USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 747 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 72 ASN : amide:sc= -1.18! C(o=-1.3!,f=-3.7!) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.0994 K(o=-1.3,f=-2.7!) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 ASN : amide:sc= 0.0188 K(o=0.019,f=-1.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.675 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.218 (180deg=-0.218) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.483 USER MOD Single : A 11 THR OG1 : rot -160:sc=-0.00539 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.73) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 139:sc= 0.754 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -50:sc= -1.26 USER MOD Single : A 42 MET CE :methyl -140:sc= -2.5 (180deg=-6.48!) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.0805 (180deg=-0.419) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.084 USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.039) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.2) USER MOD Single : A 66 ASN : amide:sc= -0.0797 X(o=-0.08,f=-0.083) USER MOD Single : A 67 CYS SG : rot 87:sc= -1.23! USER MOD Single : A 68 THR OG1 : rot 79:sc= 0.821 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= -0.173 (180deg=-0.686) USER MOD Single : A 84 SER OG : rot -14:sc= 0.889 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 1.228 12.971 17.716 1.00 0.00 N ATOM 2 CA GLY A -6 2.566 13.262 18.195 1.00 0.00 C ATOM 3 C GLY A -6 3.438 12.024 18.267 1.00 0.00 C ATOM 4 O GLY A -6 3.386 11.276 19.244 1.00 0.00 O ATOM 0 H1 GLY A -6 0.672 13.849 17.685 1.00 0.00 H new ATOM 0 H2 GLY A -6 1.282 12.562 16.761 1.00 0.00 H new ATOM 0 H3 GLY A -6 0.769 12.293 18.358 1.00 0.00 H new ATOM 0 HA2 GLY A -6 3.033 13.994 17.536 1.00 0.00 H new ATOM 0 HA3 GLY A -6 2.504 13.717 19.184 1.00 0.00 H new ATOM 8 N SER A -5 4.241 11.806 17.231 1.00 0.00 N ATOM 9 CA SER A -5 5.124 10.646 17.178 1.00 0.00 C ATOM 10 C SER A -5 6.561 11.071 16.890 1.00 0.00 C ATOM 11 O SER A -5 6.803 12.132 16.316 1.00 0.00 O ATOM 12 CB SER A -5 4.646 9.663 16.108 1.00 0.00 C ATOM 13 OG SER A -5 4.495 10.307 14.855 1.00 0.00 O ATOM 0 H SER A -5 4.299 12.417 16.417 1.00 0.00 H new ATOM 0 HA SER A -5 5.097 10.154 18.150 1.00 0.00 H new ATOM 0 HB2 SER A -5 5.360 8.845 16.016 1.00 0.00 H new ATOM 0 HB3 SER A -5 3.696 9.224 16.412 1.00 0.00 H new ATOM 0 HG SER A -5 4.190 9.657 14.188 1.00 0.00 H new ATOM 19 N SER A -4 7.510 10.232 17.293 1.00 0.00 N ATOM 20 CA SER A -4 8.924 10.521 17.082 1.00 0.00 C ATOM 21 C SER A -4 9.525 9.570 16.051 1.00 0.00 C ATOM 22 O SER A -4 10.638 9.074 16.221 1.00 0.00 O ATOM 23 CB SER A -4 9.691 10.411 18.401 1.00 0.00 C ATOM 24 OG SER A -4 9.657 11.635 19.114 1.00 0.00 O ATOM 0 H SER A -4 7.326 9.348 17.767 1.00 0.00 H new ATOM 0 HA SER A -4 9.009 11.540 16.704 1.00 0.00 H new ATOM 0 HB2 SER A -4 9.259 9.619 19.012 1.00 0.00 H new ATOM 0 HB3 SER A -4 10.725 10.131 18.202 1.00 0.00 H new ATOM 0 HG SER A -4 10.153 11.538 19.954 1.00 0.00 H new ATOM 30 N GLY A -3 8.778 9.320 14.979 1.00 0.00 N ATOM 31 CA GLY A -3 9.252 8.430 13.936 1.00 0.00 C ATOM 32 C GLY A -3 9.360 6.993 14.405 1.00 0.00 C ATOM 33 O GLY A -3 10.278 6.642 15.147 1.00 0.00 O ATOM 0 H GLY A -3 7.853 9.718 14.815 1.00 0.00 H new ATOM 0 HA2 GLY A -3 8.574 8.481 13.084 1.00 0.00 H new ATOM 0 HA3 GLY A -3 10.228 8.770 13.588 1.00 0.00 H new ATOM 37 N SER A -2 8.420 6.158 13.973 1.00 0.00 N ATOM 38 CA SER A -2 8.411 4.752 14.359 1.00 0.00 C ATOM 39 C SER A -2 9.593 4.011 13.740 1.00 0.00 C ATOM 40 O SER A -2 10.077 4.377 12.669 1.00 0.00 O ATOM 41 CB SER A -2 7.100 4.092 13.928 1.00 0.00 C ATOM 42 OG SER A -2 6.096 4.262 14.914 1.00 0.00 O ATOM 0 H SER A -2 7.655 6.431 13.356 1.00 0.00 H new ATOM 0 HA SER A -2 8.498 4.698 15.444 1.00 0.00 H new ATOM 0 HB2 SER A -2 6.765 4.523 12.985 1.00 0.00 H new ATOM 0 HB3 SER A -2 7.265 3.029 13.752 1.00 0.00 H new ATOM 0 HG SER A -2 5.267 3.833 14.614 1.00 0.00 H new ATOM 48 N SER A -1 10.053 2.968 14.423 1.00 0.00 N ATOM 49 CA SER A -1 11.180 2.177 13.944 1.00 0.00 C ATOM 50 C SER A -1 10.792 1.368 12.710 1.00 0.00 C ATOM 51 O SER A -1 9.613 1.253 12.376 1.00 0.00 O ATOM 52 CB SER A -1 11.678 1.240 15.046 1.00 0.00 C ATOM 53 OG SER A -1 10.645 0.373 15.483 1.00 0.00 O ATOM 0 H SER A -1 9.662 2.651 15.310 1.00 0.00 H new ATOM 0 HA SER A -1 11.982 2.863 13.670 1.00 0.00 H new ATOM 0 HB2 SER A -1 12.518 0.652 14.676 1.00 0.00 H new ATOM 0 HB3 SER A -1 12.045 1.827 15.888 1.00 0.00 H new ATOM 0 HG SER A -1 10.989 -0.217 16.186 1.00 0.00 H new ATOM 59 N GLY A 0 11.793 0.810 12.036 1.00 0.00 N ATOM 60 CA GLY A 0 11.537 0.020 10.847 1.00 0.00 C ATOM 61 C GLY A 0 12.649 0.134 9.824 1.00 0.00 C ATOM 62 O GLY A 0 13.826 0.182 10.180 1.00 0.00 O ATOM 0 H GLY A 0 12.777 0.891 12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 0 11.413 -1.026 11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 0 10.598 0.342 10.396 1.00 0.00 H new ATOM 66 N MET A 1 12.277 0.177 8.549 1.00 0.00 N ATOM 67 CA MET A 1 13.253 0.286 7.471 1.00 0.00 C ATOM 68 C MET A 1 12.882 1.414 6.513 1.00 0.00 C ATOM 69 O MET A 1 12.212 1.189 5.505 1.00 0.00 O ATOM 70 CB MET A 1 13.351 -1.036 6.707 1.00 0.00 C ATOM 71 CG MET A 1 14.339 -0.999 5.553 1.00 0.00 C ATOM 72 SD MET A 1 16.047 -0.820 6.105 1.00 0.00 S ATOM 73 CE MET A 1 16.918 -1.677 4.795 1.00 0.00 C ATOM 0 H MET A 1 11.307 0.138 8.237 1.00 0.00 H new ATOM 0 HA MET A 1 14.222 0.514 7.914 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.643 -1.826 7.399 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.365 -1.298 6.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.244 -1.915 4.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.087 -0.171 4.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.989 -1.653 4.994 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.581 -2.713 4.751 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.715 -1.188 3.842 1.00 0.00 H new ATOM 83 N SER A 2 13.321 2.626 6.835 1.00 0.00 N ATOM 84 CA SER A 2 13.031 3.789 6.005 1.00 0.00 C ATOM 85 C SER A 2 13.994 4.932 6.315 1.00 0.00 C ATOM 86 O SER A 2 14.704 4.905 7.320 1.00 0.00 O ATOM 87 CB SER A 2 11.588 4.250 6.221 1.00 0.00 C ATOM 88 OG SER A 2 10.707 3.607 5.318 1.00 0.00 O ATOM 0 H SER A 2 13.879 2.828 7.665 1.00 0.00 H new ATOM 0 HA SER A 2 13.160 3.501 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.284 4.036 7.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.524 5.330 6.089 1.00 0.00 H new ATOM 0 HG SER A 2 11.000 2.683 5.177 1.00 0.00 H new ATOM 94 N GLY A 3 14.011 5.936 5.444 1.00 0.00 N ATOM 95 CA GLY A 3 14.889 7.074 5.641 1.00 0.00 C ATOM 96 C GLY A 3 14.283 8.369 5.137 1.00 0.00 C ATOM 97 O GLY A 3 14.941 9.141 4.441 1.00 0.00 O ATOM 0 H GLY A 3 13.432 5.981 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 3 15.118 7.173 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.833 6.894 5.127 1.00 0.00 H new ATOM 101 N GLY A 4 13.023 8.607 5.489 1.00 0.00 N ATOM 102 CA GLY A 4 12.348 9.817 5.057 1.00 0.00 C ATOM 103 C GLY A 4 10.887 9.580 4.727 1.00 0.00 C ATOM 104 O GLY A 4 10.358 10.152 3.774 1.00 0.00 O ATOM 0 H GLY A 4 12.458 7.984 6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.423 10.571 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.855 10.219 4.180 1.00 0.00 H new ATOM 108 N LEU A 5 10.234 8.734 5.516 1.00 0.00 N ATOM 109 CA LEU A 5 8.825 8.421 5.302 1.00 0.00 C ATOM 110 C LEU A 5 7.930 9.408 6.045 1.00 0.00 C ATOM 111 O LEU A 5 7.867 9.401 7.274 1.00 0.00 O ATOM 112 CB LEU A 5 8.524 6.994 5.764 1.00 0.00 C ATOM 113 CG LEU A 5 7.333 6.309 5.092 1.00 0.00 C ATOM 114 CD1 LEU A 5 6.068 7.132 5.279 1.00 0.00 C ATOM 115 CD2 LEU A 5 7.612 6.084 3.613 1.00 0.00 C ATOM 0 H LEU A 5 10.657 8.253 6.309 1.00 0.00 H new ATOM 0 HA LEU A 5 8.617 8.502 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.411 6.384 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.349 7.011 6.840 1.00 0.00 H new ATOM 0 HG LEU A 5 7.183 5.338 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.232 6.629 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.859 7.241 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.206 8.117 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.754 5.596 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.789 7.043 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.493 5.452 3.501 1.00 0.00 H new ATOM 127 N ALA A 6 7.237 10.254 5.289 1.00 0.00 N ATOM 128 CA ALA A 6 6.342 11.244 5.875 1.00 0.00 C ATOM 129 C ALA A 6 4.915 10.713 5.957 1.00 0.00 C ATOM 130 O ALA A 6 4.326 10.291 4.961 1.00 0.00 O ATOM 131 CB ALA A 6 6.382 12.534 5.070 1.00 0.00 C ATOM 0 H ALA A 6 7.278 10.273 4.270 1.00 0.00 H new ATOM 0 HA ALA A 6 6.684 11.451 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.709 13.264 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.398 12.930 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.068 12.333 4.046 1.00 0.00 H new ATOM 137 N PRO A 7 4.343 10.733 7.170 1.00 0.00 N ATOM 138 CA PRO A 7 2.978 10.257 7.410 1.00 0.00 C ATOM 139 C PRO A 7 1.927 11.173 6.792 1.00 0.00 C ATOM 140 O PRO A 7 0.727 10.956 6.955 1.00 0.00 O ATOM 141 CB PRO A 7 2.863 10.263 8.936 1.00 0.00 C ATOM 142 CG PRO A 7 3.852 11.283 9.386 1.00 0.00 C ATOM 143 CD PRO A 7 4.986 11.222 8.401 1.00 0.00 C ATOM 0 HA PRO A 7 2.802 9.280 6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.854 10.522 9.256 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.088 9.282 9.354 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.406 12.277 9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.201 11.069 10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.444 12.200 8.254 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.774 10.549 8.737 1.00 0.00 H new ATOM 151 N SER A 8 2.387 12.199 6.082 1.00 0.00 N ATOM 152 CA SER A 8 1.486 13.151 5.443 1.00 0.00 C ATOM 153 C SER A 8 0.212 12.459 4.969 1.00 0.00 C ATOM 154 O SER A 8 0.222 11.274 4.635 1.00 0.00 O ATOM 155 CB SER A 8 2.182 13.828 4.261 1.00 0.00 C ATOM 156 OG SER A 8 1.688 15.141 4.062 1.00 0.00 O ATOM 0 H SER A 8 3.378 12.392 5.935 1.00 0.00 H new ATOM 0 HA SER A 8 1.215 13.908 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.257 13.864 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.028 13.238 3.358 1.00 0.00 H new ATOM 0 HG SER A 8 2.150 15.553 3.302 1.00 0.00 H new ATOM 162 N LYS A 9 -0.885 13.208 4.943 1.00 0.00 N ATOM 163 CA LYS A 9 -2.169 12.669 4.510 1.00 0.00 C ATOM 164 C LYS A 9 -1.979 11.612 3.427 1.00 0.00 C ATOM 165 O LYS A 9 -2.528 10.514 3.515 1.00 0.00 O ATOM 166 CB LYS A 9 -3.067 13.794 3.987 1.00 0.00 C ATOM 167 CG LYS A 9 -4.549 13.532 4.189 1.00 0.00 C ATOM 168 CD LYS A 9 -5.336 14.828 4.285 1.00 0.00 C ATOM 169 CE LYS A 9 -5.351 15.366 5.708 1.00 0.00 C ATOM 170 NZ LYS A 9 -6.403 14.714 6.536 1.00 0.00 N ATOM 0 H LYS A 9 -0.911 14.190 5.217 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.646 12.200 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.799 14.724 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.873 13.938 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.930 12.934 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.696 12.948 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.898 15.571 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.359 14.660 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.376 15.205 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.520 16.443 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.381 15.108 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.336 14.889 6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.227 13.690 6.577 1.00 0.00 H new ATOM 184 N SER A 10 -1.195 11.950 2.408 1.00 0.00 N ATOM 185 CA SER A 10 -0.934 11.030 1.307 1.00 0.00 C ATOM 186 C SER A 10 -0.898 9.587 1.802 1.00 0.00 C ATOM 187 O SER A 10 -1.657 8.738 1.333 1.00 0.00 O ATOM 188 CB SER A 10 0.390 11.380 0.625 1.00 0.00 C ATOM 189 OG SER A 10 1.302 11.954 1.546 1.00 0.00 O ATOM 0 H SER A 10 -0.730 12.854 2.322 1.00 0.00 H new ATOM 0 HA SER A 10 -1.744 11.128 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.826 10.482 0.188 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.208 12.076 -0.194 1.00 0.00 H new ATOM 0 HG SER A 10 2.141 12.167 1.086 1.00 0.00 H new ATOM 195 N THR A 11 -0.010 9.316 2.753 1.00 0.00 N ATOM 196 CA THR A 11 0.127 7.977 3.312 1.00 0.00 C ATOM 197 C THR A 11 -1.236 7.365 3.615 1.00 0.00 C ATOM 198 O THR A 11 -2.172 8.068 3.997 1.00 0.00 O ATOM 199 CB THR A 11 0.970 7.990 4.601 1.00 0.00 C ATOM 200 OG1 THR A 11 2.264 8.540 4.335 1.00 0.00 O ATOM 201 CG2 THR A 11 1.116 6.585 5.165 1.00 0.00 C ATOM 0 H THR A 11 0.626 10.007 3.152 1.00 0.00 H new ATOM 0 HA THR A 11 0.635 7.372 2.561 1.00 0.00 H new ATOM 0 HB THR A 11 0.458 8.609 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.888 8.265 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.715 6.619 6.075 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.130 6.181 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.608 5.947 4.430 1.00 0.00 H new ATOM 209 N VAL A 12 -1.342 6.052 3.442 1.00 0.00 N ATOM 210 CA VAL A 12 -2.591 5.345 3.699 1.00 0.00 C ATOM 211 C VAL A 12 -2.435 4.352 4.846 1.00 0.00 C ATOM 212 O VAL A 12 -1.685 3.381 4.743 1.00 0.00 O ATOM 213 CB VAL A 12 -3.078 4.592 2.446 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.281 3.724 2.779 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.409 5.573 1.332 1.00 0.00 C ATOM 0 H VAL A 12 -0.578 5.456 3.125 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.330 6.098 3.972 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.276 3.940 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.611 3.200 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.005 2.997 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.091 4.352 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.751 5.025 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.195 6.251 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.519 6.147 1.076 1.00 0.00 H new ATOM 225 N TYR A 13 -3.148 4.603 5.938 1.00 0.00 N ATOM 226 CA TYR A 13 -3.087 3.732 7.106 1.00 0.00 C ATOM 227 C TYR A 13 -3.872 2.446 6.868 1.00 0.00 C ATOM 228 O TYR A 13 -5.096 2.418 7.000 1.00 0.00 O ATOM 229 CB TYR A 13 -3.635 4.457 8.337 1.00 0.00 C ATOM 230 CG TYR A 13 -3.186 3.849 9.647 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.345 2.491 9.896 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.603 4.633 10.635 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.937 1.933 11.092 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.191 4.082 11.833 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.360 2.732 12.057 1.00 0.00 C ATOM 236 OH TYR A 13 -1.951 2.179 13.249 1.00 0.00 O ATOM 0 H TYR A 13 -3.774 5.402 6.039 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.043 3.472 7.280 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.321 5.500 8.304 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.724 4.450 8.297 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.795 1.862 9.142 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.470 5.691 10.464 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.069 0.876 11.271 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.739 4.705 12.590 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.565 2.877 13.818 1.00 0.00 H new ATOM 246 N VAL A 14 -3.158 1.381 6.517 1.00 0.00 N ATOM 247 CA VAL A 14 -3.785 0.090 6.262 1.00 0.00 C ATOM 248 C VAL A 14 -3.392 -0.932 7.324 1.00 0.00 C ATOM 249 O VAL A 14 -2.264 -0.927 7.816 1.00 0.00 O ATOM 250 CB VAL A 14 -3.402 -0.456 4.874 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.297 -1.626 4.494 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.480 0.647 3.828 1.00 0.00 C ATOM 0 H VAL A 14 -2.144 1.387 6.403 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.863 0.250 6.297 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.374 -0.815 4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.011 -1.998 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.186 -2.423 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.336 -1.297 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.206 0.244 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.497 1.038 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.793 1.450 4.094 1.00 0.00 H new ATOM 262 N SER A 15 -4.331 -1.806 7.671 1.00 0.00 N ATOM 263 CA SER A 15 -4.084 -2.833 8.677 1.00 0.00 C ATOM 264 C SER A 15 -4.663 -4.174 8.238 1.00 0.00 C ATOM 265 O SER A 15 -5.385 -4.256 7.246 1.00 0.00 O ATOM 266 CB SER A 15 -4.690 -2.418 10.019 1.00 0.00 C ATOM 267 OG SER A 15 -4.022 -1.288 10.553 1.00 0.00 O ATOM 0 H SER A 15 -5.269 -1.824 7.271 1.00 0.00 H new ATOM 0 HA SER A 15 -3.006 -2.943 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.748 -2.191 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.626 -3.248 10.723 1.00 0.00 H new ATOM 0 HG SER A 15 -4.429 -1.042 11.410 1.00 0.00 H new ATOM 273 N ASN A 16 -4.339 -5.224 8.986 1.00 0.00 N ATOM 274 CA ASN A 16 -4.825 -6.563 8.674 1.00 0.00 C ATOM 275 C ASN A 16 -4.290 -7.037 7.326 1.00 0.00 C ATOM 276 O ASN A 16 -4.898 -7.881 6.667 1.00 0.00 O ATOM 277 CB ASN A 16 -6.355 -6.583 8.664 1.00 0.00 C ATOM 278 CG ASN A 16 -6.939 -6.909 10.025 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.861 -6.105 10.954 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.527 -8.093 10.149 1.00 0.00 N ATOM 0 H ASN A 16 -3.742 -5.173 9.812 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.464 -7.242 9.446 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.726 -5.612 8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.701 -7.318 7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.937 -8.368 11.042 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.568 -8.728 9.352 1.00 0.00 H new ATOM 287 N LEU A 17 -3.150 -6.487 6.923 1.00 0.00 N ATOM 288 CA LEU A 17 -2.532 -6.853 5.653 1.00 0.00 C ATOM 289 C LEU A 17 -1.747 -8.155 5.785 1.00 0.00 C ATOM 290 O LEU A 17 -1.165 -8.454 6.827 1.00 0.00 O ATOM 291 CB LEU A 17 -1.607 -5.733 5.172 1.00 0.00 C ATOM 292 CG LEU A 17 -2.295 -4.457 4.687 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.324 -3.287 4.705 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.865 -4.657 3.290 1.00 0.00 C ATOM 0 H LEU A 17 -2.635 -5.787 7.457 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.325 -7.001 4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.932 -5.471 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.991 -6.121 4.361 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.118 -4.230 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.832 -2.388 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.963 -3.129 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.480 -3.504 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.351 -3.739 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.059 -4.908 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.594 -5.467 3.307 1.00 0.00 H new ATOM 306 N PRO A 18 -1.728 -8.947 4.702 1.00 0.00 N ATOM 307 CA PRO A 18 -1.016 -10.228 4.671 1.00 0.00 C ATOM 308 C PRO A 18 0.498 -10.050 4.688 1.00 0.00 C ATOM 309 O PRO A 18 1.145 -10.049 3.640 1.00 0.00 O ATOM 310 CB PRO A 18 -1.467 -10.852 3.348 1.00 0.00 C ATOM 311 CG PRO A 18 -1.846 -9.693 2.492 1.00 0.00 C ATOM 312 CD PRO A 18 -2.401 -8.652 3.426 1.00 0.00 C ATOM 0 HA PRO A 18 -1.239 -10.840 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.667 -11.436 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.310 -11.527 3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.982 -9.310 1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.587 -9.984 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.181 -7.642 3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.485 -8.729 3.516 1.00 0.00 H new ATOM 320 N PHE A 19 1.058 -9.899 5.883 1.00 0.00 N ATOM 321 CA PHE A 19 2.497 -9.720 6.036 1.00 0.00 C ATOM 322 C PHE A 19 3.264 -10.723 5.179 1.00 0.00 C ATOM 323 O PHE A 19 4.400 -10.471 4.776 1.00 0.00 O ATOM 324 CB PHE A 19 2.899 -9.874 7.504 1.00 0.00 C ATOM 325 CG PHE A 19 2.171 -10.981 8.212 1.00 0.00 C ATOM 326 CD1 PHE A 19 0.962 -10.740 8.844 1.00 0.00 C ATOM 327 CD2 PHE A 19 2.695 -12.263 8.244 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.290 -11.756 9.496 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.028 -13.284 8.895 1.00 0.00 C ATOM 330 CZ PHE A 19 0.823 -13.030 9.521 1.00 0.00 C ATOM 0 H PHE A 19 0.537 -9.897 6.760 1.00 0.00 H new ATOM 0 HA PHE A 19 2.750 -8.714 5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.971 -10.061 7.561 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.711 -8.935 8.024 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.540 -9.746 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.636 -12.467 7.755 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.651 -11.554 9.986 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.448 -14.279 8.914 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.299 -13.826 10.029 1.00 0.00 H new ATOM 340 N SER A 20 2.635 -11.861 4.906 1.00 0.00 N ATOM 341 CA SER A 20 3.259 -12.905 4.100 1.00 0.00 C ATOM 342 C SER A 20 3.876 -12.319 2.834 1.00 0.00 C ATOM 343 O SER A 20 4.910 -12.788 2.358 1.00 0.00 O ATOM 344 CB SER A 20 2.232 -13.977 3.732 1.00 0.00 C ATOM 345 OG SER A 20 2.868 -15.153 3.262 1.00 0.00 O ATOM 0 H SER A 20 1.694 -12.084 5.231 1.00 0.00 H new ATOM 0 HA SER A 20 4.053 -13.361 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.621 -14.214 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.559 -13.593 2.965 1.00 0.00 H new ATOM 0 HG SER A 20 2.190 -15.823 3.035 1.00 0.00 H new ATOM 351 N LEU A 21 3.233 -11.290 2.293 1.00 0.00 N ATOM 352 CA LEU A 21 3.717 -10.637 1.081 1.00 0.00 C ATOM 353 C LEU A 21 4.939 -9.774 1.378 1.00 0.00 C ATOM 354 O LEU A 21 5.418 -9.725 2.511 1.00 0.00 O ATOM 355 CB LEU A 21 2.610 -9.780 0.463 1.00 0.00 C ATOM 356 CG LEU A 21 1.218 -10.410 0.421 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.222 -9.460 -0.225 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.255 -11.735 -0.325 1.00 0.00 C ATOM 0 H LEU A 21 2.376 -10.890 2.674 1.00 0.00 H new ATOM 0 HA LEU A 21 4.007 -11.412 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.547 -8.846 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.902 -9.524 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 21 0.895 -10.601 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.763 -9.925 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.175 -8.536 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.540 -9.237 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.255 -12.169 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.599 -11.568 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.937 -12.418 0.181 1.00 0.00 H new ATOM 370 N THR A 22 5.438 -9.091 0.352 1.00 0.00 N ATOM 371 CA THR A 22 6.603 -8.229 0.503 1.00 0.00 C ATOM 372 C THR A 22 6.328 -6.832 -0.042 1.00 0.00 C ATOM 373 O THR A 22 5.408 -6.636 -0.836 1.00 0.00 O ATOM 374 CB THR A 22 7.833 -8.815 -0.217 1.00 0.00 C ATOM 375 OG1 THR A 22 9.022 -8.150 0.224 1.00 0.00 O ATOM 376 CG2 THR A 22 7.695 -8.672 -1.726 1.00 0.00 C ATOM 0 H THR A 22 5.053 -9.119 -0.592 1.00 0.00 H new ATOM 0 HA THR A 22 6.812 -8.165 1.571 1.00 0.00 H new ATOM 0 HB THR A 22 7.899 -9.875 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.799 -8.529 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.575 -9.092 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.805 -9.204 -2.062 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.606 -7.617 -1.985 1.00 0.00 H new ATOM 384 N ASN A 23 7.130 -5.865 0.389 1.00 0.00 N ATOM 385 CA ASN A 23 6.972 -4.485 -0.056 1.00 0.00 C ATOM 386 C ASN A 23 6.536 -4.431 -1.517 1.00 0.00 C ATOM 387 O ASN A 23 5.587 -3.731 -1.867 1.00 0.00 O ATOM 388 CB ASN A 23 8.282 -3.715 0.125 1.00 0.00 C ATOM 389 CG ASN A 23 9.039 -4.147 1.366 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.690 -5.193 1.377 1.00 0.00 O ATOM 391 ND2 ASN A 23 8.958 -3.343 2.419 1.00 0.00 N ATOM 0 H ASN A 23 7.896 -6.011 1.046 1.00 0.00 H new ATOM 0 HA ASN A 23 6.197 -4.020 0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.912 -3.864 -0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.068 -2.648 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.447 -3.582 3.282 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.407 -2.486 2.365 1.00 0.00 H new ATOM 398 N ASN A 24 7.236 -5.177 -2.366 1.00 0.00 N ATOM 399 CA ASN A 24 6.921 -5.215 -3.789 1.00 0.00 C ATOM 400 C ASN A 24 5.451 -5.555 -4.012 1.00 0.00 C ATOM 401 O ASN A 24 4.754 -4.879 -4.769 1.00 0.00 O ATOM 402 CB ASN A 24 7.807 -6.239 -4.502 1.00 0.00 C ATOM 403 CG ASN A 24 7.975 -5.931 -5.977 1.00 0.00 C ATOM 404 OD1 ASN A 24 7.247 -6.456 -6.819 1.00 0.00 O ATOM 405 ND2 ASN A 24 8.940 -5.076 -6.296 1.00 0.00 N ATOM 0 H ASN A 24 8.025 -5.763 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 24 7.114 -4.226 -4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.787 -6.262 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.373 -7.232 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.102 -4.831 -7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.520 -4.665 -5.564 1.00 0.00 H new ATOM 412 N ASP A 25 4.986 -6.607 -3.348 1.00 0.00 N ATOM 413 CA ASP A 25 3.598 -7.037 -3.472 1.00 0.00 C ATOM 414 C ASP A 25 2.643 -5.889 -3.159 1.00 0.00 C ATOM 415 O ASP A 25 1.831 -5.497 -3.997 1.00 0.00 O ATOM 416 CB ASP A 25 3.321 -8.216 -2.537 1.00 0.00 C ATOM 417 CG ASP A 25 3.847 -9.527 -3.088 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.773 -9.726 -4.318 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.332 -10.355 -2.288 1.00 0.00 O ATOM 0 H ASP A 25 5.550 -7.178 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 25 3.433 -7.353 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.780 -8.023 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.247 -8.300 -2.371 1.00 0.00 H new ATOM 424 N LEU A 26 2.746 -5.355 -1.947 1.00 0.00 N ATOM 425 CA LEU A 26 1.891 -4.252 -1.522 1.00 0.00 C ATOM 426 C LEU A 26 1.909 -3.123 -2.547 1.00 0.00 C ATOM 427 O LEU A 26 0.859 -2.628 -2.959 1.00 0.00 O ATOM 428 CB LEU A 26 2.344 -3.726 -0.159 1.00 0.00 C ATOM 429 CG LEU A 26 2.101 -4.652 1.033 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.751 -4.090 2.288 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.610 -4.862 1.251 1.00 0.00 C ATOM 0 H LEU A 26 3.413 -5.668 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 26 0.871 -4.626 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.411 -3.508 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.835 -2.781 0.031 1.00 0.00 H new ATOM 0 HG LEU A 26 2.556 -5.618 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.567 -4.763 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.825 -3.993 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.327 -3.111 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.457 -5.524 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.132 -3.902 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.172 -5.311 0.360 1.00 0.00 H new ATOM 443 N TYR A 27 3.107 -2.722 -2.957 1.00 0.00 N ATOM 444 CA TYR A 27 3.262 -1.651 -3.934 1.00 0.00 C ATOM 445 C TYR A 27 2.277 -1.820 -5.087 1.00 0.00 C ATOM 446 O TYR A 27 1.575 -0.880 -5.462 1.00 0.00 O ATOM 447 CB TYR A 27 4.694 -1.626 -4.472 1.00 0.00 C ATOM 448 CG TYR A 27 4.936 -0.543 -5.498 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.424 -0.651 -6.786 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.678 0.589 -5.182 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.643 0.335 -7.727 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.901 1.581 -6.117 1.00 0.00 C ATOM 453 CZ TYR A 27 5.382 1.450 -7.388 1.00 0.00 C ATOM 454 OH TYR A 27 5.603 2.436 -8.322 1.00 0.00 O ATOM 0 H TYR A 27 3.985 -3.123 -2.628 1.00 0.00 H new ATOM 0 HA TYR A 27 3.052 -0.705 -3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.384 -1.487 -3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.923 -2.594 -4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.845 -1.522 -7.055 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.087 0.695 -4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.238 0.234 -8.723 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.479 2.455 -5.854 1.00 0.00 H new ATOM 0 HH TYR A 27 5.507 3.315 -7.899 1.00 0.00 H new ATOM 464 N ARG A 28 2.231 -3.025 -5.646 1.00 0.00 N ATOM 465 CA ARG A 28 1.333 -3.318 -6.757 1.00 0.00 C ATOM 466 C ARG A 28 -0.117 -3.372 -6.284 1.00 0.00 C ATOM 467 O ARG A 28 -0.989 -2.712 -6.849 1.00 0.00 O ATOM 468 CB ARG A 28 1.717 -4.645 -7.414 1.00 0.00 C ATOM 469 CG ARG A 28 3.139 -4.671 -7.949 1.00 0.00 C ATOM 470 CD ARG A 28 3.717 -6.077 -7.925 1.00 0.00 C ATOM 471 NE ARG A 28 3.065 -6.954 -8.895 1.00 0.00 N ATOM 472 CZ ARG A 28 3.388 -8.231 -9.063 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.348 -8.779 -8.331 1.00 0.00 N ATOM 474 NH2 ARG A 28 2.748 -8.965 -9.966 1.00 0.00 N ATOM 0 H ARG A 28 2.805 -3.814 -5.348 1.00 0.00 H new ATOM 0 HA ARG A 28 1.428 -2.517 -7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.597 -5.449 -6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.026 -4.849 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.152 -4.288 -8.970 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.766 -4.008 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.785 -6.033 -8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.607 -6.497 -6.925 1.00 0.00 H new ATOM 0 HE ARG A 28 2.322 -6.564 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.842 -8.219 -7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.593 -9.760 -8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.008 -8.548 -10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.996 -9.946 -10.095 1.00 0.00 H new ATOM 488 N ILE A 29 -0.366 -4.164 -5.247 1.00 0.00 N ATOM 489 CA ILE A 29 -1.710 -4.304 -4.698 1.00 0.00 C ATOM 490 C ILE A 29 -2.374 -2.943 -4.518 1.00 0.00 C ATOM 491 O ILE A 29 -3.556 -2.773 -4.817 1.00 0.00 O ATOM 492 CB ILE A 29 -1.692 -5.037 -3.344 1.00 0.00 C ATOM 493 CG1 ILE A 29 -1.150 -6.458 -3.517 1.00 0.00 C ATOM 494 CG2 ILE A 29 -3.087 -5.066 -2.739 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.796 -7.132 -2.210 1.00 0.00 C ATOM 0 H ILE A 29 0.345 -4.719 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.283 -4.894 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.034 -4.497 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.894 -7.061 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.264 -6.426 -4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.058 -5.587 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.438 -4.046 -2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.766 -5.586 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.419 -8.135 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.030 -6.551 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.684 -7.196 -1.581 1.00 0.00 H new ATOM 507 N PHE A 30 -1.605 -1.976 -4.028 1.00 0.00 N ATOM 508 CA PHE A 30 -2.119 -0.629 -3.808 1.00 0.00 C ATOM 509 C PHE A 30 -1.994 0.214 -5.074 1.00 0.00 C ATOM 510 O PHE A 30 -2.582 1.291 -5.177 1.00 0.00 O ATOM 511 CB PHE A 30 -1.368 0.044 -2.657 1.00 0.00 C ATOM 512 CG PHE A 30 -1.691 -0.537 -1.311 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.897 -0.255 -0.690 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.787 -1.366 -0.665 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.196 -0.788 0.550 1.00 0.00 C ATOM 516 CE2 PHE A 30 -1.080 -1.902 0.575 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.287 -1.613 1.182 1.00 0.00 C ATOM 0 H PHE A 30 -0.624 -2.100 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.175 -0.707 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.296 -0.042 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.606 1.108 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.612 0.389 -1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.157 -1.596 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.139 -0.559 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.367 -2.546 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.519 -2.032 2.150 1.00 0.00 H new ATOM 527 N SER A 31 -1.222 -0.283 -6.036 1.00 0.00 N ATOM 528 CA SER A 31 -1.016 0.425 -7.293 1.00 0.00 C ATOM 529 C SER A 31 -2.279 0.394 -8.148 1.00 0.00 C ATOM 530 O SER A 31 -2.543 1.315 -8.921 1.00 0.00 O ATOM 531 CB SER A 31 0.152 -0.192 -8.065 1.00 0.00 C ATOM 532 OG SER A 31 0.375 0.491 -9.286 1.00 0.00 O ATOM 0 H SER A 31 -0.729 -1.173 -5.968 1.00 0.00 H new ATOM 0 HA SER A 31 -0.781 1.464 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.054 -0.156 -7.455 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.056 -1.243 -8.266 1.00 0.00 H new ATOM 0 HG SER A 31 1.127 0.078 -9.759 1.00 0.00 H new ATOM 538 N LYS A 32 -3.056 -0.674 -8.005 1.00 0.00 N ATOM 539 CA LYS A 32 -4.293 -0.828 -8.762 1.00 0.00 C ATOM 540 C LYS A 32 -5.143 0.436 -8.678 1.00 0.00 C ATOM 541 O LYS A 32 -5.990 0.684 -9.537 1.00 0.00 O ATOM 542 CB LYS A 32 -5.089 -2.026 -8.239 1.00 0.00 C ATOM 543 CG LYS A 32 -5.951 -1.703 -7.030 1.00 0.00 C ATOM 544 CD LYS A 32 -6.888 -2.850 -6.691 1.00 0.00 C ATOM 545 CE LYS A 32 -8.144 -2.815 -7.549 1.00 0.00 C ATOM 546 NZ LYS A 32 -8.777 -4.159 -7.660 1.00 0.00 N ATOM 0 H LYS A 32 -2.851 -1.447 -7.371 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.032 -1.001 -9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.726 -2.405 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.396 -2.826 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.312 -1.489 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.533 -0.803 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.372 -3.799 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.164 -2.797 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.858 -2.112 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.894 -2.448 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.629 -4.093 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.105 -4.824 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.039 -4.499 -6.713 1.00 0.00 H new ATOM 560 N TYR A 33 -4.910 1.232 -7.641 1.00 0.00 N ATOM 561 CA TYR A 33 -5.655 2.471 -7.446 1.00 0.00 C ATOM 562 C TYR A 33 -4.832 3.677 -7.888 1.00 0.00 C ATOM 563 O TYR A 33 -5.244 4.436 -8.764 1.00 0.00 O ATOM 564 CB TYR A 33 -6.056 2.623 -5.978 1.00 0.00 C ATOM 565 CG TYR A 33 -6.787 1.422 -5.422 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.064 1.095 -5.863 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.202 0.614 -4.456 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.736 -0.001 -5.358 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.866 -0.485 -3.945 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.132 -0.788 -4.399 1.00 0.00 C ATOM 571 OH TYR A 33 -8.798 -1.881 -3.894 1.00 0.00 O ATOM 0 H TYR A 33 -4.212 1.042 -6.922 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.555 2.425 -8.059 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.161 2.801 -5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.689 3.504 -5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.539 1.709 -6.614 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.211 0.849 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.728 -0.240 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.396 -1.103 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.165 -2.459 -3.420 1.00 0.00 H new ATOM 581 N GLY A 34 -3.665 3.846 -7.274 1.00 0.00 N ATOM 582 CA GLY A 34 -2.801 4.961 -7.617 1.00 0.00 C ATOM 583 C GLY A 34 -1.331 4.602 -7.533 1.00 0.00 C ATOM 584 O GLY A 34 -0.932 3.772 -6.716 1.00 0.00 O ATOM 0 H GLY A 34 -3.302 3.231 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.032 5.299 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.007 5.796 -6.947 1.00 0.00 H new ATOM 588 N LYS A 35 -0.522 5.226 -8.383 1.00 0.00 N ATOM 589 CA LYS A 35 0.913 4.969 -8.403 1.00 0.00 C ATOM 590 C LYS A 35 1.511 5.110 -7.007 1.00 0.00 C ATOM 591 O LYS A 35 1.183 6.041 -6.271 1.00 0.00 O ATOM 592 CB LYS A 35 1.611 5.931 -9.367 1.00 0.00 C ATOM 593 CG LYS A 35 2.863 5.352 -10.003 1.00 0.00 C ATOM 594 CD LYS A 35 2.522 4.348 -11.092 1.00 0.00 C ATOM 595 CE LYS A 35 3.757 3.943 -11.883 1.00 0.00 C ATOM 596 NZ LYS A 35 3.468 2.832 -12.831 1.00 0.00 N ATOM 0 H LYS A 35 -0.836 5.914 -9.067 1.00 0.00 H new ATOM 0 HA LYS A 35 1.068 3.945 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.912 6.215 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.874 6.843 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.464 6.158 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.470 4.868 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.069 3.463 -10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.782 4.778 -11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.133 4.804 -12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.545 3.638 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.334 2.585 -13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.134 2.002 -12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.734 3.132 -13.504 1.00 0.00 H new ATOM 610 N VAL A 36 2.391 4.180 -6.648 1.00 0.00 N ATOM 611 CA VAL A 36 3.037 4.202 -5.341 1.00 0.00 C ATOM 612 C VAL A 36 4.459 4.741 -5.440 1.00 0.00 C ATOM 613 O VAL A 36 5.167 4.480 -6.413 1.00 0.00 O ATOM 614 CB VAL A 36 3.074 2.798 -4.709 1.00 0.00 C ATOM 615 CG1 VAL A 36 4.024 2.771 -3.522 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.676 2.364 -4.294 1.00 0.00 C ATOM 0 H VAL A 36 2.673 3.402 -7.244 1.00 0.00 H new ATOM 0 HA VAL A 36 2.445 4.862 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 36 3.443 2.093 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.037 1.771 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.028 3.036 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.689 3.487 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.721 1.370 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.277 3.070 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.027 2.341 -5.170 1.00 0.00 H new ATOM 626 N VAL A 37 4.873 5.494 -4.425 1.00 0.00 N ATOM 627 CA VAL A 37 6.213 6.068 -4.397 1.00 0.00 C ATOM 628 C VAL A 37 7.124 5.292 -3.452 1.00 0.00 C ATOM 629 O VAL A 37 8.302 5.084 -3.739 1.00 0.00 O ATOM 630 CB VAL A 37 6.181 7.546 -3.963 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.592 8.104 -3.863 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.341 8.366 -4.930 1.00 0.00 C ATOM 0 H VAL A 37 4.300 5.720 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 37 6.607 6.003 -5.411 1.00 0.00 H new ATOM 0 HB VAL A 37 5.722 7.608 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.549 9.149 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.158 7.532 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.082 8.032 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.329 9.407 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.769 8.300 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.322 7.979 -4.945 1.00 0.00 H new ATOM 642 N LYS A 38 6.569 4.866 -2.322 1.00 0.00 N ATOM 643 CA LYS A 38 7.330 4.111 -1.333 1.00 0.00 C ATOM 644 C LYS A 38 6.398 3.349 -0.396 1.00 0.00 C ATOM 645 O LYS A 38 5.329 3.840 -0.032 1.00 0.00 O ATOM 646 CB LYS A 38 8.228 5.049 -0.524 1.00 0.00 C ATOM 647 CG LYS A 38 9.383 5.625 -1.325 1.00 0.00 C ATOM 648 CD LYS A 38 10.517 6.078 -0.420 1.00 0.00 C ATOM 649 CE LYS A 38 11.490 6.985 -1.157 1.00 0.00 C ATOM 650 NZ LYS A 38 12.535 7.532 -0.249 1.00 0.00 N ATOM 0 H LYS A 38 5.595 5.031 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 38 7.953 3.391 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.625 5.868 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.626 4.507 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.752 4.875 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.031 6.469 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.108 6.605 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.049 5.207 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.966 6.428 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.942 7.807 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.178 8.145 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.083 8.085 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.075 6.748 0.171 1.00 0.00 H new ATOM 664 N VAL A 39 6.810 2.146 -0.008 1.00 0.00 N ATOM 665 CA VAL A 39 6.014 1.318 0.889 1.00 0.00 C ATOM 666 C VAL A 39 6.531 1.403 2.320 1.00 0.00 C ATOM 667 O VAL A 39 7.692 1.742 2.554 1.00 0.00 O ATOM 668 CB VAL A 39 6.015 -0.156 0.441 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.219 -1.011 1.415 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.460 -0.284 -0.970 1.00 0.00 C ATOM 0 H VAL A 39 7.691 1.724 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 39 4.994 1.701 0.851 1.00 0.00 H new ATOM 0 HB VAL A 39 7.044 -0.516 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.231 -2.049 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.665 -0.943 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.190 -0.655 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.468 -1.332 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.437 0.093 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.076 0.295 -1.657 1.00 0.00 H new ATOM 680 N THR A 40 5.662 1.091 3.278 1.00 0.00 N ATOM 681 CA THR A 40 6.031 1.133 4.687 1.00 0.00 C ATOM 682 C THR A 40 5.246 0.103 5.491 1.00 0.00 C ATOM 683 O THR A 40 4.080 -0.168 5.200 1.00 0.00 O ATOM 684 CB THR A 40 5.790 2.530 5.290 1.00 0.00 C ATOM 685 OG1 THR A 40 6.404 3.530 4.470 1.00 0.00 O ATOM 686 CG2 THR A 40 6.347 2.613 6.703 1.00 0.00 C ATOM 0 H THR A 40 4.698 0.807 3.103 1.00 0.00 H new ATOM 0 HA THR A 40 7.094 0.900 4.742 1.00 0.00 H new ATOM 0 HB THR A 40 4.715 2.704 5.330 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.333 3.278 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.165 3.608 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.856 1.870 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.420 2.420 6.683 1.00 0.00 H new ATOM 694 N ILE A 41 5.891 -0.468 6.503 1.00 0.00 N ATOM 695 CA ILE A 41 5.251 -1.467 7.350 1.00 0.00 C ATOM 696 C ILE A 41 5.598 -1.246 8.818 1.00 0.00 C ATOM 697 O ILE A 41 6.734 -0.915 9.155 1.00 0.00 O ATOM 698 CB ILE A 41 5.664 -2.894 6.946 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.316 -3.153 5.479 1.00 0.00 C ATOM 700 CG2 ILE A 41 4.985 -3.917 7.845 1.00 0.00 C ATOM 701 CD1 ILE A 41 5.947 -4.410 4.921 1.00 0.00 C ATOM 0 H ILE A 41 6.856 -0.256 6.756 1.00 0.00 H new ATOM 0 HA ILE A 41 4.175 -1.356 7.213 1.00 0.00 H new ATOM 0 HB ILE A 41 6.743 -2.992 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.233 -3.224 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.636 -2.299 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.287 -4.921 7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.278 -3.743 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.903 -3.821 7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.657 -4.530 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.032 -4.334 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.607 -5.273 5.494 1.00 0.00 H new ATOM 713 N MET A 42 4.611 -1.433 9.688 1.00 0.00 N ATOM 714 CA MET A 42 4.812 -1.257 11.122 1.00 0.00 C ATOM 715 C MET A 42 5.477 -2.487 11.732 1.00 0.00 C ATOM 716 O MET A 42 5.445 -3.574 11.155 1.00 0.00 O ATOM 717 CB MET A 42 3.477 -0.987 11.817 1.00 0.00 C ATOM 718 CG MET A 42 2.858 0.351 11.447 1.00 0.00 C ATOM 719 SD MET A 42 3.751 1.749 12.154 1.00 0.00 S ATOM 720 CE MET A 42 3.688 2.913 10.794 1.00 0.00 C ATOM 0 H MET A 42 3.664 -1.706 9.425 1.00 0.00 H new ATOM 0 HA MET A 42 5.469 -0.400 11.269 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.778 -1.784 11.564 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.625 -1.023 12.896 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.837 0.450 10.362 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.823 0.375 11.789 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.645 3.429 10.712 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.483 2.378 9.867 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.897 3.641 10.975 1.00 0.00 H new ATOM 730 N LYS A 43 6.080 -2.308 12.903 1.00 0.00 N ATOM 731 CA LYS A 43 6.753 -3.403 13.593 1.00 0.00 C ATOM 732 C LYS A 43 6.585 -3.277 15.104 1.00 0.00 C ATOM 733 O LYS A 43 7.135 -2.368 15.725 1.00 0.00 O ATOM 734 CB LYS A 43 8.240 -3.422 13.233 1.00 0.00 C ATOM 735 CG LYS A 43 8.554 -4.233 11.988 1.00 0.00 C ATOM 736 CD LYS A 43 8.507 -3.372 10.736 1.00 0.00 C ATOM 737 CE LYS A 43 9.377 -3.949 9.630 1.00 0.00 C ATOM 738 NZ LYS A 43 10.825 -3.880 9.970 1.00 0.00 N ATOM 0 H LYS A 43 6.116 -1.415 13.394 1.00 0.00 H new ATOM 0 HA LYS A 43 6.296 -4.339 13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.583 -2.398 13.085 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.803 -3.828 14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.542 -4.682 12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.840 -5.051 11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.478 -3.292 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.842 -2.363 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.095 -4.987 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.195 -3.404 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.379 -3.733 9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.991 -3.089 10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.118 -4.770 10.421 1.00 0.00 H new ATOM 752 N ASP A 44 5.825 -4.197 15.688 1.00 0.00 N ATOM 753 CA ASP A 44 5.587 -4.191 17.127 1.00 0.00 C ATOM 754 C ASP A 44 6.902 -4.087 17.894 1.00 0.00 C ATOM 755 O ASP A 44 7.980 -4.072 17.300 1.00 0.00 O ATOM 756 CB ASP A 44 4.836 -5.455 17.547 1.00 0.00 C ATOM 757 CG ASP A 44 4.218 -5.330 18.925 1.00 0.00 C ATOM 758 OD1 ASP A 44 3.126 -4.734 19.034 1.00 0.00 O ATOM 759 OD2 ASP A 44 4.826 -5.827 19.896 1.00 0.00 O ATOM 0 H ASP A 44 5.363 -4.956 15.187 1.00 0.00 H new ATOM 0 HA ASP A 44 4.977 -3.320 17.366 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.053 -5.668 16.819 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.522 -6.302 17.535 1.00 0.00 H new ATOM 764 N LYS A 45 6.805 -4.016 19.217 1.00 0.00 N ATOM 765 CA LYS A 45 7.985 -3.914 20.067 1.00 0.00 C ATOM 766 C LYS A 45 8.333 -5.267 20.680 1.00 0.00 C ATOM 767 O LYS A 45 9.383 -5.839 20.389 1.00 0.00 O ATOM 768 CB LYS A 45 7.754 -2.884 21.175 1.00 0.00 C ATOM 769 CG LYS A 45 9.025 -2.193 21.638 1.00 0.00 C ATOM 770 CD LYS A 45 9.688 -2.951 22.777 1.00 0.00 C ATOM 771 CE LYS A 45 9.086 -2.574 24.122 1.00 0.00 C ATOM 772 NZ LYS A 45 9.767 -1.395 24.724 1.00 0.00 N ATOM 0 H LYS A 45 5.920 -4.027 19.724 1.00 0.00 H new ATOM 0 HA LYS A 45 8.821 -3.590 19.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.050 -2.131 20.819 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.288 -3.378 22.027 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.720 -2.109 20.802 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.792 -1.179 21.962 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.577 -4.023 22.615 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.757 -2.739 22.783 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.025 -2.356 23.997 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.159 -3.422 24.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.327 -1.170 25.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.774 -1.612 24.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.676 -0.578 24.086 1.00 0.00 H new ATOM 786 N ASP A 46 7.444 -5.772 21.528 1.00 0.00 N ATOM 787 CA ASP A 46 7.656 -7.059 22.180 1.00 0.00 C ATOM 788 C ASP A 46 7.665 -8.192 21.158 1.00 0.00 C ATOM 789 O ASP A 46 8.673 -8.878 20.984 1.00 0.00 O ATOM 790 CB ASP A 46 6.569 -7.310 23.227 1.00 0.00 C ATOM 791 CG ASP A 46 6.506 -6.212 24.270 1.00 0.00 C ATOM 792 OD1 ASP A 46 7.495 -6.043 25.013 1.00 0.00 O ATOM 793 OD2 ASP A 46 5.467 -5.522 24.344 1.00 0.00 O ATOM 0 H ASP A 46 6.570 -5.310 21.780 1.00 0.00 H new ATOM 0 HA ASP A 46 8.627 -7.032 22.674 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.602 -7.391 22.730 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.756 -8.264 23.719 1.00 0.00 H new ATOM 798 N THR A 47 6.535 -8.383 20.483 1.00 0.00 N ATOM 799 CA THR A 47 6.413 -9.433 19.480 1.00 0.00 C ATOM 800 C THR A 47 7.286 -9.138 18.266 1.00 0.00 C ATOM 801 O THR A 47 7.837 -10.050 17.649 1.00 0.00 O ATOM 802 CB THR A 47 4.953 -9.601 19.019 1.00 0.00 C ATOM 803 OG1 THR A 47 4.521 -8.429 18.320 1.00 0.00 O ATOM 804 CG2 THR A 47 4.036 -9.856 20.207 1.00 0.00 C ATOM 0 H THR A 47 5.692 -7.824 20.613 1.00 0.00 H new ATOM 0 HA THR A 47 6.748 -10.358 19.948 1.00 0.00 H new ATOM 0 HB THR A 47 4.904 -10.461 18.350 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.592 -8.545 18.029 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.010 -9.971 19.857 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.349 -10.766 20.719 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.091 -9.014 20.897 1.00 0.00 H new ATOM 812 N ARG A 48 7.409 -7.858 17.928 1.00 0.00 N ATOM 813 CA ARG A 48 8.215 -7.444 16.786 1.00 0.00 C ATOM 814 C ARG A 48 7.652 -8.012 15.487 1.00 0.00 C ATOM 815 O ARG A 48 8.379 -8.601 14.687 1.00 0.00 O ATOM 816 CB ARG A 48 9.665 -7.897 16.967 1.00 0.00 C ATOM 817 CG ARG A 48 10.536 -6.879 17.684 1.00 0.00 C ATOM 818 CD ARG A 48 11.998 -7.020 17.289 1.00 0.00 C ATOM 819 NE ARG A 48 12.275 -6.413 15.990 1.00 0.00 N ATOM 820 CZ ARG A 48 12.330 -5.102 15.788 1.00 0.00 C ATOM 821 NH1 ARG A 48 12.129 -4.264 16.796 1.00 0.00 N ATOM 822 NH2 ARG A 48 12.588 -4.626 14.577 1.00 0.00 N ATOM 0 H ARG A 48 6.961 -7.091 18.429 1.00 0.00 H new ATOM 0 HA ARG A 48 8.185 -6.356 16.729 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.677 -8.832 17.527 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.096 -8.106 15.988 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.190 -5.873 17.449 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.435 -7.007 18.762 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.625 -6.553 18.048 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.265 -8.076 17.260 1.00 0.00 H new ATOM 0 HE ARG A 48 12.435 -7.030 15.194 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.932 -4.626 17.729 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.172 -3.257 16.638 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.744 -5.267 13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.630 -3.619 14.423 1.00 0.00 H new ATOM 836 N LYS A 49 6.351 -7.832 15.284 1.00 0.00 N ATOM 837 CA LYS A 49 5.688 -8.326 14.082 1.00 0.00 C ATOM 838 C LYS A 49 4.920 -7.207 13.386 1.00 0.00 C ATOM 839 O LYS A 49 4.604 -6.186 13.996 1.00 0.00 O ATOM 840 CB LYS A 49 4.736 -9.471 14.434 1.00 0.00 C ATOM 841 CG LYS A 49 5.418 -10.641 15.122 1.00 0.00 C ATOM 842 CD LYS A 49 6.500 -11.249 14.245 1.00 0.00 C ATOM 843 CE LYS A 49 6.985 -12.579 14.800 1.00 0.00 C ATOM 844 NZ LYS A 49 5.998 -13.670 14.568 1.00 0.00 N ATOM 0 H LYS A 49 5.734 -7.348 15.936 1.00 0.00 H new ATOM 0 HA LYS A 49 6.454 -8.696 13.400 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.947 -9.090 15.082 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.256 -9.826 13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.856 -10.306 16.063 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.677 -11.402 15.368 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.113 -11.394 13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.339 -10.558 14.169 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.934 -12.843 14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.172 -12.480 15.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.425 -14.584 14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.156 -13.507 15.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.723 -13.682 13.565 1.00 0.00 H new ATOM 858 N SER A 50 4.622 -7.408 12.106 1.00 0.00 N ATOM 859 CA SER A 50 3.893 -6.415 11.326 1.00 0.00 C ATOM 860 C SER A 50 2.440 -6.326 11.783 1.00 0.00 C ATOM 861 O SER A 50 1.865 -5.240 11.858 1.00 0.00 O ATOM 862 CB SER A 50 3.952 -6.761 9.837 1.00 0.00 C ATOM 863 OG SER A 50 2.996 -6.016 9.103 1.00 0.00 O ATOM 0 H SER A 50 4.874 -8.249 11.588 1.00 0.00 H new ATOM 0 HA SER A 50 4.365 -5.446 11.485 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.951 -6.556 9.452 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.770 -7.827 9.700 1.00 0.00 H new ATOM 0 HG SER A 50 3.054 -6.254 8.154 1.00 0.00 H new ATOM 869 N LYS A 51 1.851 -7.477 12.087 1.00 0.00 N ATOM 870 CA LYS A 51 0.465 -7.533 12.537 1.00 0.00 C ATOM 871 C LYS A 51 -0.472 -6.942 11.489 1.00 0.00 C ATOM 872 O LYS A 51 -1.565 -6.477 11.810 1.00 0.00 O ATOM 873 CB LYS A 51 0.307 -6.780 13.860 1.00 0.00 C ATOM 874 CG LYS A 51 1.153 -7.346 14.987 1.00 0.00 C ATOM 875 CD LYS A 51 0.803 -6.709 16.322 1.00 0.00 C ATOM 876 CE LYS A 51 -0.614 -7.058 16.750 1.00 0.00 C ATOM 877 NZ LYS A 51 -0.890 -6.635 18.151 1.00 0.00 N ATOM 0 H LYS A 51 2.312 -8.385 12.030 1.00 0.00 H new ATOM 0 HA LYS A 51 0.200 -8.580 12.687 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.573 -5.734 13.707 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.741 -6.802 14.158 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.005 -8.424 15.048 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.208 -7.180 14.769 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.507 -7.045 17.083 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.906 -5.626 16.248 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.325 -6.577 16.079 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.767 -8.133 16.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.866 -6.890 18.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.228 -7.113 18.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.769 -5.605 18.233 1.00 0.00 H new ATOM 891 N GLY A 52 -0.037 -6.965 10.232 1.00 0.00 N ATOM 892 CA GLY A 52 -0.850 -6.430 9.156 1.00 0.00 C ATOM 893 C GLY A 52 -0.737 -4.923 9.038 1.00 0.00 C ATOM 894 O GLY A 52 -0.785 -4.374 7.937 1.00 0.00 O ATOM 0 H GLY A 52 0.864 -7.345 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.548 -6.889 8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.892 -6.701 9.323 1.00 0.00 H new ATOM 898 N VAL A 53 -0.589 -4.252 10.175 1.00 0.00 N ATOM 899 CA VAL A 53 -0.469 -2.799 10.195 1.00 0.00 C ATOM 900 C VAL A 53 0.672 -2.329 9.301 1.00 0.00 C ATOM 901 O VAL A 53 1.845 -2.479 9.643 1.00 0.00 O ATOM 902 CB VAL A 53 -0.236 -2.274 11.625 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.500 -0.778 11.695 1.00 0.00 C ATOM 904 CG2 VAL A 53 -1.111 -3.026 12.617 1.00 0.00 C ATOM 0 H VAL A 53 -0.549 -4.691 11.095 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.410 -2.399 9.818 1.00 0.00 H new ATOM 0 HB VAL A 53 0.807 -2.446 11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.330 -0.426 12.712 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.173 -0.257 11.014 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.532 -0.577 11.409 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.934 -2.643 13.622 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.160 -2.887 12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.867 -4.088 12.585 1.00 0.00 H new ATOM 914 N ALA A 54 0.320 -1.759 8.153 1.00 0.00 N ATOM 915 CA ALA A 54 1.315 -1.264 7.209 1.00 0.00 C ATOM 916 C ALA A 54 0.882 0.066 6.602 1.00 0.00 C ATOM 917 O ALA A 54 -0.308 0.313 6.407 1.00 0.00 O ATOM 918 CB ALA A 54 1.560 -2.291 6.114 1.00 0.00 C ATOM 0 H ALA A 54 -0.647 -1.629 7.854 1.00 0.00 H new ATOM 0 HA ALA A 54 2.245 -1.100 7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.305 -1.908 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.922 -3.218 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.629 -2.484 5.581 1.00 0.00 H new ATOM 924 N PHE A 55 1.856 0.921 6.307 1.00 0.00 N ATOM 925 CA PHE A 55 1.575 2.228 5.723 1.00 0.00 C ATOM 926 C PHE A 55 1.973 2.263 4.251 1.00 0.00 C ATOM 927 O PHE A 55 3.031 1.760 3.870 1.00 0.00 O ATOM 928 CB PHE A 55 2.320 3.323 6.490 1.00 0.00 C ATOM 929 CG PHE A 55 1.659 3.704 7.784 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.191 2.730 8.652 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.504 5.036 8.131 1.00 0.00 C ATOM 932 CE1 PHE A 55 0.583 3.078 9.843 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.896 5.390 9.322 1.00 0.00 C ATOM 934 CZ PHE A 55 0.434 4.409 10.178 1.00 0.00 C ATOM 0 H PHE A 55 2.846 0.733 6.463 1.00 0.00 H new ATOM 0 HA PHE A 55 0.502 2.408 5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.336 2.985 6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.401 4.208 5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.303 1.687 8.394 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.862 5.807 7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.225 2.309 10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.783 6.432 9.582 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.043 4.683 11.108 1.00 0.00 H new ATOM 944 N ILE A 56 1.117 2.859 3.427 1.00 0.00 N ATOM 945 CA ILE A 56 1.378 2.960 1.997 1.00 0.00 C ATOM 946 C ILE A 56 1.489 4.416 1.560 1.00 0.00 C ATOM 947 O ILE A 56 0.578 5.214 1.783 1.00 0.00 O ATOM 948 CB ILE A 56 0.274 2.271 1.173 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.099 0.820 1.626 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.605 2.331 -0.311 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.325 -0.036 1.401 1.00 0.00 C ATOM 0 H ILE A 56 0.237 3.279 3.726 1.00 0.00 H new ATOM 0 HA ILE A 56 2.326 2.455 1.813 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.665 2.800 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.153 0.807 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.744 0.381 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.184 1.840 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.684 3.372 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.553 1.824 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.128 -1.051 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.566 -0.054 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.166 0.379 1.957 1.00 0.00 H new ATOM 963 N LEU A 57 2.611 4.757 0.935 1.00 0.00 N ATOM 964 CA LEU A 57 2.842 6.118 0.464 1.00 0.00 C ATOM 965 C LEU A 57 2.424 6.267 -0.996 1.00 0.00 C ATOM 966 O LEU A 57 2.927 5.563 -1.871 1.00 0.00 O ATOM 967 CB LEU A 57 4.316 6.492 0.625 1.00 0.00 C ATOM 968 CG LEU A 57 4.632 7.988 0.636 1.00 0.00 C ATOM 969 CD1 LEU A 57 6.053 8.230 1.122 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.431 8.586 -0.748 1.00 0.00 C ATOM 0 H LEU A 57 3.375 4.109 0.743 1.00 0.00 H new ATOM 0 HA LEU A 57 2.235 6.793 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.681 6.057 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.878 6.028 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 57 3.945 8.479 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.260 9.300 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.163 7.838 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.755 7.725 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.661 9.651 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.093 8.090 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.395 8.446 -1.058 1.00 0.00 H new ATOM 982 N PHE A 58 1.503 7.191 -1.251 1.00 0.00 N ATOM 983 CA PHE A 58 1.018 7.434 -2.604 1.00 0.00 C ATOM 984 C PHE A 58 1.641 8.699 -3.186 1.00 0.00 C ATOM 985 O PHE A 58 2.409 9.392 -2.516 1.00 0.00 O ATOM 986 CB PHE A 58 -0.507 7.554 -2.609 1.00 0.00 C ATOM 987 CG PHE A 58 -1.212 6.239 -2.438 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.324 5.655 -1.186 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.765 5.587 -3.529 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.972 4.445 -1.027 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.414 4.377 -3.375 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.519 3.806 -2.122 1.00 0.00 C ATOM 0 H PHE A 58 1.078 7.784 -0.538 1.00 0.00 H new ATOM 0 HA PHE A 58 1.310 6.587 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.813 8.228 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.825 8.008 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.900 6.151 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.688 6.030 -4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.051 3.999 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.839 3.878 -4.234 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.028 2.861 -1.999 1.00 0.00 H new ATOM 1002 N LEU A 59 1.306 8.996 -4.437 1.00 0.00 N ATOM 1003 CA LEU A 59 1.832 10.178 -5.110 1.00 0.00 C ATOM 1004 C LEU A 59 0.896 11.369 -4.931 1.00 0.00 C ATOM 1005 O LEU A 59 1.333 12.470 -4.597 1.00 0.00 O ATOM 1006 CB LEU A 59 2.034 9.893 -6.600 1.00 0.00 C ATOM 1007 CG LEU A 59 2.861 10.920 -7.374 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.284 10.972 -6.839 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.860 10.595 -8.860 1.00 0.00 C ATOM 0 H LEU A 59 0.672 8.434 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 59 2.793 10.424 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.513 8.919 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.054 9.816 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 59 2.407 11.901 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.858 11.708 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.267 11.253 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.749 9.992 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.453 11.336 -9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.289 9.605 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.837 10.610 -9.235 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.394 11.139 -5.155 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.393 12.192 -5.015 1.00 0.00 C ATOM 1023 C ASP A 60 -2.408 11.838 -3.933 1.00 0.00 C ATOM 1024 O ASP A 60 -2.913 10.716 -3.884 1.00 0.00 O ATOM 1025 CB ASP A 60 -2.108 12.426 -6.347 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.379 13.237 -6.186 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.566 13.840 -5.109 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.187 13.268 -7.138 1.00 0.00 O ATOM 0 H ASP A 60 -0.772 10.233 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.881 13.108 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.435 12.942 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.349 11.465 -6.801 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.703 12.801 -3.067 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.658 12.592 -1.985 1.00 0.00 C ATOM 1035 C LYS A 61 -4.937 11.944 -2.506 1.00 0.00 C ATOM 1036 O LYS A 61 -5.431 10.974 -1.931 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.989 13.923 -1.305 1.00 0.00 C ATOM 1038 CG LYS A 61 -5.117 13.825 -0.293 1.00 0.00 C ATOM 1039 CD LYS A 61 -5.806 15.164 -0.095 1.00 0.00 C ATOM 1040 CE LYS A 61 -5.033 16.052 0.868 1.00 0.00 C ATOM 1041 NZ LYS A 61 -5.902 17.094 1.481 1.00 0.00 N ATOM 0 H LYS A 61 -2.294 13.735 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.202 11.922 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.096 14.298 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.259 14.654 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.845 13.086 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.722 13.473 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.906 15.668 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.814 15.003 0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.592 15.438 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.210 16.531 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.338 17.678 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.303 17.696 0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.673 16.637 2.008 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.466 12.484 -3.598 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.686 11.957 -4.198 1.00 0.00 C ATOM 1057 C ASP A 62 -6.560 10.459 -4.458 1.00 0.00 C ATOM 1058 O ASP A 62 -7.478 9.690 -4.176 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.997 12.690 -5.503 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.390 14.136 -5.276 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.584 14.392 -5.017 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -6.503 15.012 -5.358 1.00 0.00 O ATOM 0 H ASP A 62 -5.069 13.287 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.505 12.118 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.124 12.652 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.805 12.174 -6.022 1.00 0.00 H new ATOM 1067 N SER A 63 -5.416 10.053 -5.000 1.00 0.00 N ATOM 1068 CA SER A 63 -5.171 8.648 -5.304 1.00 0.00 C ATOM 1069 C SER A 63 -5.309 7.789 -4.051 1.00 0.00 C ATOM 1070 O SER A 63 -5.869 6.694 -4.094 1.00 0.00 O ATOM 1071 CB SER A 63 -3.776 8.470 -5.906 1.00 0.00 C ATOM 1072 OG SER A 63 -3.795 8.680 -7.308 1.00 0.00 O ATOM 0 H SER A 63 -4.645 10.677 -5.237 1.00 0.00 H new ATOM 0 HA SER A 63 -5.917 8.324 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.083 9.170 -5.440 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.409 7.467 -5.690 1.00 0.00 H new ATOM 0 HG SER A 63 -2.891 8.562 -7.669 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.793 8.294 -2.935 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.860 7.575 -1.668 1.00 0.00 C ATOM 1080 C ALA A 64 -6.302 7.440 -1.190 1.00 0.00 C ATOM 1081 O ALA A 64 -6.754 6.345 -0.857 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.017 8.280 -0.617 1.00 0.00 C ATOM 0 H ALA A 64 -4.324 9.198 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.461 6.573 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.076 7.733 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.980 8.320 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.390 9.294 -0.471 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.017 8.559 -1.157 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.407 8.565 -0.717 1.00 0.00 C ATOM 1090 C GLN A 65 -9.197 7.450 -1.396 1.00 0.00 C ATOM 1091 O GLN A 65 -9.891 6.678 -0.736 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.054 9.918 -1.015 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.546 11.044 -0.128 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.264 11.103 1.206 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -10.057 10.222 1.538 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -8.988 12.146 1.981 1.00 0.00 N ATOM 0 H GLN A 65 -6.657 9.474 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.421 8.394 0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.871 10.177 -2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.134 9.830 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.478 10.913 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.671 11.995 -0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.324 12.854 1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.440 12.239 2.891 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.086 7.374 -2.718 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.791 6.354 -3.486 1.00 0.00 C ATOM 1107 C ASN A 66 -9.589 4.973 -2.871 1.00 0.00 C ATOM 1108 O ASN A 66 -10.544 4.332 -2.431 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.307 6.354 -4.938 1.00 0.00 C ATOM 1110 CG ASN A 66 -9.949 5.254 -5.761 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.156 5.027 -5.680 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.142 4.565 -6.559 1.00 0.00 N ATOM 0 H ASN A 66 -8.515 8.006 -3.280 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.855 6.589 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.528 7.320 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.224 6.233 -4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.517 3.813 -7.137 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.147 4.788 -6.594 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.340 4.521 -2.843 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.012 3.215 -2.282 1.00 0.00 C ATOM 1121 C CYS A 67 -8.568 3.075 -0.868 1.00 0.00 C ATOM 1122 O CYS A 67 -9.118 2.035 -0.505 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.497 3.008 -2.270 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.975 1.412 -1.601 1.00 0.00 S ATOM 0 H CYS A 67 -7.538 5.039 -3.202 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.471 2.452 -2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.120 3.104 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.037 3.803 -1.684 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.978 0.522 -2.549 1.00 0.00 H new ATOM 1130 N THR A 68 -8.419 4.130 -0.073 1.00 0.00 N ATOM 1131 CA THR A 68 -8.904 4.125 1.302 1.00 0.00 C ATOM 1132 C THR A 68 -10.405 3.866 1.355 1.00 0.00 C ATOM 1133 O THR A 68 -10.962 3.603 2.421 1.00 0.00 O ATOM 1134 CB THR A 68 -8.599 5.458 2.010 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.380 6.014 1.504 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.484 5.258 3.514 1.00 0.00 C ATOM 0 H THR A 68 -7.966 4.999 -0.358 1.00 0.00 H new ATOM 0 HA THR A 68 -8.381 3.320 1.818 1.00 0.00 H new ATOM 0 HB THR A 68 -9.422 6.145 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.551 6.445 0.641 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.268 6.213 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.423 4.862 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.678 4.555 3.727 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.055 3.942 0.198 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.493 3.717 0.113 1.00 0.00 C ATOM 1146 C ARG A 69 -12.799 2.448 -0.678 1.00 0.00 C ATOM 1147 O ARG A 69 -13.947 2.011 -0.749 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.181 4.916 -0.540 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.655 4.687 -0.835 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.321 5.949 -1.360 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.741 5.746 -1.633 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.494 6.615 -2.298 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -16.964 7.742 -2.755 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.778 6.359 -2.507 1.00 0.00 N ATOM 0 H ARG A 69 -10.608 4.158 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.876 3.595 1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.080 5.782 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.666 5.157 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.760 3.887 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.162 4.357 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.203 6.751 -0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.819 6.271 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.179 4.889 -1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.977 7.942 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.544 8.408 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.189 5.494 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.355 7.027 -3.018 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.763 1.863 -1.270 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.921 0.644 -2.055 1.00 0.00 C ATOM 1170 C ALA A 70 -11.708 -0.595 -1.192 1.00 0.00 C ATOM 1171 O ALA A 70 -12.512 -1.527 -1.220 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.954 0.645 -3.230 1.00 0.00 C ATOM 0 H ALA A 70 -10.806 2.213 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.941 0.616 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.082 -0.270 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.155 1.507 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.931 0.699 -2.859 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.621 -0.599 -0.429 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.304 -1.725 0.442 1.00 0.00 C ATOM 1180 C ILE A 71 -10.989 -1.582 1.797 1.00 0.00 C ATOM 1181 O ILE A 71 -11.330 -2.574 2.438 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.785 -1.858 0.659 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.247 -0.643 1.419 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.071 -2.013 -0.676 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.816 -0.804 1.880 1.00 0.00 C ATOM 0 H ILE A 71 -9.945 0.164 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.672 -2.622 -0.056 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.595 -2.750 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.317 0.236 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.881 -0.457 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.998 -2.106 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.437 -2.906 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.266 -1.138 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.501 0.095 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.743 -1.663 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.171 -0.959 1.016 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.188 -0.339 2.225 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.834 -0.066 3.503 1.00 0.00 C ATOM 1199 C ASN A 72 -13.074 -0.937 3.684 1.00 0.00 C ATOM 1200 O ASN A 72 -13.929 -1.006 2.802 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.217 1.412 3.599 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.418 1.641 4.496 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.533 1.228 4.177 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -13.196 2.304 5.625 1.00 0.00 N ATOM 0 H ASN A 72 -10.911 0.494 1.706 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.126 -0.304 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.369 1.980 3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.434 1.794 2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.966 2.489 6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.255 2.628 5.850 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.163 -1.599 4.832 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.298 -2.466 5.129 1.00 0.00 C ATOM 1213 C ASN A 73 -14.407 -3.590 4.103 1.00 0.00 C ATOM 1214 O ASN A 73 -15.505 -3.969 3.695 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.594 -1.653 5.151 1.00 0.00 C ATOM 1216 CG ASN A 73 -15.750 -0.848 6.427 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.193 -1.199 7.468 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -16.510 0.238 6.352 1.00 0.00 N ATOM 0 H ASN A 73 -12.463 -1.552 5.572 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.138 -2.910 6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.611 -0.979 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.444 -2.327 5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.652 0.819 7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.952 0.491 5.468 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.261 -4.119 3.689 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.225 -5.201 2.713 1.00 0.00 C ATOM 1227 C LYS A 74 -12.360 -6.355 3.210 1.00 0.00 C ATOM 1228 O LYS A 74 -11.420 -6.151 3.977 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.690 -4.689 1.373 1.00 0.00 C ATOM 1230 CG LYS A 74 -12.982 -5.617 0.207 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.449 -5.572 -0.188 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.817 -6.734 -1.099 1.00 0.00 C ATOM 1233 NZ LYS A 74 -15.086 -7.979 -0.329 1.00 0.00 N ATOM 0 H LYS A 74 -12.343 -3.815 4.015 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.243 -5.566 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.126 -3.712 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.612 -4.547 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.366 -5.335 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.708 -6.637 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.069 -5.600 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.662 -4.630 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.698 -6.472 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.006 -6.912 -1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.333 -8.747 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.237 -8.244 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.876 -7.817 0.327 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.685 -7.565 2.767 1.00 0.00 N ATOM 1248 CA GLN A 75 -11.936 -8.751 3.167 1.00 0.00 C ATOM 1249 C GLN A 75 -10.946 -9.162 2.082 1.00 0.00 C ATOM 1250 O GLN A 75 -11.340 -9.543 0.979 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.892 -9.907 3.466 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.991 -9.548 4.452 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.104 -10.577 4.487 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -16.161 -10.387 3.885 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -14.871 -11.677 5.193 1.00 0.00 N ATOM 0 H GLN A 75 -13.461 -7.750 2.132 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.376 -8.508 4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.347 -10.242 2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.321 -10.747 3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.561 -9.449 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.408 -8.576 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.981 -11.794 5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.582 -12.406 5.252 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.659 -9.081 2.401 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.611 -9.445 1.453 1.00 0.00 C ATOM 1266 C LEU A 76 -7.737 -10.563 2.010 1.00 0.00 C ATOM 1267 O LEU A 76 -7.566 -10.686 3.223 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.750 -8.224 1.123 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.398 -7.168 0.226 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.344 -6.292 1.032 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.333 -6.321 -0.455 1.00 0.00 C ATOM 0 H LEU A 76 -9.316 -8.767 3.309 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.088 -9.803 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.457 -7.747 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.835 -8.569 0.641 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.976 -7.678 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.796 -5.546 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.126 -6.910 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.789 -5.790 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.812 -5.575 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.728 -5.820 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.695 -6.960 -1.065 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.183 -11.375 1.116 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.325 -12.483 1.518 1.00 0.00 C ATOM 1285 C PHE A 77 -6.885 -13.186 2.751 1.00 0.00 C ATOM 1286 O PHE A 77 -6.138 -13.737 3.559 1.00 0.00 O ATOM 1287 CB PHE A 77 -4.908 -11.981 1.803 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.126 -11.657 0.563 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.315 -10.454 -0.097 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.200 -12.556 0.057 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -3.597 -10.154 -1.240 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.479 -12.261 -1.085 1.00 0.00 C ATOM 1293 CZ PHE A 77 -2.677 -11.058 -1.733 1.00 0.00 C ATOM 0 H PHE A 77 -7.313 -11.286 0.108 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.291 -13.199 0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.966 -11.091 2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.371 -12.738 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.031 -9.742 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.040 -13.498 0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.756 -9.214 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.762 -12.971 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.113 -10.824 -2.624 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.207 -13.161 2.889 1.00 0.00 N ATOM 1304 CA GLY A 78 -8.846 -13.798 4.026 1.00 0.00 C ATOM 1305 C GLY A 78 -8.541 -13.093 5.333 1.00 0.00 C ATOM 1306 O GLY A 78 -8.233 -13.737 6.336 1.00 0.00 O ATOM 0 H GLY A 78 -8.847 -12.711 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.925 -13.816 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.516 -14.835 4.090 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.625 -11.767 5.322 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.353 -10.974 6.514 1.00 0.00 C ATOM 1312 C ARG A 79 -8.907 -9.560 6.365 1.00 0.00 C ATOM 1313 O ARG A 79 -8.356 -8.740 5.631 1.00 0.00 O ATOM 1314 CB ARG A 79 -6.848 -10.917 6.782 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.002 -10.948 5.519 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.517 -10.966 5.843 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.025 -12.320 6.082 1.00 0.00 N ATOM 1318 CZ ARG A 79 -4.051 -12.913 7.270 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -4.543 -12.274 8.322 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.584 -14.147 7.407 1.00 0.00 N ATOM 0 H ARG A 79 -8.879 -11.219 4.500 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.848 -11.453 7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.621 -10.008 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.569 -11.758 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.258 -11.829 4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.231 -10.077 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.961 -10.518 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.331 -10.352 6.724 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.640 -12.839 5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.903 -11.325 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.562 -12.731 9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.204 -14.641 6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.604 -14.602 8.320 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.001 -9.282 7.067 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.630 -7.967 7.013 1.00 0.00 C ATOM 1336 C VAL A 80 -9.587 -6.856 7.071 1.00 0.00 C ATOM 1337 O VAL A 80 -8.977 -6.617 8.113 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.631 -7.777 8.168 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.293 -6.410 8.081 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.674 -8.884 8.156 1.00 0.00 C ATOM 0 H VAL A 80 -10.470 -9.949 7.680 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.165 -7.910 6.065 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.086 -7.832 9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -12.997 -6.294 8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.532 -5.632 8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.825 -6.323 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.373 -8.734 8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.216 -8.863 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.181 -9.850 8.270 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.388 -6.181 5.944 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.420 -5.094 5.867 1.00 0.00 C ATOM 1352 C ILE A 81 -9.083 -3.747 6.134 1.00 0.00 C ATOM 1353 O ILE A 81 -10.135 -3.438 5.573 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.730 -5.050 4.491 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -6.943 -6.340 4.250 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.815 -3.839 4.395 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.883 -6.209 3.179 1.00 0.00 C ATOM 0 H ILE A 81 -9.884 -6.367 5.072 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.670 -5.286 6.634 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.495 -4.964 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.470 -6.647 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.637 -7.132 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.335 -3.822 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.400 -2.929 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.053 -3.896 5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.365 -7.161 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.352 -5.932 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.167 -5.440 3.468 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.461 -2.946 6.992 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.987 -1.630 7.331 1.00 0.00 C ATOM 1371 C LYS A 82 -8.133 -0.526 6.716 1.00 0.00 C ATOM 1372 O LYS A 82 -6.904 -0.582 6.761 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.045 -1.457 8.851 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.288 -2.059 9.485 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.238 -3.577 9.476 1.00 0.00 C ATOM 1376 CE LYS A 82 -9.390 -4.114 10.619 1.00 0.00 C ATOM 1377 NZ LYS A 82 -9.958 -3.754 11.947 1.00 0.00 N ATOM 0 H LYS A 82 -7.590 -3.186 7.466 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.995 -1.554 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.162 -1.917 9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.004 -0.394 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.383 -1.703 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.173 -1.720 8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.249 -3.976 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.831 -3.923 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.316 -5.198 10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.378 -3.718 10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.629 -4.434 12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.646 -2.797 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.997 -3.778 11.898 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.792 0.476 6.143 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.092 1.594 5.522 1.00 0.00 C ATOM 1393 C ALA A 83 -8.554 2.924 6.107 1.00 0.00 C ATOM 1394 O ALA A 83 -9.744 3.127 6.348 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.302 1.577 4.015 1.00 0.00 C ATOM 0 H ALA A 83 -9.809 0.536 6.096 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.028 1.485 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.774 2.417 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.916 0.644 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.367 1.658 3.795 1.00 0.00 H new ATOM 1401 N SER A 84 -7.605 3.827 6.335 1.00 0.00 N ATOM 1402 CA SER A 84 -7.915 5.136 6.897 1.00 0.00 C ATOM 1403 C SER A 84 -6.790 6.128 6.616 1.00 0.00 C ATOM 1404 O SER A 84 -5.614 5.762 6.604 1.00 0.00 O ATOM 1405 CB SER A 84 -8.148 5.026 8.405 1.00 0.00 C ATOM 1406 OG SER A 84 -9.234 4.162 8.691 1.00 0.00 O ATOM 0 H SER A 84 -6.615 3.676 6.139 1.00 0.00 H new ATOM 0 HA SER A 84 -8.826 5.501 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.245 4.654 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.347 6.015 8.819 1.00 0.00 H new ATOM 0 HG SER A 84 -9.747 3.999 7.872 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.160 7.384 6.390 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.183 8.429 6.110 1.00 0.00 C ATOM 1414 C ILE A 85 -5.235 8.625 7.289 1.00 0.00 C ATOM 1415 O ILE A 85 -5.644 9.077 8.358 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.869 9.770 5.789 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.759 9.628 4.553 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.828 10.859 5.576 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -7.053 9.012 3.366 1.00 0.00 C ATOM 0 H ILE A 85 -8.129 7.703 6.395 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.614 8.104 5.239 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.495 10.053 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.625 9.017 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.135 10.612 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.328 11.801 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.231 10.973 6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.179 10.584 4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.745 8.943 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.203 9.634 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.701 8.015 3.629 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.967 8.285 7.085 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.960 8.427 8.129 1.00 0.00 C ATOM 1433 C ALA A 86 -2.382 9.838 8.145 1.00 0.00 C ATOM 1434 O ALA A 86 -1.843 10.310 7.144 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.851 7.403 7.936 1.00 0.00 C ATOM 0 H ALA A 86 -3.612 7.909 6.206 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.441 8.248 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.106 7.521 8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.271 6.398 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.380 7.555 6.965 1.00 0.00 H new ATOM 1441 N ILE A 87 -2.499 10.507 9.288 1.00 0.00 N ATOM 1442 CA ILE A 87 -1.987 11.864 9.433 1.00 0.00 C ATOM 1443 C ILE A 87 -1.331 12.061 10.796 1.00 0.00 C ATOM 1444 O ILE A 87 -1.330 11.158 11.633 1.00 0.00 O ATOM 1445 CB ILE A 87 -3.106 12.909 9.259 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -4.286 12.582 10.176 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -3.556 12.966 7.807 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -5.194 13.764 10.436 1.00 0.00 C ATOM 0 H ILE A 87 -2.943 10.131 10.126 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.242 12.006 8.650 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.715 13.888 9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.870 11.777 9.730 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.905 12.211 11.127 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.347 13.709 7.700 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.712 13.241 7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.932 11.989 7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.008 13.460 11.093 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.624 14.563 10.910 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.604 14.122 9.492 1.00 0.00 H new TER 1460 ILE A 87