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.014 -11.945 -12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.860 -11.740 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.090 -10.469 -11.355 1.00 0.00 H new ATOM 227 N ASP A 13 3.583 -6.625 -6.916 1.00 0.00 N ATOM 228 CA ASP A 13 4.178 -5.420 -6.353 1.00 0.00 C ATOM 229 C ASP A 13 4.716 -5.686 -4.950 1.00 0.00 C ATOM 230 O ASP A 13 5.437 -4.866 -4.383 1.00 0.00 O ATOM 231 CB ASP A 13 3.153 -4.288 -6.311 1.00 0.00 C ATOM 232 CG ASP A 13 3.172 -3.444 -7.569 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.265 -2.984 -7.960 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.091 -3.240 -8.164 1.00 0.00 O ATOM 0 H ASP A 13 2.590 -6.739 -6.712 1.00 0.00 H new ATOM 0 HA ASP A 13 5.008 -5.123 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.157 -4.709 -6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.352 -3.653 -5.448 1.00 0.00 H new ATOM 239 N PHE A 14 4.351 -6.838 -4.394 1.00 0.00 N ATOM 240 CA PHE A 14 4.785 -7.217 -3.059 1.00 0.00 C ATOM 241 C PHE A 14 6.086 -8.006 -3.108 1.00 0.00 C ATOM 242 O PHE A 14 7.145 -7.487 -2.771 1.00 0.00 O ATOM 243 CB PHE A 14 3.696 -8.041 -2.366 1.00 0.00 C ATOM 244 CG PHE A 14 4.091 -8.542 -1.004 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.503 -7.659 -0.021 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.049 -9.896 -0.712 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.865 -8.116 1.232 1.00 0.00 C ATOM 248 CE2 PHE A 14 4.410 -10.360 0.539 1.00 0.00 C ATOM 249 CZ PHE A 14 4.820 -9.469 1.513 1.00 0.00 C ATOM 0 H PHE A 14 3.753 -7.526 -4.852 1.00 0.00 H new ATOM 0 HA PHE A 14 4.963 -6.305 -2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.797 -7.432 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.441 -8.893 -2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.542 -6.601 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.731 -10.596 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.183 -7.417 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.372 -11.417 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.104 -9.829 2.491 1.00 0.00 H new ATOM 259 N ASP A 15 5.995 -9.267 -3.519 1.00 0.00 N ATOM 260 CA ASP A 15 7.163 -10.136 -3.595 1.00 0.00 C ATOM 261 C ASP A 15 7.836 -10.063 -4.960 1.00 0.00 C ATOM 262 O ASP A 15 9.054 -10.213 -5.063 1.00 0.00 O ATOM 263 CB ASP A 15 6.765 -11.582 -3.291 1.00 0.00 C ATOM 264 CG ASP A 15 7.940 -12.418 -2.822 1.00 0.00 C ATOM 265 OD1 ASP A 15 8.621 -12.000 -1.861 1.00 0.00 O ATOM 266 OD2 ASP A 15 8.181 -13.491 -3.415 1.00 0.00 O ATOM 0 H ASP A 15 5.122 -9.710 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 15 7.879 -9.788 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.989 -11.589 -2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.335 -12.033 -4.185 1.00 0.00 H new ATOM 271 N LYS A 16 7.051 -9.835 -6.010 1.00 0.00 N ATOM 272 CA LYS A 16 7.613 -9.751 -7.354 1.00 0.00 C ATOM 273 C LYS A 16 8.296 -8.404 -7.573 1.00 0.00 C ATOM 274 O LYS A 16 9.048 -8.228 -8.529 1.00 0.00 O ATOM 275 CB LYS A 16 6.532 -9.979 -8.407 1.00 0.00 C ATOM 276 CG LYS A 16 7.005 -10.799 -9.596 1.00 0.00 C ATOM 277 CD LYS A 16 5.961 -11.818 -10.024 1.00 0.00 C ATOM 278 CE LYS A 16 5.646 -12.800 -8.906 1.00 0.00 C ATOM 279 NZ LYS A 16 4.256 -12.636 -8.397 1.00 0.00 N ATOM 0 H LYS A 16 6.040 -9.707 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 16 8.363 -10.536 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.685 -10.483 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.173 -9.013 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.229 -10.135 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.932 -11.312 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.049 -11.302 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.320 -12.363 -10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.782 -13.819 -9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.351 -12.657 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.206 -12.965 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.986 -11.633 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.604 -13.196 -8.982 1.00 0.00 H new ATOM 293 N LEU A 17 8.045 -7.463 -6.666 1.00 0.00 N ATOM 294 CA LEU A 17 8.653 -6.146 -6.745 1.00 0.00 C ATOM 295 C LEU A 17 10.007 -6.167 -6.050 1.00 0.00 C ATOM 296 O LEU A 17 10.925 -5.441 -6.430 1.00 0.00 O ATOM 297 CB LEU A 17 7.742 -5.102 -6.095 1.00 0.00 C ATOM 298 CG LEU A 17 8.378 -3.731 -5.874 1.00 0.00 C ATOM 299 CD1 LEU A 17 8.598 -3.022 -7.201 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.513 -2.886 -4.950 1.00 0.00 C ATOM 0 H LEU A 17 7.423 -7.593 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 17 8.792 -5.879 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.856 -4.978 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.404 -5.487 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 17 9.349 -3.874 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.052 -2.047 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.259 -3.620 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.641 -2.889 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.981 -1.912 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.528 -2.752 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.410 -3.388 -3.988 1.00 0.00 H new ATOM 312 N LEU A 18 10.118 -7.013 -5.027 1.00 0.00 N ATOM 313 CA LEU A 18 11.362 -7.146 -4.267 1.00 0.00 C ATOM 314 C LEU A 18 12.574 -7.237 -5.196 1.00 0.00 C ATOM 315 O LEU A 18 13.554 -6.511 -5.027 1.00 0.00 O ATOM 316 CB LEU A 18 11.306 -8.396 -3.384 1.00 0.00 C ATOM 317 CG LEU A 18 10.808 -8.195 -1.948 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.601 -7.272 -1.900 1.00 0.00 C ATOM 319 CD2 LEU A 18 10.471 -9.539 -1.325 1.00 0.00 C ATOM 0 H LEU A 18 9.362 -7.617 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 18 11.469 -6.258 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.661 -9.129 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.305 -8.829 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 18 11.607 -7.723 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.275 -7.152 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.871 -6.299 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.791 -7.702 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.118 -9.389 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.692 -10.026 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.361 -10.167 -1.312 1.00 0.00 H new ATOM 331 N LEU A 19 12.503 -8.143 -6.167 1.00 0.00 N ATOM 332 CA LEU A 19 13.596 -8.346 -7.116 1.00 0.00 C ATOM 333 C LEU A 19 13.708 -7.194 -8.116 1.00 0.00 C ATOM 334 O LEU A 19 14.646 -7.148 -8.912 1.00 0.00 O ATOM 335 CB LEU A 19 13.402 -9.664 -7.866 1.00 0.00 C ATOM 336 CG LEU A 19 12.138 -9.738 -8.725 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.407 -9.192 -10.118 1.00 0.00 C ATOM 338 CD2 LEU A 19 11.630 -11.170 -8.800 1.00 0.00 C ATOM 0 H LEU A 19 11.698 -8.751 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 19 14.523 -8.381 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.268 -9.832 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.379 -10.478 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 19 11.367 -9.123 -8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.497 -9.253 -10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.725 -8.152 -10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.192 -9.779 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.730 -11.205 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.397 -11.805 -9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.398 -11.527 -7.797 1.00 0.00 H new ATOM 350 N ASN A 20 12.754 -6.268 -8.079 1.00 0.00 N ATOM 351 CA ASN A 20 12.764 -5.129 -8.992 1.00 0.00 C ATOM 352 C ASN A 20 13.460 -3.927 -8.361 1.00 0.00 C ATOM 353 O ASN A 20 13.040 -2.785 -8.551 1.00 0.00 O ATOM 354 CB ASN A 20 11.336 -4.757 -9.391 1.00 0.00 C ATOM 355 CG ASN A 20 11.298 -3.713 -10.490 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.536 -4.016 -11.659 1.00 0.00 O ATOM 357 ND2 ASN A 20 10.997 -2.475 -10.119 1.00 0.00 N ATOM 0 H ASN A 20 11.967 -6.283 -7.430 1.00 0.00 H new ATOM 0 HA ASN A 20 13.320 -5.417 -9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.810 -5.651 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.803 -4.381 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.956 -1.730 -10.814 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.807 -2.268 -9.138 1.00 0.00 H new ATOM 364 N GLY A 21 14.523 -4.188 -7.608 1.00 0.00 N ATOM 365 CA GLY A 21 15.256 -3.114 -6.961 1.00 0.00 C ATOM 366 C GLY A 21 14.537 -2.586 -5.734 1.00 0.00 C ATOM 367 O GLY A 21 14.755 -1.449 -5.318 1.00 0.00 O ATOM 0 H GLY A 21 14.891 -5.123 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.245 -3.473 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.406 -2.300 -7.670 1.00 0.00 H new ATOM 371 N PHE A 22 13.674 -3.416 -5.161 1.00 0.00 N ATOM 372 CA PHE A 22 12.912 -3.036 -3.979 1.00 0.00 C ATOM 373 C PHE A 22 13.395 -3.805 -2.751 1.00 0.00 C ATOM 374 O PHE A 22 13.431 -5.035 -2.751 1.00 0.00 O ATOM 375 CB PHE A 22 11.424 -3.297 -4.219 1.00 0.00 C ATOM 376 CG PHE A 22 10.566 -3.086 -3.007 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.333 -4.126 -2.125 1.00 0.00 C ATOM 378 CD2 PHE A 22 9.990 -1.852 -2.752 1.00 0.00 C ATOM 379 CE1 PHE A 22 9.541 -3.941 -1.008 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.196 -1.659 -1.638 1.00 0.00 C ATOM 381 CZ PHE A 22 8.972 -2.706 -0.764 1.00 0.00 C ATOM 0 H PHE A 22 13.484 -4.360 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 22 13.064 -1.973 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.075 -2.642 -5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.297 -4.322 -4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.775 -5.093 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.164 -1.031 -3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.367 -4.761 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.752 -0.693 -1.451 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.353 -2.559 0.109 1.00 0.00 H new ATOM 391 N ASP A 23 13.766 -3.071 -1.707 1.00 0.00 N ATOM 392 CA ASP A 23 14.247 -3.683 -0.472 1.00 0.00 C ATOM 393 C ASP A 23 13.145 -4.499 0.197 1.00 0.00 C ATOM 394 O ASP A 23 11.980 -4.102 0.199 1.00 0.00 O ATOM 395 CB ASP A 23 14.755 -2.608 0.490 1.00 0.00 C ATOM 396 CG ASP A 23 15.675 -3.175 1.555 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.419 -4.304 2.021 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.652 -2.487 1.922 1.00 0.00 O ATOM 0 H ASP A 23 13.743 -2.051 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 23 15.068 -4.353 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.285 -1.841 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.905 -2.122 0.969 1.00 0.00 H new ATOM 403 N ASP A 24 13.521 -5.643 0.760 1.00 0.00 N ATOM 404 CA ASP A 24 12.563 -6.516 1.430 1.00 0.00 C ATOM 405 C ASP A 24 12.507 -6.233 2.929 1.00 0.00 C ATOM 406 O ASP A 24 11.532 -6.577 3.596 1.00 0.00 O ATOM 407 CB ASP A 24 12.929 -7.982 1.192 1.00 0.00 C ATOM 408 CG ASP A 24 14.339 -8.309 1.641 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.605 -8.241 2.860 1.00 0.00 O ATOM 410 OD2 ASP A 24 15.180 -8.632 0.774 1.00 0.00 O ATOM 0 H ASP A 24 14.481 -5.987 0.766 1.00 0.00 H new ATOM 0 HA ASP A 24 11.578 -6.316 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.224 -8.620 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.827 -8.211 0.131 1.00 0.00 H new ATOM 415 N SER A 25 13.557 -5.609 3.456 1.00 0.00 N ATOM 416 CA SER A 25 13.619 -5.287 4.877 1.00 0.00 C ATOM 417 C SER A 25 12.747 -4.080 5.210 1.00 0.00 C ATOM 418 O SER A 25 12.279 -3.932 6.339 1.00 0.00 O ATOM 419 CB SER A 25 15.064 -5.014 5.297 1.00 0.00 C ATOM 420 OG SER A 25 15.935 -6.025 4.818 1.00 0.00 O ATOM 0 H SER A 25 14.375 -5.317 2.921 1.00 0.00 H new ATOM 0 HA SER A 25 13.239 -6.146 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.381 -4.045 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.126 -4.961 6.384 1.00 0.00 H new ATOM 0 HG SER A 25 16.853 -5.826 5.099 1.00 0.00 H new ATOM 426 N VAL A 26 12.535 -3.215 4.222 1.00 0.00 N ATOM 427 CA VAL A 26 11.721 -2.020 4.416 1.00 0.00 C ATOM 428 C VAL A 26 10.231 -2.349 4.374 1.00 0.00 C ATOM 429 O VAL A 26 9.428 -1.719 5.064 1.00 0.00 O ATOM 430 CB VAL A 26 12.035 -0.950 3.351 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.690 -1.456 1.958 1.00 0.00 C ATOM 432 CG2 VAL A 26 11.292 0.343 3.656 1.00 0.00 C ATOM 0 H VAL A 26 12.915 -3.319 3.281 1.00 0.00 H new ATOM 0 HA VAL A 26 11.969 -1.626 5.401 1.00 0.00 H new ATOM 0 HB VAL A 26 13.105 -0.744 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.920 -0.684 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.275 -2.350 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.628 -1.697 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.526 1.086 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.219 0.154 3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.598 0.717 4.633 1.00 0.00 H new ATOM 442 N LEU A 27 9.868 -3.333 3.560 1.00 0.00 N ATOM 443 CA LEU A 27 8.474 -3.739 3.428 1.00 0.00 C ATOM 444 C LEU A 27 7.925 -4.254 4.756 1.00 0.00 C ATOM 445 O LEU A 27 6.764 -4.022 5.091 1.00 0.00 O ATOM 446 CB LEU A 27 8.336 -4.810 2.341 1.00 0.00 C ATOM 447 CG LEU A 27 8.639 -6.245 2.783 1.00 0.00 C ATOM 448 CD1 LEU A 27 7.370 -6.937 3.262 1.00 0.00 C ATOM 449 CD2 LEU A 27 9.281 -7.029 1.646 1.00 0.00 C ATOM 0 H LEU A 27 10.519 -3.864 2.982 1.00 0.00 H new ATOM 0 HA LEU A 27 7.890 -2.865 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.319 -4.776 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.003 -4.554 1.517 1.00 0.00 H new ATOM 0 HG LEU A 27 9.343 -6.208 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.606 -7.955 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.953 -6.388 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.642 -6.964 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.489 -8.046 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.601 -7.057 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.212 -6.546 1.351 1.00 0.00 H new ATOM 461 N ASN A 28 8.766 -4.955 5.508 1.00 0.00 N ATOM 462 CA ASN A 28 8.365 -5.502 6.799 1.00 0.00 C ATOM 463 C ASN A 28 7.907 -4.395 7.745 1.00 0.00 C ATOM 464 O ASN A 28 7.132 -4.637 8.670 1.00 0.00 O ATOM 465 CB ASN A 28 9.519 -6.281 7.429 1.00 0.00 C ATOM 466 CG ASN A 28 9.067 -7.155 8.582 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.885 -7.183 8.927 1.00 0.00 O ATOM 468 ND2 ASN A 28 10.006 -7.873 9.184 1.00 0.00 N ATOM 0 H ASN A 28 9.731 -5.158 5.246 1.00 0.00 H new ATOM 0 HA ASN A 28 7.528 -6.179 6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.991 -6.903 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.276 -5.581 7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.761 -8.480 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.973 -7.819 8.864 1.00 0.00 H new ATOM 475 N GLU A 29 8.393 -3.179 7.509 1.00 0.00 N ATOM 476 CA GLU A 29 8.033 -2.038 8.340 1.00 0.00 C ATOM 477 C GLU A 29 6.622 -1.550 8.022 1.00 0.00 C ATOM 478 O GLU A 29 5.903 -1.080 8.903 1.00 0.00 O ATOM 479 CB GLU A 29 9.037 -0.900 8.141 1.00 0.00 C ATOM 480 CG GLU A 29 10.459 -1.271 8.522 1.00 0.00 C ATOM 481 CD GLU A 29 11.243 -0.095 9.067 1.00 0.00 C ATOM 482 OE1 GLU A 29 10.992 0.301 10.226 1.00 0.00 O ATOM 483 OE2 GLU A 29 12.110 0.432 8.337 1.00 0.00 O ATOM 0 H GLU A 29 9.037 -2.960 6.749 1.00 0.00 H new ATOM 0 HA GLU A 29 8.057 -2.359 9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.019 -0.589 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.723 -0.041 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.436 -2.064 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.973 -1.671 7.648 1.00 0.00 H new ATOM 490 N VAL A 30 6.236 -1.658 6.755 1.00 0.00 N ATOM 491 CA VAL A 30 4.914 -1.222 6.320 1.00 0.00 C ATOM 492 C VAL A 30 3.892 -2.357 6.404 1.00 0.00 C ATOM 493 O VAL A 30 2.718 -2.128 6.690 1.00 0.00 O ATOM 494 CB VAL A 30 4.952 -0.681 4.878 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.393 -1.765 3.907 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.597 -0.117 4.476 1.00 0.00 C ATOM 0 H VAL A 30 6.819 -2.043 6.012 1.00 0.00 H new ATOM 0 HA VAL A 30 4.609 -0.423 6.995 1.00 0.00 H new ATOM 0 HB VAL A 30 5.681 0.128 4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.413 -1.361 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.390 -2.113 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.693 -2.599 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.648 0.259 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.844 -0.902 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.327 0.697 5.149 1.00 0.00 H new ATOM 506 N ILE A 31 4.345 -3.580 6.139 1.00 0.00 N ATOM 507 CA ILE A 31 3.467 -4.747 6.171 1.00 0.00 C ATOM 508 C ILE A 31 3.044 -5.099 7.598 1.00 0.00 C ATOM 509 O ILE A 31 1.863 -5.326 7.862 1.00 0.00 O ATOM 510 CB ILE A 31 4.143 -5.970 5.498 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.736 -6.051 4.025 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.790 -7.269 6.214 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.269 -4.913 3.184 1.00 0.00 C ATOM 0 H ILE A 31 5.314 -3.789 5.900 1.00 0.00 H new ATOM 0 HA ILE A 31 2.570 -4.488 5.608 1.00 0.00 H new ATOM 0 HB ILE A 31 5.222 -5.835 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.091 -6.995 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.648 -6.062 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.281 -8.104 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.126 -7.217 7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.710 -7.416 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.940 -5.038 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.893 -3.966 3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.358 -4.913 3.220 1.00 0.00 H new ATOM 525 N LEU A 32 4.007 -5.155 8.514 1.00 0.00 N ATOM 526 CA LEU A 32 3.713 -5.495 9.903 1.00 0.00 C ATOM 527 C LEU A 32 2.740 -4.495 10.532 1.00 0.00 C ATOM 528 O LEU A 32 2.156 -4.770 11.576 1.00 0.00 O ATOM 529 CB LEU A 32 5.006 -5.582 10.729 1.00 0.00 C ATOM 530 CG LEU A 32 5.383 -4.324 11.518 1.00 0.00 C ATOM 531 CD1 LEU A 32 6.704 -4.527 12.245 1.00 0.00 C ATOM 532 CD2 LEU A 32 5.460 -3.119 10.594 1.00 0.00 C ATOM 0 H LEU A 32 4.992 -4.971 8.321 1.00 0.00 H new ATOM 0 HA LEU A 32 3.233 -6.474 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.911 -6.412 11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.828 -5.825 10.056 1.00 0.00 H new ATOM 0 HG LEU A 32 4.608 -4.137 12.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.956 -3.624 12.800 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.614 -5.365 12.937 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.490 -4.738 11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.729 -2.234 11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.215 -3.296 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.491 -2.962 10.119 1.00 0.00 H new ATOM 544 N THR A 33 2.571 -3.338 9.898 1.00 0.00 N ATOM 545 CA THR A 33 1.666 -2.316 10.413 1.00 0.00 C ATOM 546 C THR A 33 0.256 -2.496 9.852 1.00 0.00 C ATOM 547 O THR A 33 -0.725 -2.089 10.476 1.00 0.00 O ATOM 548 CB THR A 33 2.187 -0.919 10.067 1.00 0.00 C ATOM 549 OG1 THR A 33 3.478 -0.715 10.615 1.00 0.00 O ATOM 550 CG2 THR A 33 1.295 0.196 10.570 1.00 0.00 C ATOM 0 H THR A 33 3.046 -3.086 9.031 1.00 0.00 H new ATOM 0 HA THR A 33 1.622 -2.424 11.497 1.00 0.00 H new ATOM 0 HB THR A 33 2.209 -0.882 8.978 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.154 -0.845 9.917 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.723 1.159 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.304 0.097 10.127 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.215 0.136 11.655 1.00 0.00 H new ATOM 558 N LEU A 34 0.162 -3.097 8.669 1.00 0.00 N ATOM 559 CA LEU A 34 -1.129 -3.318 8.024 1.00 0.00 C ATOM 560 C LEU A 34 -1.760 -4.631 8.477 1.00 0.00 C ATOM 561 O LEU A 34 -2.947 -4.678 8.805 1.00 0.00 O ATOM 562 CB LEU A 34 -0.963 -3.320 6.503 1.00 0.00 C ATOM 563 CG LEU A 34 -0.339 -2.052 5.918 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.276 -2.338 4.557 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.379 -0.946 5.816 1.00 0.00 C ATOM 0 H LEU A 34 0.963 -3.439 8.138 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.792 -2.504 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.346 -4.173 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.941 -3.469 6.046 1.00 0.00 H new ATOM 0 HG LEU A 34 0.454 -1.717 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.715 -1.424 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.051 -3.098 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.496 -2.698 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.918 -0.051 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.194 -1.271 5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.771 -0.723 6.808 1.00 0.00 H new ATOM 577 N ARG A 35 -0.967 -5.697 8.485 1.00 0.00 N ATOM 578 CA ARG A 35 -1.454 -7.012 8.890 1.00 0.00 C ATOM 579 C ARG A 35 -1.645 -7.105 10.404 1.00 0.00 C ATOM 580 O ARG A 35 -2.141 -8.111 10.911 1.00 0.00 O ATOM 581 CB ARG A 35 -0.486 -8.100 8.423 1.00 0.00 C ATOM 582 CG ARG A 35 -0.117 -7.996 6.952 1.00 0.00 C ATOM 583 CD ARG A 35 0.768 -9.153 6.516 1.00 0.00 C ATOM 584 NE ARG A 35 0.033 -10.415 6.469 1.00 0.00 N ATOM 585 CZ ARG A 35 0.615 -11.612 6.469 1.00 0.00 C ATOM 586 NH1 ARG A 35 1.937 -11.714 6.513 1.00 0.00 N ATOM 587 NH2 ARG A 35 -0.127 -12.709 6.425 1.00 0.00 N ATOM 0 H ARG A 35 0.017 -5.677 8.216 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.426 -7.161 8.419 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.423 -8.047 9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.933 -9.077 8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.024 -7.983 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.400 -7.053 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.186 -8.940 5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.607 -9.247 7.205 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.986 -10.376 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.513 -10.873 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.378 -12.634 6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.144 -12.636 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.319 -13.626 6.425 1.00 0.00 H new ATOM 601 N LYS A 36 -1.247 -6.059 11.124 1.00 0.00 N ATOM 602 CA LYS A 36 -1.375 -6.043 12.577 1.00 0.00 C ATOM 603 C LYS A 36 -2.621 -5.290 13.017 1.00 0.00 C ATOM 604 O LYS A 36 -2.681 -4.768 14.131 1.00 0.00 O ATOM 605 CB LYS A 36 -0.149 -5.396 13.200 1.00 0.00 C ATOM 606 CG LYS A 36 0.904 -6.397 13.644 1.00 0.00 C ATOM 607 CD LYS A 36 0.883 -6.591 15.152 1.00 0.00 C ATOM 608 CE LYS A 36 2.067 -5.904 15.815 1.00 0.00 C ATOM 609 NZ LYS A 36 1.644 -4.732 16.631 1.00 0.00 N ATOM 0 H LYS A 36 -0.835 -5.215 10.726 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.460 -7.076 12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.295 -4.709 12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.459 -4.801 14.059 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.731 -7.353 13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.890 -6.052 13.334 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.046 -6.192 15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.901 -7.656 15.384 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.592 -6.618 16.450 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.772 -5.578 15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.480 -4.292 17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.166 -4.039 16.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.991 -5.046 17.377 1.00 0.00 H new ATOM 623 N LYS A 37 -3.610 -5.237 12.138 1.00 0.00 N ATOM 624 CA LYS A 37 -4.866 -4.549 12.426 1.00 0.00 C ATOM 625 C LYS A 37 -4.615 -3.171 13.036 1.00 0.00 C ATOM 626 O LYS A 37 -5.422 -2.673 13.821 1.00 0.00 O ATOM 627 CB LYS A 37 -5.730 -5.391 13.370 1.00 0.00 C ATOM 628 CG LYS A 37 -5.065 -5.703 14.702 1.00 0.00 C ATOM 629 CD LYS A 37 -6.036 -6.361 15.669 1.00 0.00 C ATOM 630 CE LYS A 37 -5.378 -6.650 17.008 1.00 0.00 C ATOM 631 NZ LYS A 37 -6.229 -7.519 17.868 1.00 0.00 N ATOM 0 H LYS A 37 -3.569 -5.664 11.213 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.396 -4.412 11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.666 -4.864 13.557 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.985 -6.328 12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.211 -6.361 14.538 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.679 -4.783 15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.898 -5.711 15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.408 -7.290 15.237 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.415 -7.134 16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.179 -5.711 17.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.745 -7.693 18.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.138 -7.047 18.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.399 -8.425 17.386 1.00 0.00 H new ATOM 645 N GLU A 38 -3.493 -2.560 12.668 1.00 0.00 N ATOM 646 CA GLU A 38 -3.138 -1.242 13.176 1.00 0.00 C ATOM 647 C GLU A 38 -3.690 -0.144 12.268 1.00 0.00 C ATOM 648 O GLU A 38 -3.511 -0.191 11.051 1.00 0.00 O ATOM 649 CB GLU A 38 -1.617 -1.110 13.289 1.00 0.00 C ATOM 650 CG GLU A 38 -1.168 -0.212 14.430 1.00 0.00 C ATOM 651 CD GLU A 38 -0.875 1.205 13.977 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.182 1.420 13.345 1.00 0.00 O ATOM 653 OE2 GLU A 38 -1.700 2.100 14.254 1.00 0.00 O ATOM 0 H GLU A 38 -2.814 -2.958 12.019 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.580 -1.128 14.166 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.184 -2.101 13.425 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.224 -0.716 12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.942 -0.191 15.197 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.275 -0.634 14.890 1.00 0.00 H new ATOM 660 N PRO A 39 -4.371 0.862 12.845 1.00 0.00 N ATOM 661 CA PRO A 39 -4.946 1.966 12.073 1.00 0.00 C ATOM 662 C PRO A 39 -3.891 2.970 11.619 1.00 0.00 C ATOM 663 O PRO A 39 -2.886 3.177 12.298 1.00 0.00 O ATOM 664 CB PRO A 39 -5.913 2.616 13.062 1.00 0.00 C ATOM 665 CG PRO A 39 -5.317 2.342 14.400 1.00 0.00 C ATOM 666 CD PRO A 39 -4.637 1.003 14.291 1.00 0.00 C ATOM 0 HA PRO A 39 -5.419 1.620 11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.006 3.687 12.881 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.913 2.190 12.978 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.604 3.119 14.675 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.086 2.326 15.173 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.715 0.973 14.872 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.273 0.199 14.661 1.00 0.00 H new ATOM 674 N LEU A 40 -4.129 3.591 10.469 1.00 0.00 N ATOM 675 CA LEU A 40 -3.200 4.575 9.926 1.00 0.00 C ATOM 676 C LEU A 40 -3.548 5.977 10.412 1.00 0.00 C ATOM 677 O LEU A 40 -4.721 6.328 10.540 1.00 0.00 O ATOM 678 CB LEU A 40 -3.217 4.533 8.396 1.00 0.00 C ATOM 679 CG LEU A 40 -3.103 3.136 7.785 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.474 3.164 6.311 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.698 2.586 7.972 1.00 0.00 C ATOM 0 H LEU A 40 -4.957 3.431 9.895 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.199 4.326 10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.142 4.992 8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.396 5.145 8.022 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.802 2.478 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.386 2.160 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.500 3.514 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.802 3.837 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.635 1.591 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.981 3.246 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.469 2.526 9.036 1.00 0.00 H new ATOM 693 N ASP A 41 -2.520 6.774 10.687 1.00 0.00 N ATOM 694 CA ASP A 41 -2.717 8.139 11.162 1.00 0.00 C ATOM 695 C ASP A 41 -3.190 9.050 10.031 1.00 0.00 C ATOM 696 O ASP A 41 -2.970 8.759 8.855 1.00 0.00 O ATOM 697 CB ASP A 41 -1.418 8.683 11.760 1.00 0.00 C ATOM 698 CG ASP A 41 -1.147 8.137 13.147 1.00 0.00 C ATOM 699 OD1 ASP A 41 -0.764 6.952 13.254 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.315 8.893 14.126 1.00 0.00 O ATOM 0 H ASP A 41 -1.543 6.498 10.589 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.487 8.120 11.933 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.585 8.430 11.104 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.469 9.771 11.804 1.00 0.00 H new ATOM 705 N PRO A 42 -3.848 10.170 10.375 1.00 0.00 N ATOM 706 CA PRO A 42 -4.351 11.127 9.384 1.00 0.00 C ATOM 707 C PRO A 42 -3.230 11.902 8.697 1.00 0.00 C ATOM 708 O PRO A 42 -3.465 12.613 7.719 1.00 0.00 O ATOM 709 CB PRO A 42 -5.223 12.071 10.214 1.00 0.00 C ATOM 710 CG PRO A 42 -4.656 11.999 11.589 1.00 0.00 C ATOM 711 CD PRO A 42 -4.150 10.593 11.756 1.00 0.00 C ATOM 0 HA PRO A 42 -4.886 10.629 8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.188 13.088 9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.268 11.760 10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.850 12.721 11.717 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.414 12.232 12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.264 10.558 12.390 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.898 9.949 12.219 1.00 0.00 H new ATOM 719 N GLN A 43 -2.010 11.764 9.212 1.00 0.00 N ATOM 720 CA GLN A 43 -0.858 12.452 8.641 1.00 0.00 C ATOM 721 C GLN A 43 -0.100 11.541 7.680 1.00 0.00 C ATOM 722 O GLN A 43 1.117 11.654 7.533 1.00 0.00 O ATOM 723 CB GLN A 43 0.077 12.933 9.753 1.00 0.00 C ATOM 724 CG GLN A 43 -0.644 13.649 10.884 1.00 0.00 C ATOM 725 CD GLN A 43 -0.039 15.004 11.196 1.00 0.00 C ATOM 726 OE1 GLN A 43 0.465 15.235 12.296 1.00 0.00 O ATOM 727 NE2 GLN A 43 -0.084 15.911 10.226 1.00 0.00 N ATOM 0 H GLN A 43 -1.796 11.183 10.022 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.221 13.315 8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.615 12.077 10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.822 13.604 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.693 13.776 10.618 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.615 13.028 11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.511 15.678 9.329 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.308 16.840 10.378 1.00 0.00 H new ATOM 736 N PHE A 44 -0.828 10.640 7.029 1.00 0.00 N ATOM 737 CA PHE A 44 -0.228 9.709 6.081 1.00 0.00 C ATOM 738 C PHE A 44 -0.442 10.170 4.638 1.00 0.00 C ATOM 739 O PHE A 44 0.160 9.628 3.711 1.00 0.00 O ATOM 740 CB PHE A 44 -0.812 8.309 6.274 1.00 0.00 C ATOM 741 CG PHE A 44 -0.131 7.510 7.352 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.363 8.130 8.490 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.014 6.138 7.224 1.00 0.00 C ATOM 744 CE1 PHE A 44 0.989 7.395 9.477 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.638 5.398 8.211 1.00 0.00 C ATOM 746 CZ PHE A 44 1.127 6.028 9.338 1.00 0.00 C ATOM 0 H PHE A 44 -1.836 10.535 7.141 1.00 0.00 H new ATOM 0 HA PHE A 44 0.845 9.681 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.871 8.397 6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.743 7.764 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.257 9.199 8.605 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.365 5.641 6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.371 7.889 10.358 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.743 4.329 8.101 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.617 5.453 10.110 1.00 0.00 H new ATOM 756 N GLN A 45 -1.304 11.170 4.456 1.00 0.00 N ATOM 757 CA GLN A 45 -1.595 11.697 3.125 1.00 0.00 C ATOM 758 C GLN A 45 -2.303 10.652 2.268 1.00 0.00 C ATOM 759 O GLN A 45 -1.962 10.456 1.101 1.00 0.00 O ATOM 760 CB GLN A 45 -0.306 12.155 2.437 1.00 0.00 C ATOM 761 CG GLN A 45 0.527 13.110 3.276 1.00 0.00 C ATOM 762 CD GLN A 45 0.344 14.558 2.866 1.00 0.00 C ATOM 763 OE1 GLN A 45 -0.006 14.851 1.721 1.00 0.00 O ATOM 764 NE2 GLN A 45 0.578 15.472 3.799 1.00 0.00 N ATOM 0 H GLN A 45 -1.811 11.630 5.212 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.258 12.555 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.296 11.280 2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.560 12.640 1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.256 12.996 4.326 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.580 12.842 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.866 15.184 4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.470 16.463 3.581 1.00 0.00 H new ATOM 773 N ASP A 46 -3.290 9.983 2.854 1.00 0.00 N ATOM 774 CA ASP A 46 -4.047 8.959 2.145 1.00 0.00 C ATOM 775 C ASP A 46 -5.247 9.569 1.427 1.00 0.00 C ATOM 776 O ASP A 46 -6.383 9.454 1.888 1.00 0.00 O ATOM 777 CB ASP A 46 -4.516 7.878 3.121 1.00 0.00 C ATOM 778 CG ASP A 46 -5.386 8.438 4.229 1.00 0.00 C ATOM 779 OD1 ASP A 46 -5.313 9.658 4.483 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.140 7.655 4.845 1.00 0.00 O ATOM 0 H ASP A 46 -3.584 10.132 3.819 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.393 8.507 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.073 7.116 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.647 7.386 3.558 1.00 0.00 H new ATOM 785 N HIS A 47 -4.986 10.219 0.298 1.00 0.00 N ATOM 786 CA HIS A 47 -6.044 10.849 -0.484 1.00 0.00 C ATOM 787 C HIS A 47 -6.111 10.255 -1.888 1.00 0.00 C ATOM 788 O HIS A 47 -5.300 9.405 -2.252 1.00 0.00 O ATOM 789 CB HIS A 47 -5.813 12.359 -0.568 1.00 0.00 C ATOM 790 CG HIS A 47 -5.825 13.042 0.764 1.00 0.00 C ATOM 791 ND1 HIS A 47 -6.987 13.401 1.415 1.00 0.00 N ATOM 792 CD2 HIS A 47 -4.808 13.431 1.570 1.00 0.00 C ATOM 793 CE1 HIS A 47 -6.682 13.983 2.562 1.00 0.00 C ATOM 794 NE2 HIS A 47 -5.369 14.012 2.679 1.00 0.00 N ATOM 0 H HIS A 47 -4.051 10.323 -0.096 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.994 10.660 0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.855 12.545 -1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.583 12.801 -1.201 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.753 13.307 1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -7.389 14.369 3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.853 14.403 3.467 1.00 0.00 H new ATOM 803 N ALA A 48 -7.085 10.709 -2.670 1.00 0.00 N ATOM 804 CA ALA A 48 -7.258 10.223 -4.034 1.00 0.00 C ATOM 805 C ALA A 48 -6.230 10.847 -4.973 1.00 0.00 C ATOM 806 O ALA A 48 -5.970 12.048 -4.913 1.00 0.00 O ATOM 807 CB ALA A 48 -8.668 10.518 -4.522 1.00 0.00 C ATOM 0 H ALA A 48 -7.766 11.412 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.103 9.144 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.785 10.150 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.389 10.022 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.842 11.594 -4.502 1.00 0.00 H new ATOM 813 N LEU A 49 -5.649 10.023 -5.837 1.00 0.00 N ATOM 814 CA LEU A 49 -4.650 10.492 -6.788 1.00 0.00 C ATOM 815 C LEU A 49 -5.310 11.202 -7.965 1.00 0.00 C ATOM 816 O LEU A 49 -6.517 11.441 -7.961 1.00 0.00 O ATOM 817 CB LEU A 49 -3.804 9.320 -7.291 1.00 0.00 C ATOM 818 CG LEU A 49 -3.274 8.388 -6.199 1.00 0.00 C ATOM 819 CD1 LEU A 49 -4.217 7.212 -5.996 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.877 7.899 -6.546 1.00 0.00 C ATOM 0 H LEU A 49 -5.853 9.026 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.003 11.204 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.401 8.734 -7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.957 9.717 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.219 8.949 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.823 6.560 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.199 7.580 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.305 6.651 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.517 7.238 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.906 7.356 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.205 8.752 -6.639 1.00 0.00 H new ATOM 832 N LYS A 50 -4.509 11.541 -8.971 1.00 0.00 N ATOM 833 CA LYS A 50 -5.017 12.225 -10.154 1.00 0.00 C ATOM 834 C LYS A 50 -4.545 11.533 -11.429 1.00 0.00 C ATOM 835 O LYS A 50 -3.707 10.633 -11.384 1.00 0.00 O ATOM 836 CB LYS A 50 -4.563 13.686 -10.156 1.00 0.00 C ATOM 837 CG LYS A 50 -5.191 14.520 -9.051 1.00 0.00 C ATOM 838 CD LYS A 50 -6.344 15.365 -9.570 1.00 0.00 C ATOM 839 CE LYS A 50 -6.127 16.843 -9.287 1.00 0.00 C ATOM 840 NZ LYS A 50 -6.698 17.246 -7.973 1.00 0.00 N ATOM 0 H LYS A 50 -3.507 11.353 -8.990 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.106 12.188 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.478 13.721 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.807 14.132 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.549 13.863 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.434 15.169 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.453 15.212 -10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.274 15.038 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.059 17.063 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.585 17.435 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.529 18.260 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.721 17.060 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.243 16.699 -7.214 1.00 0.00 H new ATOM 854 N GLY A 51 -5.089 11.961 -12.563 1.00 0.00 N ATOM 855 CA GLY A 51 -4.711 11.371 -13.835 1.00 0.00 C ATOM 856 C GLY A 51 -5.285 9.981 -14.023 1.00 0.00 C ATOM 857 O GLY A 51 -6.489 9.772 -13.869 1.00 0.00 O ATOM 0 H GLY A 51 -5.784 12.705 -12.625 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.052 12.014 -14.646 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.624 11.324 -13.901 1.00 0.00 H new ATOM 861 N LYS A 52 -4.423 9.028 -14.358 1.00 0.00 N ATOM 862 CA LYS A 52 -4.848 7.649 -14.572 1.00 0.00 C ATOM 863 C LYS A 52 -5.258 6.993 -13.256 1.00 0.00 C ATOM 864 O LYS A 52 -6.023 6.027 -13.246 1.00 0.00 O ATOM 865 CB LYS A 52 -3.726 6.842 -15.228 1.00 0.00 C ATOM 866 CG LYS A 52 -3.655 7.018 -16.736 1.00 0.00 C ATOM 867 CD LYS A 52 -4.394 5.905 -17.461 1.00 0.00 C ATOM 868 CE LYS A 52 -4.927 6.375 -18.805 1.00 0.00 C ATOM 869 NZ LYS A 52 -3.861 6.997 -19.639 1.00 0.00 N ATOM 0 H LYS A 52 -3.424 9.185 -14.488 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.713 7.663 -15.235 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.773 7.138 -14.790 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.868 5.786 -15.000 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.084 7.981 -17.012 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.612 7.031 -17.053 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.724 5.058 -17.610 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.220 5.553 -16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.359 5.529 -19.340 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.730 7.095 -18.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.202 7.103 -20.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.620 7.932 -19.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.016 6.391 -19.631 1.00 0.00 H new ATOM 883 N TRP A 53 -4.746 7.520 -12.147 1.00 0.00 N ATOM 884 CA TRP A 53 -5.063 6.979 -10.829 1.00 0.00 C ATOM 885 C TRP A 53 -6.191 7.768 -10.171 1.00 0.00 C ATOM 886 O TRP A 53 -6.240 7.900 -8.949 1.00 0.00 O ATOM 887 CB TRP A 53 -3.821 7.000 -9.935 1.00 0.00 C ATOM 888 CG TRP A 53 -2.781 6.003 -10.342 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.774 4.666 -10.067 1.00 0.00 C ATOM 890 CD2 TRP A 53 -1.593 6.265 -11.096 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.653 4.080 -10.605 1.00 0.00 N ATOM 892 CE2 TRP A 53 -0.913 5.042 -11.243 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.038 7.415 -11.663 1.00 0.00 C ATOM 894 CZ2 TRP A 53 0.293 4.938 -11.933 1.00 0.00 C ATOM 895 CZ3 TRP A 53 0.159 7.312 -12.348 1.00 0.00 C ATOM 896 CH2 TRP A 53 0.812 6.079 -12.478 1.00 0.00 C ATOM 0 H TRP A 53 -4.112 8.319 -12.135 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.394 5.948 -10.957 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.384 7.999 -9.955 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.120 6.803 -8.905 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.537 4.145 -9.508 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.411 3.091 -10.540 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.536 8.369 -11.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.800 3.990 -12.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.597 8.195 -12.789 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.745 6.029 -13.020 1.00 0.00 H new ATOM 907 N LYS A 54 -7.100 8.289 -10.991 1.00 0.00 N ATOM 908 CA LYS A 54 -8.229 9.063 -10.488 1.00 0.00 C ATOM 909 C LYS A 54 -9.173 8.187 -9.668 1.00 0.00 C ATOM 910 O LYS A 54 -9.520 8.529 -8.538 1.00 0.00 O ATOM 911 CB LYS A 54 -8.988 9.714 -11.646 1.00 0.00 C ATOM 912 CG LYS A 54 -9.398 11.152 -11.371 1.00 0.00 C ATOM 913 CD LYS A 54 -8.904 12.095 -12.458 1.00 0.00 C ATOM 914 CE LYS A 54 -8.750 13.514 -11.937 1.00 0.00 C ATOM 915 NZ LYS A 54 -8.120 14.411 -12.945 1.00 0.00 N ATOM 0 H LYS A 54 -7.076 8.189 -12.006 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.837 9.845 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.364 9.687 -12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.880 9.125 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.484 11.214 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.998 11.467 -10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.947 11.741 -12.841 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.604 12.087 -13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.728 13.908 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.144 13.504 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.033 15.369 -12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.176 14.050 -13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.711 14.441 -13.800 1.00 0.00 H new ATOM 929 N PRO A 55 -9.603 7.041 -10.222 1.00 0.00 N ATOM 930 CA PRO A 55 -10.509 6.126 -9.528 1.00 0.00 C ATOM 931 C PRO A 55 -9.784 5.240 -8.520 1.00 0.00 C ATOM 932 O PRO A 55 -10.002 4.029 -8.475 1.00 0.00 O ATOM 933 CB PRO A 55 -11.081 5.285 -10.667 1.00 0.00 C ATOM 934 CG PRO A 55 -9.992 5.239 -11.682 1.00 0.00 C ATOM 935 CD PRO A 55 -9.246 6.546 -11.568 1.00 0.00 C ATOM 0 HA PRO A 55 -11.262 6.655 -8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.348 4.285 -10.326 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.986 5.734 -11.076 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.327 4.395 -11.499 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.401 5.112 -12.684 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.170 6.402 -11.669 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.548 7.248 -12.345 1.00 0.00 H new ATOM 943 N PHE A 56 -8.921 5.849 -7.710 1.00 0.00 N ATOM 944 CA PHE A 56 -8.168 5.111 -6.703 1.00 0.00 C ATOM 945 C PHE A 56 -7.756 6.024 -5.554 1.00 0.00 C ATOM 946 O PHE A 56 -8.046 7.222 -5.564 1.00 0.00 O ATOM 947 CB PHE A 56 -6.928 4.470 -7.329 1.00 0.00 C ATOM 948 CG PHE A 56 -7.247 3.457 -8.390 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.784 2.225 -8.050 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.011 3.735 -9.727 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.079 1.289 -9.024 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.305 2.805 -10.705 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.839 1.580 -10.353 1.00 0.00 C ATOM 0 H PHE A 56 -8.727 6.850 -7.732 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.813 4.327 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.304 5.252 -7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.342 3.991 -6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.974 1.994 -7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.592 4.690 -10.008 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.496 0.332 -8.746 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.118 3.035 -11.744 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.068 0.851 -11.116 1.00 0.00 H new ATOM 963 N ARG A 57 -7.077 5.454 -4.564 1.00 0.00 N ATOM 964 CA ARG A 57 -6.625 6.218 -3.407 1.00 0.00 C ATOM 965 C ARG A 57 -5.220 5.793 -2.990 1.00 0.00 C ATOM 966 O ARG A 57 -4.894 4.605 -2.990 1.00 0.00 O ATOM 967 CB ARG A 57 -7.593 6.034 -2.238 1.00 0.00 C ATOM 968 CG ARG A 57 -7.281 6.922 -1.045 1.00 0.00 C ATOM 969 CD ARG A 57 -8.400 6.887 -0.015 1.00 0.00 C ATOM 970 NE ARG A 57 -9.531 7.726 -0.408 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.531 8.050 0.409 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.544 7.610 1.661 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.520 8.817 -0.027 1.00 0.00 N ATOM 0 H ARG A 57 -6.828 4.465 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.599 7.271 -3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.607 6.242 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.572 4.992 -1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.349 6.597 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.129 7.947 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.739 5.860 0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.017 7.223 0.949 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.555 8.084 -1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.785 7.020 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.313 7.862 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.515 9.159 -0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.286 9.066 0.598 1.00 0.00 H new ATOM 987 N GLU A 58 -4.393 6.771 -2.636 1.00 0.00 N ATOM 988 CA GLU A 58 -3.023 6.499 -2.217 1.00 0.00 C ATOM 989 C GLU A 58 -2.912 6.484 -0.695 1.00 0.00 C ATOM 990 O GLU A 58 -3.885 6.743 0.011 1.00 0.00 O ATOM 991 CB GLU A 58 -2.070 7.545 -2.799 1.00 0.00 C ATOM 992 CG GLU A 58 -0.783 6.956 -3.352 1.00 0.00 C ATOM 993 CD GLU A 58 0.029 7.966 -4.138 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.180 9.180 -3.939 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.875 7.542 -4.953 1.00 0.00 O ATOM 0 H GLU A 58 -4.647 7.759 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.744 5.515 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.582 8.088 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.824 8.271 -2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.180 6.572 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.022 6.108 -3.994 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.718 6.179 -0.197 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.478 6.131 1.241 1.00 0.00 C ATOM 1004 C CYS A 59 0.010 5.985 1.539 1.00 0.00 C ATOM 1005 O CYS A 59 0.575 4.898 1.415 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.252 4.970 1.868 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.376 5.054 3.669 1.00 0.00 S ATOM 0 H CYS A 59 -0.901 5.961 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.826 7.068 1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.257 4.947 1.446 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.768 4.033 1.591 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.184 5.040 4.187 1.00 0.00 H new ATOM 1013 N HIS A 60 0.641 7.088 1.930 1.00 0.00 N ATOM 1014 CA HIS A 60 2.063 7.082 2.245 1.00 0.00 C ATOM 1015 C HIS A 60 2.305 6.609 3.675 1.00 0.00 C ATOM 1016 O HIS A 60 2.461 7.419 4.589 1.00 0.00 O ATOM 1017 CB HIS A 60 2.655 8.480 2.053 1.00 0.00 C ATOM 1018 CG HIS A 60 2.464 9.030 0.674 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.231 10.057 0.161 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.590 8.692 -0.303 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.833 10.327 -1.070 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.840 9.513 -1.375 1.00 0.00 N ATOM 0 H HIS A 60 0.189 7.996 2.036 1.00 0.00 H new ATOM 0 HA HIS A 60 2.555 6.388 1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.199 9.160 2.772 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.721 8.447 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.836 7.920 -0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.250 11.085 -1.717 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.339 9.496 -2.263 1.00 0.00 H new ATOM 1031 N ILE A 61 2.335 5.293 3.863 1.00 0.00 N ATOM 1032 CA ILE A 61 2.559 4.716 5.184 1.00 0.00 C ATOM 1033 C ILE A 61 3.924 5.118 5.734 1.00 0.00 C ATOM 1034 O ILE A 61 4.085 5.322 6.937 1.00 0.00 O ATOM 1035 CB ILE A 61 2.456 3.177 5.152 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.089 2.747 4.608 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.687 2.595 6.540 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.161 2.056 3.265 1.00 0.00 C ATOM 0 H ILE A 61 2.207 4.607 3.119 1.00 0.00 H new ATOM 0 HA ILE A 61 1.780 5.107 5.838 1.00 0.00 H new ATOM 0 HB ILE A 61 3.230 2.792 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.616 2.078 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.449 3.625 4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.610 1.509 6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.680 2.875 6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.936 2.984 7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.157 1.781 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.605 2.730 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.774 1.158 3.350 1.00 0.00 H new ATOM 1050 N LYS A 62 4.905 5.230 4.844 1.00 0.00 N ATOM 1051 CA LYS A 62 6.257 5.608 5.240 1.00 0.00 C ATOM 1052 C LYS A 62 6.786 6.730 4.349 1.00 0.00 C ATOM 1053 O LYS A 62 6.182 7.059 3.329 1.00 0.00 O ATOM 1054 CB LYS A 62 7.189 4.397 5.165 1.00 0.00 C ATOM 1055 CG LYS A 62 6.625 3.151 5.833 1.00 0.00 C ATOM 1056 CD LYS A 62 7.163 2.984 7.244 1.00 0.00 C ATOM 1057 CE LYS A 62 8.585 2.444 7.237 1.00 0.00 C ATOM 1058 NZ LYS A 62 9.319 2.795 8.485 1.00 0.00 N ATOM 0 H LYS A 62 4.789 5.064 3.844 1.00 0.00 H new ATOM 0 HA LYS A 62 6.224 5.968 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.399 4.175 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.140 4.651 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.537 3.213 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.878 2.272 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.140 3.944 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.518 2.306 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.561 1.360 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.121 2.844 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.284 2.409 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.364 3.829 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.822 2.392 9.305 1.00 0.00 H new ATOM 1072 N PRO A 63 7.927 7.336 4.725 1.00 0.00 N ATOM 1073 CA PRO A 63 8.535 8.428 3.954 1.00 0.00 C ATOM 1074 C PRO A 63 9.051 7.974 2.593 1.00 0.00 C ATOM 1075 O PRO A 63 9.497 8.788 1.783 1.00 0.00 O ATOM 1076 CB PRO A 63 9.699 8.904 4.838 1.00 0.00 C ATOM 1077 CG PRO A 63 9.458 8.293 6.179 1.00 0.00 C ATOM 1078 CD PRO A 63 8.712 7.016 5.924 1.00 0.00 C ATOM 0 HA PRO A 63 7.808 9.209 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.658 8.586 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.724 9.992 4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.399 8.099 6.694 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.879 8.963 6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.389 6.179 5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.074 6.744 6.765 1.00 0.00 H new ATOM 1086 N ASP A 64 8.984 6.675 2.344 1.00 0.00 N ATOM 1087 CA ASP A 64 9.439 6.109 1.080 1.00 0.00 C ATOM 1088 C ASP A 64 8.532 4.962 0.641 1.00 0.00 C ATOM 1089 O ASP A 64 8.965 4.050 -0.062 1.00 0.00 O ATOM 1090 CB ASP A 64 10.881 5.615 1.208 1.00 0.00 C ATOM 1091 CG ASP A 64 11.814 6.686 1.737 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.164 7.604 0.965 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.197 6.608 2.923 1.00 0.00 O ATOM 0 H ASP A 64 8.617 5.989 3.003 1.00 0.00 H new ATOM 0 HA ASP A 64 9.397 6.892 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.909 4.752 1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.235 5.278 0.234 1.00 0.00 H new ATOM 1098 N VAL A 65 7.271 5.013 1.064 1.00 0.00 N ATOM 1099 CA VAL A 65 6.305 3.980 0.714 1.00 0.00 C ATOM 1100 C VAL A 65 4.973 4.591 0.295 1.00 0.00 C ATOM 1101 O VAL A 65 4.488 5.536 0.914 1.00 0.00 O ATOM 1102 CB VAL A 65 6.064 3.012 1.890 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.023 1.961 1.525 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.367 2.351 2.307 1.00 0.00 C ATOM 0 H VAL A 65 6.896 5.759 1.649 1.00 0.00 H new ATOM 0 HA VAL A 65 6.728 3.425 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 65 5.681 3.588 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.871 1.290 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.082 2.452 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.371 1.388 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.180 1.671 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.777 1.792 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.080 3.115 2.617 1.00 0.00 H new ATOM 1114 N LEU A 66 4.386 4.034 -0.758 1.00 0.00 N ATOM 1115 CA LEU A 66 3.103 4.511 -1.263 1.00 0.00 C ATOM 1116 C LEU A 66 2.217 3.343 -1.678 1.00 0.00 C ATOM 1117 O LEU A 66 2.302 2.856 -2.805 1.00 0.00 O ATOM 1118 CB LEU A 66 3.309 5.455 -2.450 1.00 0.00 C ATOM 1119 CG LEU A 66 4.507 6.400 -2.334 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.662 7.217 -3.608 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.354 7.313 -1.125 1.00 0.00 C ATOM 0 H LEU A 66 4.778 3.250 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 66 2.608 5.057 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.426 4.856 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.407 6.053 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 66 5.408 5.802 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.518 7.884 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.819 6.547 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.760 7.806 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.216 7.977 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.445 7.906 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.291 6.710 -0.219 1.00 0.00 H new ATOM 1133 N LEU A 67 1.369 2.896 -0.759 1.00 0.00 N ATOM 1134 CA LEU A 67 0.468 1.783 -1.027 1.00 0.00 C ATOM 1135 C LEU A 67 -0.879 2.286 -1.541 1.00 0.00 C ATOM 1136 O LEU A 67 -1.581 3.025 -0.851 1.00 0.00 O ATOM 1137 CB LEU A 67 0.278 0.946 0.244 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.936 0.012 0.253 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.066 -0.721 -1.075 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.835 -0.980 1.402 1.00 0.00 C ATOM 0 H LEU A 67 1.287 3.288 0.179 1.00 0.00 H new ATOM 0 HA LEU A 67 0.912 1.156 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.175 0.346 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.197 1.624 1.094 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.831 0.618 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.935 -1.378 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.187 0.004 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.169 -1.314 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.705 -1.636 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.070 -1.577 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.797 -0.439 2.348 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.231 1.878 -2.756 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.492 2.285 -3.363 1.00 0.00 C ATOM 1154 C VAL A 68 -3.585 1.252 -3.100 1.00 0.00 C ATOM 1155 O VAL A 68 -3.358 0.049 -3.221 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.343 2.485 -4.885 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.650 2.967 -5.500 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.215 3.460 -5.183 1.00 0.00 C ATOM 0 H VAL A 68 -0.660 1.266 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.774 3.233 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.096 1.523 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.519 3.101 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.431 2.229 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.936 3.917 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.122 3.591 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.433 4.422 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.280 3.068 -4.783 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.770 1.733 -2.743 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.900 0.855 -2.465 1.00 0.00 C ATOM 1170 C TYR A 69 -7.213 1.525 -2.853 1.00 0.00 C ATOM 1171 O TYR A 69 -7.291 2.749 -2.954 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.924 0.472 -0.984 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.760 1.648 -0.049 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -6.701 2.670 -0.012 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.662 1.736 0.800 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -6.553 3.746 0.842 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.508 2.808 1.658 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.456 3.810 1.675 1.00 0.00 C ATOM 1179 OH TYR A 69 -5.305 4.880 2.528 1.00 0.00 O ATOM 0 H TYR A 69 -4.973 2.727 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.784 -0.049 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.867 -0.028 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.128 -0.248 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.562 2.622 -0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.918 0.954 0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.293 4.533 0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.650 2.861 2.312 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.436 4.821 2.976 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.245 0.716 -3.069 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.556 1.233 -3.447 1.00 0.00 C ATOM 1191 C LEU A 70 -10.519 1.187 -2.266 1.00 0.00 C ATOM 1192 O LEU A 70 -10.477 0.265 -1.451 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.126 0.432 -4.620 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.595 1.271 -5.810 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.979 0.375 -6.978 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.765 2.156 -5.408 1.00 0.00 C ATOM 0 H LEU A 70 -8.199 -0.300 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.435 2.272 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.365 -0.268 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.966 -0.162 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.771 1.911 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.310 0.990 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.116 -0.217 -7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.787 -0.291 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.086 2.746 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.592 1.533 -5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.457 2.824 -4.603 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.390 2.189 -2.181 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.367 2.264 -1.103 1.00 0.00 C ATOM 1210 C VAL A 71 -13.587 1.410 -1.412 1.00 0.00 C ATOM 1211 O VAL A 71 -13.859 1.092 -2.571 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.823 3.713 -0.855 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.465 4.297 -2.105 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -13.778 3.785 0.327 1.00 0.00 C ATOM 0 H VAL A 71 -11.438 2.960 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.876 1.887 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.943 4.309 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.780 5.322 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.743 4.290 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.332 3.698 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.087 4.819 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.655 3.171 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.277 3.417 1.222 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.327 1.048 -0.373 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.522 0.239 -0.542 1.00 0.00 C ATOM 1226 C LYS A 72 -16.471 0.415 0.640 1.00 0.00 C ATOM 1227 O LYS A 72 -16.051 0.777 1.739 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.150 -1.237 -0.705 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.840 -1.914 -1.877 1.00 0.00 C ATOM 1230 CD LYS A 72 -14.976 -1.881 -3.128 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.818 -1.736 -4.385 1.00 0.00 C ATOM 1232 NZ LYS A 72 -15.317 -2.594 -5.493 1.00 0.00 N ATOM 0 H LYS A 72 -14.120 1.302 0.593 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.032 0.575 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.071 -1.319 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.403 -1.770 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.068 -2.948 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.790 -1.419 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.272 -1.051 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.386 -2.796 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.852 -1.999 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.817 -0.694 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.919 -2.465 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.339 -2.326 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.342 -3.591 -5.199 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.754 0.156 0.404 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.764 0.286 1.450 1.00 0.00 C ATOM 1248 C ASP A 73 -18.442 -0.617 2.636 1.00 0.00 C ATOM 1249 O ASP A 73 -18.586 -1.838 2.557 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.148 -0.055 0.895 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.650 0.986 -0.086 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -19.875 1.381 -0.982 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.819 1.408 0.043 1.00 0.00 O ATOM 0 H ASP A 73 -18.118 -0.144 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.762 1.320 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.109 -1.026 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.855 -0.144 1.720 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.008 -0.010 3.734 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.666 -0.757 4.938 1.00 0.00 C ATOM 1260 C ASP A 74 -16.574 -1.787 4.655 1.00 0.00 C ATOM 1261 O ASP A 74 -16.442 -2.778 5.375 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.906 -1.456 5.501 1.00 0.00 C ATOM 1263 CG ASP A 74 -20.069 -0.502 5.694 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -19.867 0.560 6.321 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -21.179 -0.817 5.219 1.00 0.00 O ATOM 0 H ASP A 74 -17.884 0.999 3.815 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.288 -0.049 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.205 -2.258 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.657 -1.919 6.456 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.794 -1.548 3.605 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.716 -2.456 3.231 1.00 0.00 C ATOM 1272 C GLU A 75 -13.669 -1.738 2.385 1.00 0.00 C ATOM 1273 O GLU A 75 -13.968 -0.749 1.717 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.275 -3.655 2.461 1.00 0.00 C ATOM 1275 CG GLU A 75 -16.218 -4.520 3.281 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.632 -5.782 2.552 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.143 -5.672 1.418 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.445 -6.882 3.116 1.00 0.00 O ATOM 0 H GLU A 75 -15.889 -0.733 2.999 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.239 -2.810 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.802 -3.295 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.446 -4.269 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.734 -4.789 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.107 -3.943 3.534 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.441 -2.247 2.416 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.350 -1.655 1.651 1.00 0.00 C ATOM 1287 C LEU A 76 -10.560 -2.732 0.916 1.00 0.00 C ATOM 1288 O LEU A 76 -10.316 -3.813 1.453 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.421 -0.864 2.574 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.293 -0.111 1.867 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.710 1.319 1.568 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -8.026 -0.134 2.710 1.00 0.00 C ATOM 0 H LEU A 76 -12.177 -3.067 2.962 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.780 -0.976 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.018 -0.147 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.981 -1.551 3.297 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.086 -0.612 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.894 1.838 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.589 1.314 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.946 1.832 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.234 0.406 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.220 0.341 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.715 -1.166 2.872 1.00 0.00 H new ATOM 1304 N ILE A 77 -10.163 -2.433 -0.317 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.401 -3.377 -1.124 1.00 0.00 C ATOM 1306 C ILE A 77 -8.070 -2.776 -1.566 1.00 0.00 C ATOM 1307 O ILE A 77 -8.014 -1.631 -2.014 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.197 -3.824 -2.368 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.378 -2.655 -3.341 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.548 -4.390 -1.957 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.409 -2.683 -4.502 1.00 0.00 C ATOM 0 H ILE A 77 -10.357 -1.544 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.208 -4.247 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.633 -4.607 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.397 -2.669 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.256 -1.718 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -12.098 -4.701 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.399 -5.249 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.117 -3.626 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.594 -1.827 -5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.387 -2.639 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.547 -3.604 -5.069 1.00 0.00 H new ATOM 1323 N LEU A 78 -7.002 -3.555 -1.438 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.671 -3.098 -1.825 1.00 0.00 C ATOM 1325 C LEU A 78 -5.525 -3.070 -3.343 1.00 0.00 C ATOM 1326 O LEU A 78 -6.177 -3.837 -4.053 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.601 -4.003 -1.213 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.519 -3.970 0.313 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.381 -4.851 0.805 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.344 -2.542 0.806 1.00 0.00 C ATOM 0 H LEU A 78 -7.031 -4.506 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.538 -2.084 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.791 -5.029 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.631 -3.718 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.453 -4.360 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.338 -4.815 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.550 -5.878 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.438 -4.492 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.288 -2.537 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.426 -2.125 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.193 -1.939 0.484 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.665 -2.185 -3.834 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.434 -2.059 -5.268 1.00 0.00 C ATOM 1344 C LEU A 79 -3.020 -2.506 -5.633 1.00 0.00 C ATOM 1345 O LEU A 79 -2.832 -3.530 -6.289 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.662 -0.613 -5.720 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.800 -0.419 -6.725 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.653 -1.382 -7.895 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.147 -0.607 -6.042 1.00 0.00 C ATOM 0 H LEU A 79 -4.116 -1.544 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.143 -2.707 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.866 -0.002 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.739 -0.237 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.748 0.598 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.472 -1.228 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.703 -1.201 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.679 -2.408 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.947 -0.466 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.207 -1.613 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.253 0.123 -5.240 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.030 -1.729 -5.205 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.634 -2.047 -5.488 1.00 0.00 C ATOM 1363 C ARG A 80 0.298 -1.356 -4.497 1.00 0.00 C ATOM 1364 O ARG A 80 -0.122 -0.482 -3.739 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.276 -1.630 -6.915 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.597 -0.178 -7.223 1.00 0.00 C ATOM 1367 CD ARG A 80 -1.865 -0.047 -8.052 1.00 0.00 C ATOM 1368 NE ARG A 80 -1.596 0.501 -9.379 1.00 0.00 N ATOM 1369 CZ ARG A 80 -2.411 0.356 -10.422 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -3.549 -0.313 -10.296 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -2.086 0.886 -11.594 1.00 0.00 N ATOM 0 H ARG A 80 -2.168 -0.876 -4.662 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.507 -3.125 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.788 -1.801 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.813 -2.269 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.713 0.375 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.237 0.273 -7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.336 -1.025 -8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.574 0.596 -7.531 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.732 1.026 -9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.804 -0.720 -9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.169 -0.421 -11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.213 1.404 -11.695 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.709 0.776 -12.394 1.00 0.00 H new ATOM 1385 N LEU A 81 1.565 -1.753 -4.514 1.00 0.00 N ATOM 1386 CA LEU A 81 2.563 -1.177 -3.621 1.00 0.00 C ATOM 1387 C LEU A 81 3.673 -0.497 -4.418 1.00 0.00 C ATOM 1388 O LEU A 81 4.186 -1.056 -5.387 1.00 0.00 O ATOM 1389 CB LEU A 81 3.156 -2.262 -2.718 1.00 0.00 C ATOM 1390 CG LEU A 81 4.045 -1.751 -1.579 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.389 -1.283 -2.115 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.351 -0.629 -0.820 1.00 0.00 C ATOM 0 H LEU A 81 1.926 -2.474 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 81 2.073 -0.427 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.338 -2.840 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.740 -2.946 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 81 4.221 -2.575 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.005 -0.924 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.893 -2.114 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.234 -0.475 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.998 -0.280 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.141 0.196 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.416 -0.999 -0.399 1.00 0.00 H new ATOM 1404 N GLY A 82 4.038 0.711 -4.003 1.00 0.00 N ATOM 1405 CA GLY A 82 5.084 1.446 -4.690 1.00 0.00 C ATOM 1406 C GLY A 82 5.846 2.374 -3.766 1.00 0.00 C ATOM 1407 O GLY A 82 5.762 2.252 -2.543 1.00 0.00 O ATOM 0 H GLY A 82 3.629 1.194 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.779 0.741 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.643 2.027 -5.500 1.00 0.00 H new ATOM 1411 N SER A 83 6.593 3.305 -4.352 1.00 0.00 N ATOM 1412 CA SER A 83 7.375 4.258 -3.574 1.00 0.00 C ATOM 1413 C SER A 83 7.405 5.622 -4.258 1.00 0.00 C ATOM 1414 O SER A 83 6.949 5.767 -5.393 1.00 0.00 O ATOM 1415 CB SER A 83 8.802 3.742 -3.378 1.00 0.00 C ATOM 1416 OG SER A 83 9.556 3.861 -4.572 1.00 0.00 O ATOM 0 H SER A 83 6.673 3.419 -5.362 1.00 0.00 H new ATOM 0 HA SER A 83 6.900 4.369 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.288 4.303 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.775 2.699 -3.064 1.00 0.00 H new ATOM 0 HG SER A 83 10.464 3.526 -4.420 1.00 0.00 H new ATOM 1422 N HIS A 84 7.944 6.616 -3.562 1.00 0.00 N ATOM 1423 CA HIS A 84 8.033 7.969 -4.103 1.00 0.00 C ATOM 1424 C HIS A 84 8.831 7.987 -5.403 1.00 0.00 C ATOM 1425 O HIS A 84 8.610 8.836 -6.266 1.00 0.00 O ATOM 1426 CB HIS A 84 8.680 8.907 -3.082 1.00 0.00 C ATOM 1427 CG HIS A 84 8.102 10.289 -3.091 1.00 0.00 C ATOM 1428 ND1 HIS A 84 8.689 11.346 -3.756 1.00 0.00 N ATOM 1429 CD2 HIS A 84 6.984 10.786 -2.513 1.00 0.00 C ATOM 1430 CE1 HIS A 84 7.956 12.433 -3.585 1.00 0.00 C ATOM 1431 NE2 HIS A 84 6.915 12.119 -2.834 1.00 0.00 N ATOM 0 H HIS A 84 8.326 6.512 -2.622 1.00 0.00 H new ATOM 0 HA HIS A 84 7.021 8.314 -4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.566 8.481 -2.085 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.750 8.968 -3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.277 10.236 -1.910 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.171 13.411 -3.990 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.180 12.762 -2.541 1.00 0.00 H new ATOM 1440 N SER A 85 9.757 7.043 -5.538 1.00 0.00 N ATOM 1441 CA SER A 85 10.587 6.954 -6.735 1.00 0.00 C ATOM 1442 C SER A 85 9.894 6.136 -7.819 1.00 0.00 C ATOM 1443 O SER A 85 10.100 6.369 -9.010 1.00 0.00 O ATOM 1444 CB SER A 85 11.941 6.327 -6.395 1.00 0.00 C ATOM 1445 OG SER A 85 12.956 6.805 -7.260 1.00 0.00 O ATOM 0 H SER A 85 9.952 6.330 -4.835 1.00 0.00 H new ATOM 0 HA SER A 85 10.745 7.964 -7.113 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.202 6.556 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.873 5.242 -6.474 1.00 0.00 H new ATOM 0 HG SER A 85 13.811 6.391 -7.021 1.00 0.00 H new ATOM 1451 N GLU A 86 9.073 5.180 -7.400 1.00 0.00 N ATOM 1452 CA GLU A 86 8.352 4.327 -8.339 1.00 0.00 C ATOM 1453 C GLU A 86 7.101 5.029 -8.863 1.00 0.00 C ATOM 1454 O GLU A 86 7.068 5.491 -10.004 1.00 0.00 O ATOM 1455 CB GLU A 86 7.968 3.005 -7.667 1.00 0.00 C ATOM 1456 CG GLU A 86 8.760 1.814 -8.177 1.00 0.00 C ATOM 1457 CD GLU A 86 8.145 1.189 -9.414 1.00 0.00 C ATOM 1458 OE1 GLU A 86 7.459 1.914 -10.165 1.00 0.00 O ATOM 1459 OE2 GLU A 86 8.349 -0.023 -9.632 1.00 0.00 O ATOM 0 H GLU A 86 8.890 4.976 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 86 9.010 4.120 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.117 3.097 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.906 2.820 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.779 2.130 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.826 1.063 -7.390 1.00 0.00 H new ATOM 1466 N LEU A 87 6.075 5.107 -8.022 1.00 0.00 N ATOM 1467 CA LEU A 87 4.822 5.751 -8.401 1.00 0.00 C ATOM 1468 C LEU A 87 5.051 7.216 -8.759 1.00 0.00 C ATOM 1469 O LEU A 87 4.388 7.759 -9.645 1.00 0.00 O ATOM 1470 CB LEU A 87 3.805 5.646 -7.262 1.00 0.00 C ATOM 1471 CG LEU A 87 3.624 4.241 -6.686 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.535 4.237 -5.623 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.292 3.249 -7.792 1.00 0.00 C ATOM 0 H LEU A 87 6.086 4.732 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 87 4.429 5.237 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.112 6.315 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.840 6.002 -7.623 1.00 0.00 H new ATOM 0 HG LEU A 87 4.562 3.937 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.420 3.229 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.811 4.917 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.593 4.562 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.167 2.255 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.368 3.550 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.103 3.231 -8.520 1.00 0.00 H new ATOM 1485 N PHE A 88 5.991 7.851 -8.067 1.00 0.00 N ATOM 1486 CA PHE A 88 6.306 9.254 -8.314 1.00 0.00 C ATOM 1487 C PHE A 88 7.742 9.410 -8.802 1.00 0.00 C ATOM 1488 O PHE A 88 8.207 10.565 -8.911 1.00 0.00 O ATOM 1489 CB PHE A 88 6.095 10.075 -7.041 1.00 0.00 C ATOM 1490 CG PHE A 88 4.679 10.538 -6.854 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.105 11.432 -7.745 1.00 0.00 C ATOM 1492 CD2 PHE A 88 3.920 10.080 -5.789 1.00 0.00 C ATOM 1493 CE1 PHE A 88 2.802 11.860 -7.574 1.00 0.00 C ATOM 1494 CE2 PHE A 88 2.617 10.504 -5.614 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.056 11.396 -6.509 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.392 8.378 -9.072 1.00 0.00 O ATOM 0 H PHE A 88 6.548 7.417 -7.331 1.00 0.00 H new ATOM 0 HA PHE A 88 5.636 9.622 -9.091 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.390 9.476 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.753 10.944 -7.065 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.682 11.798 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.353 9.383 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.367 12.558 -8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.037 10.139 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.037 11.729 -6.375 1.00 0.00 H new TER 1506 PHE A 88