USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.116! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 120:sc= 0.713 USER MOD Single : A 13 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.21) USER MOD Single : A 15 LYS NZ :NH3+ 145:sc= -0.318 (180deg=-0.686) USER MOD Single : A 16 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-3.7!) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0803) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -168:sc= -0.822 USER MOD Single : A 28 MET CE :methyl -131:sc= -0.221 (180deg=-1.6) USER MOD Single : A 36 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.0087) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -158:sc= -7.3! (180deg=-9.77!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 24:sc= 0.505 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 65 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.63) USER MOD Single : A 70 THR OG1 : rot -170:sc= 0.72 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -179:sc= 0 (180deg=-0.00136) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.171 X(o=0.17,f=-0.0075) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -15:sc= -0.0626 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 4.082 14.496 29.107 1.00 0.00 N ATOM 34 CA LYS A 3 4.506 14.508 30.500 1.00 0.00 C ATOM 35 C LYS A 3 5.892 15.129 30.625 1.00 0.00 C ATOM 36 O LYS A 3 6.906 14.447 30.475 1.00 0.00 O ATOM 37 CB LYS A 3 4.520 13.086 31.048 1.00 0.00 C ATOM 38 CG LYS A 3 5.162 12.114 30.061 1.00 0.00 C ATOM 39 CD LYS A 3 6.359 11.404 30.684 1.00 0.00 C ATOM 40 CE LYS A 3 6.286 9.897 30.458 1.00 0.00 C ATOM 41 NZ LYS A 3 7.436 9.197 31.096 1.00 0.00 N ATOM 0 HA LYS A 3 3.802 15.107 31.078 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.067 13.063 31.991 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.500 12.767 31.263 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.425 11.377 29.741 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.480 12.654 29.169 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.281 11.795 30.254 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.393 11.613 31.753 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.351 9.511 30.865 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.278 9.688 29.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.358 8.174 30.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.326 9.549 30.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.428 9.378 32.120 1.00 0.00 H new ATOM 55 N VAL A 4 5.927 16.429 30.897 1.00 0.00 N ATOM 56 CA VAL A 4 7.188 17.149 31.039 1.00 0.00 C ATOM 57 C VAL A 4 7.972 16.619 32.230 1.00 0.00 C ATOM 58 O VAL A 4 7.429 15.940 33.102 1.00 0.00 O ATOM 59 CB VAL A 4 6.922 18.652 31.191 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.789 18.902 32.184 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.177 19.419 31.612 1.00 0.00 C ATOM 0 H VAL A 4 5.096 17.007 31.024 1.00 0.00 H new ATOM 0 HA VAL A 4 7.786 16.991 30.141 1.00 0.00 H new ATOM 0 HB VAL A 4 6.623 19.025 30.211 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.617 19.974 32.277 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.880 18.418 31.828 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.061 18.493 33.157 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.941 20.479 31.707 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.532 19.039 32.570 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.954 19.287 30.859 1.00 0.00 H new ATOM 71 N THR A 5 9.254 16.945 32.250 1.00 0.00 N ATOM 72 CA THR A 5 10.145 16.519 33.324 1.00 0.00 C ATOM 73 C THR A 5 11.055 17.670 33.736 1.00 0.00 C ATOM 74 O THR A 5 11.596 18.380 32.888 1.00 0.00 O ATOM 75 CB THR A 5 10.982 15.329 32.864 1.00 0.00 C ATOM 76 OG1 THR A 5 11.783 15.699 31.752 1.00 0.00 O ATOM 77 CG2 THR A 5 10.087 14.149 32.494 1.00 0.00 C ATOM 0 H THR A 5 9.707 17.508 31.530 1.00 0.00 H new ATOM 0 HA THR A 5 9.546 16.219 34.184 1.00 0.00 H new ATOM 0 HB THR A 5 11.630 15.025 33.686 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.318 14.930 31.464 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.705 13.312 32.169 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.500 13.851 33.363 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.416 14.440 31.686 1.00 0.00 H new ATOM 85 N PHE A 6 11.219 17.852 35.042 1.00 0.00 N ATOM 86 CA PHE A 6 12.062 18.922 35.565 1.00 0.00 C ATOM 87 C PHE A 6 13.450 18.390 35.899 1.00 0.00 C ATOM 88 O PHE A 6 13.759 17.227 35.639 1.00 0.00 O ATOM 89 CB PHE A 6 11.422 19.528 36.810 1.00 0.00 C ATOM 90 CG PHE A 6 10.083 20.164 36.530 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.992 19.372 36.213 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.944 21.541 36.589 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.762 19.956 35.956 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.714 22.125 36.332 1.00 0.00 C ATOM 95 CZ PHE A 6 7.624 21.333 36.015 1.00 0.00 C ATOM 0 H PHE A 6 10.780 17.273 35.758 1.00 0.00 H new ATOM 0 HA PHE A 6 12.159 19.694 34.802 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.299 18.751 37.564 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.094 20.277 37.230 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.100 18.298 36.166 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.794 22.159 36.835 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.911 19.338 35.710 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.606 23.199 36.379 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.666 21.789 35.814 1.00 0.00 H new ATOM 105 N THR A 7 14.285 19.251 36.474 1.00 0.00 N ATOM 106 CA THR A 7 15.646 18.873 36.843 1.00 0.00 C ATOM 107 C THR A 7 16.258 19.930 37.753 1.00 0.00 C ATOM 108 O THR A 7 16.793 20.934 37.282 1.00 0.00 O ATOM 109 CB THR A 7 16.503 18.710 35.590 1.00 0.00 C ATOM 110 OG1 THR A 7 15.744 18.102 34.555 1.00 0.00 O ATOM 111 CG2 THR A 7 17.744 17.874 35.888 1.00 0.00 C ATOM 0 H THR A 7 14.042 20.217 36.695 1.00 0.00 H new ATOM 0 HA THR A 7 15.611 17.923 37.377 1.00 0.00 H new ATOM 0 HB THR A 7 16.824 19.699 35.263 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.251 17.336 34.917 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.340 17.771 34.981 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.338 18.366 36.658 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.442 16.887 36.238 1.00 0.00 H new ATOM 119 N VAL A 8 16.174 19.701 39.059 1.00 0.00 N ATOM 120 CA VAL A 8 16.718 20.636 40.038 1.00 0.00 C ATOM 121 C VAL A 8 18.163 20.982 39.702 1.00 0.00 C ATOM 122 O VAL A 8 19.086 20.240 40.041 1.00 0.00 O ATOM 123 CB VAL A 8 16.639 20.028 41.434 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.084 21.040 42.486 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.222 19.543 41.720 1.00 0.00 C ATOM 0 H VAL A 8 15.734 18.875 39.465 1.00 0.00 H new ATOM 0 HA VAL A 8 16.128 21.552 40.011 1.00 0.00 H new ATOM 0 HB VAL A 8 17.313 19.172 41.478 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.021 20.588 43.476 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.113 21.340 42.289 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.436 21.916 42.445 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.180 19.111 42.720 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.530 20.383 41.658 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.941 18.787 40.986 1.00 0.00 H new ATOM 135 N GLU A 9 18.352 22.113 39.031 1.00 0.00 N ATOM 136 CA GLU A 9 19.684 22.564 38.643 1.00 0.00 C ATOM 137 C GLU A 9 20.543 22.812 39.878 1.00 0.00 C ATOM 138 O GLU A 9 20.062 22.725 41.008 1.00 0.00 O ATOM 139 CB GLU A 9 19.579 23.843 37.817 1.00 0.00 C ATOM 140 CG GLU A 9 19.375 23.532 36.337 1.00 0.00 C ATOM 141 CD GLU A 9 20.176 24.503 35.480 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.321 25.675 35.886 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.658 24.090 34.404 1.00 0.00 O ATOM 0 H GLU A 9 17.597 22.736 38.744 1.00 0.00 H new ATOM 0 HA GLU A 9 20.155 21.786 38.042 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.748 24.447 38.182 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.484 24.436 37.945 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.686 22.509 36.127 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.317 23.602 36.086 1.00 0.00 H new ATOM 150 N LYS A 10 21.817 23.119 39.654 1.00 0.00 N ATOM 151 CA LYS A 10 22.748 23.380 40.747 1.00 0.00 C ATOM 152 C LYS A 10 22.374 24.670 41.467 1.00 0.00 C ATOM 153 O LYS A 10 21.617 25.487 40.943 1.00 0.00 O ATOM 154 CB LYS A 10 24.171 23.483 40.204 1.00 0.00 C ATOM 155 CG LYS A 10 25.187 22.941 41.205 1.00 0.00 C ATOM 156 CD LYS A 10 26.112 21.917 40.553 1.00 0.00 C ATOM 157 CE LYS A 10 27.032 21.268 41.583 1.00 0.00 C ATOM 158 NZ LYS A 10 28.257 20.712 40.941 1.00 0.00 N ATOM 0 H LYS A 10 22.229 23.193 38.724 1.00 0.00 H new ATOM 0 HA LYS A 10 22.693 22.555 41.457 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.247 22.928 39.269 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.401 24.524 39.976 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.778 23.763 41.609 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.665 22.481 42.044 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.517 21.149 40.058 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.710 22.403 39.782 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.315 22.004 42.336 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.497 20.472 42.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.862 20.278 41.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.986 19.993 40.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.779 21.477 40.468 1.00 0.00 H new ATOM 172 N GLY A 11 22.912 24.848 42.669 1.00 0.00 N ATOM 173 CA GLY A 11 22.639 26.040 43.464 1.00 0.00 C ATOM 174 C GLY A 11 21.235 25.989 44.053 1.00 0.00 C ATOM 175 O GLY A 11 20.633 27.024 44.338 1.00 0.00 O ATOM 0 H GLY A 11 23.541 24.180 43.115 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.372 26.123 44.267 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.745 26.929 42.842 1.00 0.00 H new ATOM 179 N SER A 12 20.716 24.778 44.233 1.00 0.00 N ATOM 180 CA SER A 12 19.380 24.593 44.789 1.00 0.00 C ATOM 181 C SER A 12 19.463 24.262 46.273 1.00 0.00 C ATOM 182 O SER A 12 20.091 23.279 46.666 1.00 0.00 O ATOM 183 CB SER A 12 18.657 23.474 44.047 1.00 0.00 C ATOM 184 OG SER A 12 17.579 23.995 43.285 1.00 0.00 O ATOM 0 H SER A 12 21.200 23.911 44.002 1.00 0.00 H new ATOM 0 HA SER A 12 18.821 25.521 44.669 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.356 22.955 43.391 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.284 22.739 44.760 1.00 0.00 H new ATOM 0 HG SER A 12 17.719 23.789 42.337 1.00 0.00 H new ATOM 190 N ASN A 13 18.824 25.088 47.094 1.00 0.00 N ATOM 191 CA ASN A 13 18.823 24.886 48.538 1.00 0.00 C ATOM 192 C ASN A 13 17.964 25.942 49.222 1.00 0.00 C ATOM 193 O ASN A 13 17.312 26.751 48.561 1.00 0.00 O ATOM 194 CB ASN A 13 20.251 24.944 49.075 1.00 0.00 C ATOM 195 CG ASN A 13 20.998 26.126 48.470 1.00 0.00 C ATOM 196 OD1 ASN A 13 21.762 25.969 47.517 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.780 27.313 49.025 1.00 0.00 N ATOM 0 H ASN A 13 18.299 25.905 46.783 1.00 0.00 H new ATOM 0 HA ASN A 13 18.403 23.903 48.752 1.00 0.00 H new ATOM 0 HB2 ASN A 13 20.235 25.033 50.161 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.773 24.017 48.839 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.254 28.140 48.663 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.138 27.397 49.813 1.00 0.00 H new ATOM 204 N GLU A 14 17.965 25.927 50.552 1.00 0.00 N ATOM 205 CA GLU A 14 17.189 26.874 51.341 1.00 0.00 C ATOM 206 C GLU A 14 17.392 28.294 50.835 1.00 0.00 C ATOM 207 O GLU A 14 18.504 28.820 50.843 1.00 0.00 O ATOM 208 CB GLU A 14 17.595 26.784 52.808 1.00 0.00 C ATOM 209 CG GLU A 14 17.330 25.390 53.368 1.00 0.00 C ATOM 210 CD GLU A 14 16.765 25.486 54.779 1.00 0.00 C ATOM 211 OE1 GLU A 14 15.753 26.194 54.969 1.00 0.00 O ATOM 212 OE2 GLU A 14 17.333 24.851 55.692 1.00 0.00 O ATOM 0 H GLU A 14 18.501 25.261 51.109 1.00 0.00 H new ATOM 0 HA GLU A 14 16.134 26.620 51.242 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.653 27.025 52.911 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.042 27.523 53.387 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.629 24.859 52.724 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.255 24.813 53.378 1.00 0.00 H new ATOM 219 N LYS A 15 16.298 28.907 50.402 1.00 0.00 N ATOM 220 CA LYS A 15 16.313 30.278 49.887 1.00 0.00 C ATOM 221 C LYS A 15 16.802 30.308 48.443 1.00 0.00 C ATOM 222 O LYS A 15 17.304 31.328 47.971 1.00 0.00 O ATOM 223 CB LYS A 15 17.203 31.169 50.756 1.00 0.00 C ATOM 224 CG LYS A 15 16.866 32.646 50.564 1.00 0.00 C ATOM 225 CD LYS A 15 15.445 32.958 51.028 1.00 0.00 C ATOM 226 CE LYS A 15 15.198 32.450 52.447 1.00 0.00 C ATOM 227 NZ LYS A 15 16.309 32.835 53.363 1.00 0.00 N ATOM 0 H LYS A 15 15.375 28.473 50.396 1.00 0.00 H new ATOM 0 HA LYS A 15 15.293 30.660 49.918 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.078 30.899 51.805 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.250 30.997 50.505 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.575 33.258 51.121 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.974 32.912 49.512 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.277 34.034 50.991 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.729 32.499 50.346 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.258 32.855 52.822 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.094 31.365 52.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.926 33.035 54.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.994 32.055 53.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.784 33.684 52.995 1.00 0.00 H new ATOM 241 N HIS A 16 16.647 29.189 47.741 1.00 0.00 N ATOM 242 CA HIS A 16 17.070 29.094 46.347 1.00 0.00 C ATOM 243 C HIS A 16 16.641 27.758 45.753 1.00 0.00 C ATOM 244 O HIS A 16 17.149 26.706 46.136 1.00 0.00 O ATOM 245 CB HIS A 16 18.585 29.249 46.251 1.00 0.00 C ATOM 246 CG HIS A 16 19.007 30.656 45.957 1.00 0.00 C ATOM 247 ND1 HIS A 16 19.603 31.473 46.882 1.00 0.00 N ATOM 248 CD2 HIS A 16 18.925 31.409 44.828 1.00 0.00 C ATOM 249 CE1 HIS A 16 19.874 32.650 46.367 1.00 0.00 C ATOM 250 NE2 HIS A 16 19.471 32.648 45.107 1.00 0.00 N ATOM 0 H HIS A 16 16.232 28.335 48.114 1.00 0.00 H new ATOM 0 HA HIS A 16 16.595 29.895 45.781 1.00 0.00 H new ATOM 0 HB2 HIS A 16 19.039 28.927 47.188 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.964 28.590 45.470 1.00 0.00 H new ATOM 0 HD2 HIS A 16 18.508 31.095 43.882 1.00 0.00 H new ATOM 0 HE1 HIS A 16 20.344 33.475 46.882 1.00 0.00 H new ATOM 0 HE2 HIS A 16 19.550 33.427 44.453 1.00 0.00 H new ATOM 258 N LEU A 17 15.699 27.807 44.816 1.00 0.00 N ATOM 259 CA LEU A 17 15.196 26.598 44.168 1.00 0.00 C ATOM 260 C LEU A 17 15.239 26.748 42.652 1.00 0.00 C ATOM 261 O LEU A 17 14.372 27.389 42.058 1.00 0.00 O ATOM 262 CB LEU A 17 13.765 26.325 44.623 1.00 0.00 C ATOM 263 CG LEU A 17 13.458 24.830 44.630 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.536 24.259 43.217 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.418 24.092 45.558 1.00 0.00 C ATOM 0 H LEU A 17 15.268 28.671 44.488 1.00 0.00 H new ATOM 0 HA LEU A 17 15.831 25.759 44.452 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.615 26.733 45.623 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.067 26.838 43.961 1.00 0.00 H new ATOM 0 HG LEU A 17 12.443 24.690 45.001 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.314 23.192 43.243 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.811 24.765 42.580 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.539 24.411 42.818 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.185 23.027 45.551 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.442 24.241 45.216 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.314 24.479 46.572 1.00 0.00 H new ATOM 277 N ALA A 18 16.250 26.150 42.030 1.00 0.00 N ATOM 278 CA ALA A 18 16.405 26.214 40.580 1.00 0.00 C ATOM 279 C ALA A 18 15.846 24.952 39.934 1.00 0.00 C ATOM 280 O ALA A 18 15.806 23.892 40.558 1.00 0.00 O ATOM 281 CB ALA A 18 17.878 26.374 40.219 1.00 0.00 C ATOM 0 H ALA A 18 16.975 25.615 42.508 1.00 0.00 H new ATOM 0 HA ALA A 18 15.851 27.075 40.206 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.984 26.421 39.135 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.263 27.293 40.661 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.441 25.523 40.602 1.00 0.00 H new ATOM 287 N VAL A 19 15.409 25.072 38.684 1.00 0.00 N ATOM 288 CA VAL A 19 14.845 23.933 37.961 1.00 0.00 C ATOM 289 C VAL A 19 15.093 24.058 36.464 1.00 0.00 C ATOM 290 O VAL A 19 14.882 25.117 35.876 1.00 0.00 O ATOM 291 CB VAL A 19 13.347 23.858 38.212 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.059 23.522 39.673 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.685 25.175 37.817 1.00 0.00 C ATOM 0 H VAL A 19 15.433 25.941 38.151 1.00 0.00 H new ATOM 0 HA VAL A 19 15.332 23.027 38.322 1.00 0.00 H new ATOM 0 HB VAL A 19 12.929 23.060 37.598 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.981 23.474 39.830 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.505 22.559 39.920 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.484 24.294 40.315 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.612 25.112 38.000 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.107 25.987 38.409 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.862 25.368 36.759 1.00 0.00 H new ATOM 303 N LEU A 20 15.521 22.963 35.847 1.00 0.00 N ATOM 304 CA LEU A 20 15.777 22.947 34.411 1.00 0.00 C ATOM 305 C LEU A 20 14.491 22.623 33.659 1.00 0.00 C ATOM 306 O LEU A 20 14.321 21.518 33.143 1.00 0.00 O ATOM 307 CB LEU A 20 16.858 21.920 34.082 1.00 0.00 C ATOM 308 CG LEU A 20 17.942 22.529 33.198 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.027 21.501 32.896 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.339 23.068 31.903 1.00 0.00 C ATOM 0 H LEU A 20 15.698 22.075 36.317 1.00 0.00 H new ATOM 0 HA LEU A 20 16.127 23.931 34.101 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.303 21.548 35.005 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.410 21.065 33.576 1.00 0.00 H new ATOM 0 HG LEU A 20 18.397 23.360 33.737 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.791 21.954 32.264 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.479 21.165 33.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.587 20.649 32.379 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.128 23.498 31.286 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.856 22.255 31.360 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.602 23.836 32.137 1.00 0.00 H new ATOM 322 N VAL A 21 13.581 23.592 33.611 1.00 0.00 N ATOM 323 CA VAL A 21 12.300 23.414 32.934 1.00 0.00 C ATOM 324 C VAL A 21 12.490 23.339 31.425 1.00 0.00 C ATOM 325 O VAL A 21 12.533 24.363 30.743 1.00 0.00 O ATOM 326 CB VAL A 21 11.365 24.568 33.283 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.002 24.369 32.627 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.219 24.696 34.796 1.00 0.00 C ATOM 0 H VAL A 21 13.708 24.511 34.034 1.00 0.00 H new ATOM 0 HA VAL A 21 11.859 22.476 33.272 1.00 0.00 H new ATOM 0 HB VAL A 21 11.798 25.492 32.900 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.348 25.201 32.887 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.122 24.326 31.544 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.561 23.437 32.980 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.549 25.524 35.028 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.808 23.772 35.201 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.196 24.884 35.241 1.00 0.00 H new ATOM 338 N LYS A 22 12.595 22.118 30.910 1.00 0.00 N ATOM 339 CA LYS A 22 12.774 21.895 29.479 1.00 0.00 C ATOM 340 C LYS A 22 12.981 20.411 29.202 1.00 0.00 C ATOM 341 O LYS A 22 13.381 19.656 30.087 1.00 0.00 O ATOM 342 CB LYS A 22 13.970 22.692 28.965 1.00 0.00 C ATOM 343 CG LYS A 22 15.229 22.383 29.768 1.00 0.00 C ATOM 344 CD LYS A 22 16.292 21.727 28.893 1.00 0.00 C ATOM 345 CE LYS A 22 17.048 22.766 28.069 1.00 0.00 C ATOM 346 NZ LYS A 22 16.648 22.713 26.634 1.00 0.00 N ATOM 0 H LYS A 22 12.559 21.263 31.466 1.00 0.00 H new ATOM 0 HA LYS A 22 11.877 22.232 28.959 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.140 22.459 27.914 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.751 23.758 29.024 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.625 23.303 30.198 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.981 21.724 30.600 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.993 21.176 29.520 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.822 21.003 28.227 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.852 23.762 28.467 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.121 22.593 28.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.302 23.292 26.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.681 21.728 26.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.681 23.082 26.529 1.00 0.00 H new ATOM 360 N TYR A 23 12.706 19.997 27.969 1.00 0.00 N ATOM 361 CA TYR A 23 12.864 18.596 27.579 1.00 0.00 C ATOM 362 C TYR A 23 13.732 18.485 26.331 1.00 0.00 C ATOM 363 O TYR A 23 14.918 18.167 26.417 1.00 0.00 O ATOM 364 CB TYR A 23 11.502 17.932 27.324 1.00 0.00 C ATOM 365 CG TYR A 23 10.359 18.900 27.162 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.813 19.518 28.272 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.852 19.167 25.904 1.00 0.00 C ATOM 368 CE1 TYR A 23 8.760 20.402 28.124 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.799 20.051 25.756 1.00 0.00 C ATOM 370 CZ TYR A 23 8.257 20.666 26.866 1.00 0.00 C ATOM 371 OH TYR A 23 7.208 21.544 26.718 1.00 0.00 O ATOM 0 H TYR A 23 12.373 20.608 27.223 1.00 0.00 H new ATOM 0 HA TYR A 23 13.352 18.076 28.404 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.573 17.319 26.426 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.278 17.260 28.152 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.209 19.310 29.255 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.278 18.685 25.037 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.332 20.885 28.990 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.402 20.260 24.774 1.00 0.00 H new ATOM 0 HH TYR A 23 6.975 21.619 25.769 1.00 0.00 H new ATOM 381 N GLU A 24 13.137 18.746 25.172 1.00 0.00 N ATOM 382 CA GLU A 24 13.864 18.669 23.907 1.00 0.00 C ATOM 383 C GLU A 24 14.296 20.060 23.443 1.00 0.00 C ATOM 384 O GLU A 24 15.380 20.523 23.796 1.00 0.00 O ATOM 385 CB GLU A 24 13.017 17.977 22.831 1.00 0.00 C ATOM 386 CG GLU A 24 11.520 18.244 22.998 1.00 0.00 C ATOM 387 CD GLU A 24 10.816 18.168 21.649 1.00 0.00 C ATOM 388 OE1 GLU A 24 11.430 17.664 20.685 1.00 0.00 O ATOM 389 OE2 GLU A 24 9.653 18.613 21.559 1.00 0.00 O ATOM 0 H GLU A 24 12.157 19.012 25.081 1.00 0.00 H new ATOM 0 HA GLU A 24 14.761 18.071 24.070 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.336 18.320 21.847 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.197 16.903 22.868 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.088 17.515 23.683 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.366 19.228 23.441 1.00 0.00 H new ATOM 396 N GLY A 25 13.456 20.727 22.652 1.00 0.00 N ATOM 397 CA GLY A 25 13.780 22.059 22.153 1.00 0.00 C ATOM 398 C GLY A 25 12.557 22.967 22.177 1.00 0.00 C ATOM 399 O GLY A 25 12.408 23.844 21.326 1.00 0.00 O ATOM 0 H GLY A 25 12.552 20.368 22.346 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.573 22.495 22.761 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.163 21.986 21.135 1.00 0.00 H new ATOM 403 N ASP A 26 11.685 22.758 23.158 1.00 0.00 N ATOM 404 CA ASP A 26 10.478 23.567 23.290 1.00 0.00 C ATOM 405 C ASP A 26 10.850 25.037 23.440 1.00 0.00 C ATOM 406 O ASP A 26 12.012 25.409 23.275 1.00 0.00 O ATOM 407 CB ASP A 26 9.670 23.106 24.500 1.00 0.00 C ATOM 408 CG ASP A 26 10.470 23.313 25.778 1.00 0.00 C ATOM 409 OD1 ASP A 26 10.392 24.416 26.358 1.00 0.00 O ATOM 410 OD2 ASP A 26 11.175 22.371 26.198 1.00 0.00 O ATOM 0 H ASP A 26 11.791 22.037 23.872 1.00 0.00 H new ATOM 0 HA ASP A 26 9.871 23.446 22.393 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.734 23.662 24.554 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.409 22.053 24.392 1.00 0.00 H new ATOM 415 N THR A 27 9.864 25.872 23.752 1.00 0.00 N ATOM 416 CA THR A 27 10.104 27.300 23.921 1.00 0.00 C ATOM 417 C THR A 27 9.600 27.765 25.281 1.00 0.00 C ATOM 418 O THR A 27 8.603 27.256 25.793 1.00 0.00 O ATOM 419 CB THR A 27 9.412 28.078 22.807 1.00 0.00 C ATOM 420 OG1 THR A 27 8.218 27.415 22.420 1.00 0.00 O ATOM 421 CG2 THR A 27 10.337 28.234 21.604 1.00 0.00 C ATOM 0 H THR A 27 8.895 25.586 23.892 1.00 0.00 H new ATOM 0 HA THR A 27 11.177 27.485 23.869 1.00 0.00 H new ATOM 0 HB THR A 27 9.163 29.071 23.182 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.881 27.808 21.588 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.824 28.792 20.821 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.236 28.773 21.904 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.613 27.249 21.227 1.00 0.00 H new ATOM 429 N MET A 28 10.302 28.730 25.864 1.00 0.00 N ATOM 430 CA MET A 28 9.938 29.263 27.173 1.00 0.00 C ATOM 431 C MET A 28 9.157 30.562 27.026 1.00 0.00 C ATOM 432 O MET A 28 9.581 31.477 26.321 1.00 0.00 O ATOM 433 CB MET A 28 11.196 29.511 27.992 1.00 0.00 C ATOM 434 CG MET A 28 11.932 28.207 28.289 1.00 0.00 C ATOM 435 SD MET A 28 13.674 28.283 27.841 1.00 0.00 S ATOM 436 CE MET A 28 14.451 28.140 29.458 1.00 0.00 C ATOM 0 H MET A 28 11.129 29.161 25.450 1.00 0.00 H new ATOM 0 HA MET A 28 9.307 28.534 27.682 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.857 30.189 27.451 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.932 30.003 28.928 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.843 27.977 29.351 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.455 27.392 27.745 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.202 28.922 29.571 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.695 28.247 30.236 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.928 27.164 29.548 1.00 0.00 H new ATOM 446 N ALA A 29 8.014 30.636 27.697 1.00 0.00 N ATOM 447 CA ALA A 29 7.170 31.824 27.644 1.00 0.00 C ATOM 448 C ALA A 29 6.988 32.407 29.039 1.00 0.00 C ATOM 449 O ALA A 29 7.299 33.574 29.279 1.00 0.00 O ATOM 450 CB ALA A 29 5.813 31.466 27.047 1.00 0.00 C ATOM 0 H ALA A 29 7.650 29.886 28.285 1.00 0.00 H new ATOM 0 HA ALA A 29 7.653 32.572 27.015 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.186 32.357 27.009 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.951 31.076 26.038 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.331 30.709 27.666 1.00 0.00 H new ATOM 456 N GLU A 30 6.483 31.589 29.957 1.00 0.00 N ATOM 457 CA GLU A 30 6.259 32.025 31.331 1.00 0.00 C ATOM 458 C GLU A 30 6.206 30.824 32.267 1.00 0.00 C ATOM 459 O GLU A 30 5.731 29.753 31.890 1.00 0.00 O ATOM 460 CB GLU A 30 4.954 32.812 31.419 1.00 0.00 C ATOM 461 CG GLU A 30 5.064 33.954 32.425 1.00 0.00 C ATOM 462 CD GLU A 30 3.811 34.819 32.378 1.00 0.00 C ATOM 463 OE1 GLU A 30 3.597 35.503 31.355 1.00 0.00 O ATOM 464 OE2 GLU A 30 3.044 34.811 33.364 1.00 0.00 O ATOM 0 H GLU A 30 6.221 30.620 29.774 1.00 0.00 H new ATOM 0 HA GLU A 30 7.086 32.667 31.634 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.701 33.212 30.437 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.143 32.145 31.710 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.200 33.552 33.429 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.942 34.561 32.203 1.00 0.00 H new ATOM 471 N VAL A 31 6.697 31.008 33.489 1.00 0.00 N ATOM 472 CA VAL A 31 6.706 29.936 34.484 1.00 0.00 C ATOM 473 C VAL A 31 6.248 30.470 35.834 1.00 0.00 C ATOM 474 O VAL A 31 6.602 31.583 36.222 1.00 0.00 O ATOM 475 CB VAL A 31 8.110 29.339 34.623 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.035 27.940 35.226 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.834 29.297 33.280 1.00 0.00 C ATOM 0 H VAL A 31 7.094 31.889 33.816 1.00 0.00 H new ATOM 0 HA VAL A 31 6.021 29.156 34.150 1.00 0.00 H new ATOM 0 HB VAL A 31 8.681 29.984 35.291 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.040 27.529 35.318 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.573 27.993 36.212 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.438 27.297 34.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.827 28.868 33.415 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.266 28.684 32.580 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.927 30.309 32.885 1.00 0.00 H new ATOM 487 N GLU A 32 5.459 29.674 36.548 1.00 0.00 N ATOM 488 CA GLU A 32 4.957 30.072 37.854 1.00 0.00 C ATOM 489 C GLU A 32 5.000 28.894 38.825 1.00 0.00 C ATOM 490 O GLU A 32 4.730 27.754 38.447 1.00 0.00 O ATOM 491 CB GLU A 32 3.537 30.619 37.712 1.00 0.00 C ATOM 492 CG GLU A 32 2.512 29.511 37.503 1.00 0.00 C ATOM 493 CD GLU A 32 1.413 29.966 36.549 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.617 30.973 35.838 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.349 29.313 36.514 1.00 0.00 O ATOM 0 H GLU A 32 5.155 28.750 36.242 1.00 0.00 H new ATOM 0 HA GLU A 32 5.593 30.858 38.260 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.278 31.188 38.605 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.498 31.311 36.871 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.004 28.625 37.103 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.075 29.228 38.461 1.00 0.00 H new ATOM 502 N LEU A 33 5.352 29.178 40.075 1.00 0.00 N ATOM 503 CA LEU A 33 5.446 28.146 41.105 1.00 0.00 C ATOM 504 C LEU A 33 4.374 28.341 42.171 1.00 0.00 C ATOM 505 O LEU A 33 3.641 29.329 42.160 1.00 0.00 O ATOM 506 CB LEU A 33 6.826 28.191 41.755 1.00 0.00 C ATOM 507 CG LEU A 33 7.667 26.983 41.362 1.00 0.00 C ATOM 508 CD1 LEU A 33 9.106 27.157 41.836 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.069 25.702 41.935 1.00 0.00 C ATOM 0 H LEU A 33 5.578 30.118 40.401 1.00 0.00 H new ATOM 0 HA LEU A 33 5.292 27.176 40.633 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.340 29.105 41.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.718 28.223 42.839 1.00 0.00 H new ATOM 0 HG LEU A 33 7.668 26.906 40.275 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.692 26.285 41.547 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.534 28.050 41.380 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.122 27.261 42.921 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.684 24.851 41.643 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.037 25.770 43.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.058 25.568 41.550 1.00 0.00 H new ATOM 521 N ARG A 34 4.301 27.389 43.097 1.00 0.00 N ATOM 522 CA ARG A 34 3.332 27.439 44.188 1.00 0.00 C ATOM 523 C ARG A 34 3.903 26.745 45.420 1.00 0.00 C ATOM 524 O ARG A 34 5.118 26.586 45.542 1.00 0.00 O ATOM 525 CB ARG A 34 2.033 26.761 43.765 1.00 0.00 C ATOM 526 CG ARG A 34 0.828 27.668 44.004 1.00 0.00 C ATOM 527 CD ARG A 34 -0.477 26.955 43.658 1.00 0.00 C ATOM 528 NE ARG A 34 -0.519 25.638 44.284 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.453 25.319 45.173 1.00 0.00 C ATOM 530 NH1 ARG A 34 -1.513 25.958 46.333 1.00 0.00 N ATOM 531 NH2 ARG A 34 -2.329 24.360 44.903 1.00 0.00 N ATOM 0 H ARG A 34 4.906 26.568 43.113 1.00 0.00 H new ATOM 0 HA ARG A 34 3.124 28.481 44.430 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.087 26.495 42.709 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.907 25.832 44.322 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.808 27.983 45.047 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.923 28.571 43.400 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.325 27.552 43.994 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.568 26.854 42.577 1.00 0.00 H new ATOM 0 HE ARG A 34 0.186 24.945 44.033 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.841 26.696 46.544 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.231 25.712 47.014 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.286 23.866 44.012 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.045 24.116 45.587 1.00 0.00 H new ATOM 545 N GLU A 35 3.027 26.330 46.330 1.00 0.00 N ATOM 546 CA GLU A 35 3.460 25.651 47.548 1.00 0.00 C ATOM 547 C GLU A 35 2.319 24.833 48.146 1.00 0.00 C ATOM 548 O GLU A 35 2.290 24.582 49.350 1.00 0.00 O ATOM 549 CB GLU A 35 3.956 26.673 48.566 1.00 0.00 C ATOM 550 CG GLU A 35 5.461 26.893 48.436 1.00 0.00 C ATOM 551 CD GLU A 35 5.743 28.229 47.760 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.009 29.201 48.033 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.699 28.301 46.959 1.00 0.00 O ATOM 0 H GLU A 35 2.017 26.451 46.248 1.00 0.00 H new ATOM 0 HA GLU A 35 4.274 24.973 47.293 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.433 27.618 48.421 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.721 26.330 49.574 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.925 26.871 49.422 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.905 26.084 47.857 1.00 0.00 H new ATOM 560 N HIS A 36 1.384 24.415 47.297 1.00 0.00 N ATOM 561 CA HIS A 36 0.242 23.619 47.741 1.00 0.00 C ATOM 562 C HIS A 36 -0.426 24.262 48.951 1.00 0.00 C ATOM 563 O HIS A 36 -1.061 23.580 49.756 1.00 0.00 O ATOM 564 CB HIS A 36 0.700 22.207 48.094 1.00 0.00 C ATOM 565 CG HIS A 36 -0.111 21.147 47.417 1.00 0.00 C ATOM 566 ND1 HIS A 36 -0.517 19.996 48.041 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.604 21.053 46.155 1.00 0.00 C ATOM 568 CE1 HIS A 36 -1.212 19.238 47.225 1.00 0.00 C ATOM 569 NE2 HIS A 36 -1.287 19.854 46.057 1.00 0.00 N ATOM 0 H HIS A 36 1.394 24.614 46.297 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.483 23.573 46.928 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.747 22.090 47.816 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.640 22.070 49.174 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.484 21.784 45.369 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.647 18.279 47.465 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.766 19.505 45.227 1.00 0.00 H new ATOM 577 N GLY A 37 -0.279 25.576 49.078 1.00 0.00 N ATOM 578 CA GLY A 37 -0.869 26.307 50.193 1.00 0.00 C ATOM 579 C GLY A 37 -1.653 27.512 49.692 1.00 0.00 C ATOM 580 O GLY A 37 -2.809 27.712 50.065 1.00 0.00 O ATOM 0 H GLY A 37 0.244 26.157 48.422 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.528 25.648 50.759 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.085 26.635 50.875 1.00 0.00 H new ATOM 584 N SER A 38 -1.017 28.314 48.845 1.00 0.00 N ATOM 585 CA SER A 38 -1.654 29.504 48.290 1.00 0.00 C ATOM 586 C SER A 38 -2.636 29.118 47.192 1.00 0.00 C ATOM 587 O SER A 38 -2.242 28.594 46.150 1.00 0.00 O ATOM 588 CB SER A 38 -0.594 30.448 47.729 1.00 0.00 C ATOM 589 OG SER A 38 -0.901 31.794 48.059 1.00 0.00 O ATOM 0 H SER A 38 -0.060 28.162 48.527 1.00 0.00 H new ATOM 0 HA SER A 38 -2.200 30.010 49.086 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.385 30.184 48.129 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.536 30.337 46.646 1.00 0.00 H new ATOM 0 HG SER A 38 -0.211 32.386 47.693 1.00 0.00 H new ATOM 595 N ASP A 39 -3.917 29.380 47.431 1.00 0.00 N ATOM 596 CA ASP A 39 -4.958 29.059 46.460 1.00 0.00 C ATOM 597 C ASP A 39 -4.607 29.639 45.095 1.00 0.00 C ATOM 598 O ASP A 39 -5.046 29.129 44.064 1.00 0.00 O ATOM 599 CB ASP A 39 -6.300 29.613 46.931 1.00 0.00 C ATOM 600 CG ASP A 39 -6.980 28.620 47.863 1.00 0.00 C ATOM 601 OD1 ASP A 39 -6.278 27.745 48.413 1.00 0.00 O ATOM 602 OD2 ASP A 39 -8.212 28.717 48.042 1.00 0.00 O ATOM 0 H ASP A 39 -4.259 29.814 48.288 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.030 27.975 46.372 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.150 30.562 47.446 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.940 29.814 46.072 1.00 0.00 H new ATOM 607 N GLU A 40 -3.813 30.705 45.094 1.00 0.00 N ATOM 608 CA GLU A 40 -3.401 31.353 43.854 1.00 0.00 C ATOM 609 C GLU A 40 -1.992 30.918 43.476 1.00 0.00 C ATOM 610 O GLU A 40 -1.359 30.143 44.192 1.00 0.00 O ATOM 611 CB GLU A 40 -3.452 32.870 44.017 1.00 0.00 C ATOM 612 CG GLU A 40 -4.468 33.495 43.064 1.00 0.00 C ATOM 613 CD GLU A 40 -3.895 34.760 42.438 1.00 0.00 C ATOM 614 OE1 GLU A 40 -2.739 34.720 41.968 1.00 0.00 O ATOM 615 OE2 GLU A 40 -4.603 35.788 42.419 1.00 0.00 O ATOM 0 H GLU A 40 -3.442 31.139 45.939 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.085 31.057 43.059 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.713 33.119 45.045 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.465 33.292 43.828 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.731 32.782 42.283 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.386 33.731 43.603 1.00 0.00 H new ATOM 622 N TRP A 41 -1.505 31.419 42.346 1.00 0.00 N ATOM 623 CA TRP A 41 -0.167 31.079 41.874 1.00 0.00 C ATOM 624 C TRP A 41 0.744 32.272 41.942 1.00 0.00 C ATOM 625 O TRP A 41 0.317 33.394 42.214 1.00 0.00 O ATOM 626 CB TRP A 41 -0.228 30.537 40.450 1.00 0.00 C ATOM 627 CG TRP A 41 -0.974 29.242 40.362 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.325 29.081 40.225 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.410 27.915 40.411 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.608 27.745 40.190 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.470 27.007 40.301 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.887 27.411 40.538 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -1.269 25.636 40.314 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.094 26.038 40.552 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.026 25.159 40.442 1.00 0.00 C ATOM 0 H TRP A 41 -2.016 32.061 41.740 1.00 0.00 H new ATOM 0 HA TRP A 41 0.238 30.305 42.526 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.707 31.273 39.804 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.785 30.395 40.075 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.049 29.879 40.156 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.545 27.354 40.094 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.725 28.087 40.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.102 24.955 40.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.097 25.650 40.650 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.205 24.094 40.456 1.00 0.00 H new ATOM 646 N VAL A 42 2.018 32.002 41.743 1.00 0.00 N ATOM 647 CA VAL A 42 3.026 33.020 41.828 1.00 0.00 C ATOM 648 C VAL A 42 4.089 32.787 40.752 1.00 0.00 C ATOM 649 O VAL A 42 4.886 31.853 40.842 1.00 0.00 O ATOM 650 CB VAL A 42 3.564 32.962 43.268 1.00 0.00 C ATOM 651 CG1 VAL A 42 5.071 32.758 43.347 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.125 34.199 44.033 1.00 0.00 C ATOM 0 H VAL A 42 2.375 31.073 41.519 1.00 0.00 H new ATOM 0 HA VAL A 42 2.645 34.023 41.634 1.00 0.00 H new ATOM 0 HB VAL A 42 3.132 32.078 43.737 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.380 32.727 44.392 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.337 31.819 42.862 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.577 33.582 42.844 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.509 34.152 45.052 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.514 35.089 43.539 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.036 34.244 44.057 1.00 0.00 H new ATOM 662 N ALA A 43 4.082 33.637 39.731 1.00 0.00 N ATOM 663 CA ALA A 43 5.033 33.521 38.632 1.00 0.00 C ATOM 664 C ALA A 43 6.456 33.405 39.165 1.00 0.00 C ATOM 665 O ALA A 43 6.809 34.029 40.165 1.00 0.00 O ATOM 666 CB ALA A 43 4.918 34.735 37.714 1.00 0.00 C ATOM 0 H ALA A 43 3.428 34.414 39.642 1.00 0.00 H new ATOM 0 HA ALA A 43 4.800 32.619 38.065 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.632 34.641 36.895 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.907 34.791 37.310 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.133 35.641 38.280 1.00 0.00 H new ATOM 672 N MET A 44 7.266 32.598 38.490 1.00 0.00 N ATOM 673 CA MET A 44 8.651 32.384 38.884 1.00 0.00 C ATOM 674 C MET A 44 9.445 33.680 38.793 1.00 0.00 C ATOM 675 O MET A 44 8.878 34.757 38.609 1.00 0.00 O ATOM 676 CB MET A 44 9.268 31.336 37.972 1.00 0.00 C ATOM 677 CG MET A 44 9.391 29.994 38.675 1.00 0.00 C ATOM 678 SD MET A 44 11.101 29.573 39.046 1.00 0.00 S ATOM 679 CE MET A 44 11.011 27.778 39.074 1.00 0.00 C ATOM 0 H MET A 44 6.983 32.077 37.660 1.00 0.00 H new ATOM 0 HA MET A 44 8.678 32.041 39.918 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.656 31.225 37.077 1.00 0.00 H new ATOM 0 HB3 MET A 44 10.253 31.670 37.646 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.816 30.017 39.600 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.955 29.216 38.048 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.844 27.381 39.653 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.071 27.468 39.531 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.063 27.395 38.055 1.00 0.00 H new ATOM 689 N THR A 45 10.764 33.566 38.920 1.00 0.00 N ATOM 690 CA THR A 45 11.645 34.726 38.849 1.00 0.00 C ATOM 691 C THR A 45 12.851 34.412 37.975 1.00 0.00 C ATOM 692 O THR A 45 13.712 33.617 38.350 1.00 0.00 O ATOM 693 CB THR A 45 12.105 35.121 40.249 1.00 0.00 C ATOM 694 OG1 THR A 45 10.980 35.328 41.088 1.00 0.00 O ATOM 695 CG2 THR A 45 12.962 36.382 40.202 1.00 0.00 C ATOM 0 H THR A 45 11.246 32.680 39.073 1.00 0.00 H new ATOM 0 HA THR A 45 11.096 35.559 38.409 1.00 0.00 H new ATOM 0 HB THR A 45 12.710 34.310 40.655 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.283 35.580 41.985 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.278 36.645 41.211 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.840 36.202 39.582 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.381 37.201 39.779 1.00 0.00 H new ATOM 703 N LYS A 46 12.903 35.039 36.804 1.00 0.00 N ATOM 704 CA LYS A 46 14.001 34.827 35.867 1.00 0.00 C ATOM 705 C LYS A 46 15.300 35.392 36.428 1.00 0.00 C ATOM 706 O LYS A 46 15.852 36.353 35.892 1.00 0.00 O ATOM 707 CB LYS A 46 13.677 35.493 34.534 1.00 0.00 C ATOM 708 CG LYS A 46 13.418 36.984 34.716 1.00 0.00 C ATOM 709 CD LYS A 46 14.141 37.806 33.654 1.00 0.00 C ATOM 710 CE LYS A 46 13.674 37.428 32.252 1.00 0.00 C ATOM 711 NZ LYS A 46 12.769 38.467 31.684 1.00 0.00 N ATOM 0 H LYS A 46 12.196 35.699 36.481 1.00 0.00 H new ATOM 0 HA LYS A 46 14.128 33.755 35.714 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.504 35.346 33.840 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.801 35.020 34.091 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.347 37.178 34.662 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.749 37.294 35.707 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.961 38.867 33.827 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.216 37.648 33.737 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.539 37.300 31.601 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.155 36.470 32.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.468 38.182 30.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.933 38.570 32.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.273 39.375 31.631 1.00 0.00 H new ATOM 725 N GLY A 47 15.785 34.787 37.507 1.00 0.00 N ATOM 726 CA GLY A 47 17.024 35.227 38.140 1.00 0.00 C ATOM 727 C GLY A 47 18.226 34.621 37.429 1.00 0.00 C ATOM 728 O GLY A 47 19.236 35.291 37.214 1.00 0.00 O ATOM 0 H GLY A 47 15.339 33.990 37.962 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.088 36.315 38.113 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.028 34.933 39.190 1.00 0.00 H new ATOM 732 N GLU A 48 18.107 33.350 37.062 1.00 0.00 N ATOM 733 CA GLU A 48 19.180 32.648 36.368 1.00 0.00 C ATOM 734 C GLU A 48 19.023 32.809 34.861 1.00 0.00 C ATOM 735 O GLU A 48 17.906 32.852 34.346 1.00 0.00 O ATOM 736 CB GLU A 48 19.156 31.170 36.740 1.00 0.00 C ATOM 737 CG GLU A 48 20.406 30.452 36.236 1.00 0.00 C ATOM 738 CD GLU A 48 21.180 29.858 37.406 1.00 0.00 C ATOM 739 OE1 GLU A 48 21.189 30.477 38.490 1.00 0.00 O ATOM 740 OE2 GLU A 48 21.776 28.774 37.235 1.00 0.00 O ATOM 0 H GLU A 48 17.276 32.784 37.234 1.00 0.00 H new ATOM 0 HA GLU A 48 20.136 33.076 36.669 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.086 31.066 37.823 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.268 30.700 36.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.125 29.663 35.539 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.039 31.150 35.689 1.00 0.00 H new ATOM 747 N GLY A 49 20.147 32.899 34.159 1.00 0.00 N ATOM 748 CA GLY A 49 20.133 33.058 32.708 1.00 0.00 C ATOM 749 C GLY A 49 19.991 31.713 31.996 1.00 0.00 C ATOM 750 O GLY A 49 20.111 31.641 30.773 1.00 0.00 O ATOM 0 H GLY A 49 21.080 32.865 34.570 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.309 33.711 32.421 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.053 33.546 32.386 1.00 0.00 H new ATOM 754 N GLY A 50 19.736 30.649 32.756 1.00 0.00 N ATOM 755 CA GLY A 50 19.583 29.318 32.177 1.00 0.00 C ATOM 756 C GLY A 50 18.278 28.673 32.629 1.00 0.00 C ATOM 757 O GLY A 50 17.600 28.010 31.844 1.00 0.00 O ATOM 0 H GLY A 50 19.632 30.684 33.770 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.602 29.386 31.089 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.424 28.690 32.471 1.00 0.00 H new ATOM 761 N VAL A 51 17.934 28.862 33.900 1.00 0.00 N ATOM 762 CA VAL A 51 16.712 28.290 34.459 1.00 0.00 C ATOM 763 C VAL A 51 15.952 29.328 35.270 1.00 0.00 C ATOM 764 O VAL A 51 16.347 30.491 35.343 1.00 0.00 O ATOM 765 CB VAL A 51 17.061 27.108 35.356 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.478 25.904 34.518 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.169 27.490 36.333 1.00 0.00 C ATOM 0 H VAL A 51 18.485 29.407 34.563 1.00 0.00 H new ATOM 0 HA VAL A 51 16.081 27.957 33.635 1.00 0.00 H new ATOM 0 HB VAL A 51 16.174 26.836 35.929 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.723 25.070 35.176 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.658 25.618 33.859 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.351 26.163 33.919 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.406 26.635 36.966 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.058 27.788 35.777 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.835 28.321 36.955 1.00 0.00 H new ATOM 777 N TRP A 52 14.858 28.893 35.885 1.00 0.00 N ATOM 778 CA TRP A 52 14.035 29.771 36.705 1.00 0.00 C ATOM 779 C TRP A 52 14.184 29.394 38.171 1.00 0.00 C ATOM 780 O TRP A 52 14.088 28.220 38.531 1.00 0.00 O ATOM 781 CB TRP A 52 12.577 29.651 36.282 1.00 0.00 C ATOM 782 CG TRP A 52 12.420 29.605 34.795 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.714 28.685 34.074 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.996 30.517 33.837 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.814 28.993 32.746 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.586 30.099 32.565 1.00 0.00 C ATOM 787 CE3 TRP A 52 13.812 31.646 33.935 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.965 30.769 31.414 1.00 0.00 C ATOM 789 CZ3 TRP A 52 14.196 32.321 32.784 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.774 31.885 31.535 1.00 0.00 C ATOM 0 H TRP A 52 14.520 27.932 35.830 1.00 0.00 H new ATOM 0 HA TRP A 52 14.361 30.802 36.569 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.147 28.750 36.719 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.015 30.497 36.679 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.166 27.850 34.486 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.371 28.466 31.994 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.143 31.993 34.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.636 30.428 30.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.829 33.193 32.861 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.080 32.422 30.649 1.00 0.00 H new ATOM 801 N THR A 53 14.425 30.388 39.015 1.00 0.00 N ATOM 802 CA THR A 53 14.594 30.149 40.443 1.00 0.00 C ATOM 803 C THR A 53 13.483 30.831 41.228 1.00 0.00 C ATOM 804 O THR A 53 12.695 31.597 40.672 1.00 0.00 O ATOM 805 CB THR A 53 15.952 30.673 40.901 1.00 0.00 C ATOM 806 OG1 THR A 53 16.236 31.906 40.260 1.00 0.00 O ATOM 807 CG2 THR A 53 17.053 29.661 40.598 1.00 0.00 C ATOM 0 H THR A 53 14.508 31.366 38.737 1.00 0.00 H new ATOM 0 HA THR A 53 14.545 29.076 40.627 1.00 0.00 H new ATOM 0 HB THR A 53 15.916 30.829 41.979 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.108 32.237 40.560 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.012 30.056 40.933 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.843 28.727 41.120 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.092 29.476 39.525 1.00 0.00 H new ATOM 815 N PHE A 54 13.426 30.550 42.525 1.00 0.00 N ATOM 816 CA PHE A 54 12.410 31.137 43.392 1.00 0.00 C ATOM 817 C PHE A 54 12.852 31.067 44.848 1.00 0.00 C ATOM 818 O PHE A 54 13.055 29.982 45.394 1.00 0.00 O ATOM 819 CB PHE A 54 11.085 30.402 43.214 1.00 0.00 C ATOM 820 CG PHE A 54 9.935 31.089 43.908 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.357 32.214 43.344 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.456 30.596 45.111 1.00 0.00 C ATOM 823 CE1 PHE A 54 8.301 32.845 43.981 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.401 31.227 45.748 1.00 0.00 C ATOM 825 CZ PHE A 54 7.823 32.351 45.183 1.00 0.00 C ATOM 0 H PHE A 54 14.072 29.919 43.000 1.00 0.00 H new ATOM 0 HA PHE A 54 12.277 32.183 43.116 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.862 30.317 42.150 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.183 29.388 43.601 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.730 32.600 42.407 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.906 29.719 45.552 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.851 33.722 43.540 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.029 30.842 46.686 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.999 32.842 45.680 1.00 0.00 H new ATOM 835 N ASP A 55 12.999 32.231 45.474 1.00 0.00 N ATOM 836 CA ASP A 55 13.417 32.305 46.871 1.00 0.00 C ATOM 837 C ASP A 55 12.298 31.820 47.784 1.00 0.00 C ATOM 838 O ASP A 55 11.157 32.270 47.675 1.00 0.00 O ATOM 839 CB ASP A 55 13.795 33.740 47.227 1.00 0.00 C ATOM 840 CG ASP A 55 15.099 34.127 46.542 1.00 0.00 C ATOM 841 OD1 ASP A 55 15.167 34.038 45.298 1.00 0.00 O ATOM 842 OD2 ASP A 55 16.050 34.519 47.251 1.00 0.00 O ATOM 0 H ASP A 55 12.835 33.137 45.036 1.00 0.00 H new ATOM 0 HA ASP A 55 14.286 31.663 47.011 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.000 34.420 46.921 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.900 33.838 48.307 1.00 0.00 H new ATOM 847 N SER A 56 12.631 30.900 48.684 1.00 0.00 N ATOM 848 CA SER A 56 11.653 30.351 49.618 1.00 0.00 C ATOM 849 C SER A 56 11.721 31.085 50.951 1.00 0.00 C ATOM 850 O SER A 56 12.787 31.197 51.556 1.00 0.00 O ATOM 851 CB SER A 56 11.913 28.863 49.831 1.00 0.00 C ATOM 852 OG SER A 56 13.189 28.658 50.418 1.00 0.00 O ATOM 0 H SER A 56 13.571 30.518 48.787 1.00 0.00 H new ATOM 0 HA SER A 56 10.657 30.483 49.196 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.139 28.441 50.473 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.857 28.338 48.877 1.00 0.00 H new ATOM 0 HG SER A 56 13.463 29.468 50.897 1.00 0.00 H new ATOM 858 N GLU A 57 10.576 31.583 51.403 1.00 0.00 N ATOM 859 CA GLU A 57 10.500 32.308 52.666 1.00 0.00 C ATOM 860 C GLU A 57 9.275 31.869 53.457 1.00 0.00 C ATOM 861 O GLU A 57 8.630 32.679 54.122 1.00 0.00 O ATOM 862 CB GLU A 57 10.439 33.810 52.402 1.00 0.00 C ATOM 863 CG GLU A 57 11.756 34.322 51.824 1.00 0.00 C ATOM 864 CD GLU A 57 11.653 35.810 51.516 1.00 0.00 C ATOM 865 OE1 GLU A 57 11.632 36.616 52.471 1.00 0.00 O ATOM 866 OE2 GLU A 57 11.595 36.168 50.321 1.00 0.00 O ATOM 0 H GLU A 57 9.686 31.498 50.913 1.00 0.00 H new ATOM 0 HA GLU A 57 11.392 32.084 53.251 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.626 34.028 51.710 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.217 34.336 53.330 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.565 34.145 52.532 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.001 33.771 50.916 1.00 0.00 H new ATOM 873 N GLU A 58 8.960 30.580 53.382 1.00 0.00 N ATOM 874 CA GLU A 58 7.812 30.028 54.094 1.00 0.00 C ATOM 875 C GLU A 58 8.172 28.684 54.718 1.00 0.00 C ATOM 876 O GLU A 58 9.097 28.009 54.267 1.00 0.00 O ATOM 877 CB GLU A 58 6.633 29.863 53.140 1.00 0.00 C ATOM 878 CG GLU A 58 6.981 28.931 51.982 1.00 0.00 C ATOM 879 CD GLU A 58 7.452 29.740 50.780 1.00 0.00 C ATOM 880 OE1 GLU A 58 6.709 30.642 50.341 1.00 0.00 O ATOM 881 OE2 GLU A 58 8.565 29.470 50.280 1.00 0.00 O ATOM 0 H GLU A 58 9.484 29.897 52.835 1.00 0.00 H new ATOM 0 HA GLU A 58 7.530 30.718 54.889 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.776 29.466 53.684 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.340 30.837 52.750 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.761 28.234 52.288 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.109 28.336 51.710 1.00 0.00 H new ATOM 888 N PRO A 59 7.441 28.278 55.770 1.00 0.00 N ATOM 889 CA PRO A 59 7.686 27.003 56.463 1.00 0.00 C ATOM 890 C PRO A 59 7.246 25.803 55.634 1.00 0.00 C ATOM 891 O PRO A 59 7.774 24.702 55.788 1.00 0.00 O ATOM 892 CB PRO A 59 6.852 27.110 57.731 1.00 0.00 C ATOM 893 CG PRO A 59 5.767 28.079 57.411 1.00 0.00 C ATOM 894 CD PRO A 59 6.320 29.021 56.373 1.00 0.00 C ATOM 0 HA PRO A 59 8.747 26.845 56.655 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.442 26.141 58.014 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.455 27.458 58.570 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.885 27.562 57.033 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.459 28.624 58.303 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.567 29.279 55.628 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.657 29.955 56.822 1.00 0.00 H new ATOM 902 N LEU A 60 6.272 26.024 54.760 1.00 0.00 N ATOM 903 CA LEU A 60 5.752 24.963 53.907 1.00 0.00 C ATOM 904 C LEU A 60 6.679 24.727 52.723 1.00 0.00 C ATOM 905 O LEU A 60 7.020 25.657 51.992 1.00 0.00 O ATOM 906 CB LEU A 60 4.356 25.336 53.418 1.00 0.00 C ATOM 907 CG LEU A 60 3.450 25.708 54.589 1.00 0.00 C ATOM 908 CD1 LEU A 60 2.630 26.952 54.258 1.00 0.00 C ATOM 909 CD2 LEU A 60 2.533 24.542 54.947 1.00 0.00 C ATOM 0 H LEU A 60 5.825 26.931 54.623 1.00 0.00 H new ATOM 0 HA LEU A 60 5.695 24.041 54.486 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.421 26.173 52.723 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.923 24.500 52.869 1.00 0.00 H new ATOM 0 HG LEU A 60 4.077 25.930 55.452 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.990 27.202 55.104 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.301 27.786 54.052 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.012 26.758 53.381 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.894 24.825 55.784 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.913 24.289 54.087 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.136 23.678 55.227 1.00 0.00 H new ATOM 921 N GLN A 61 7.088 23.476 52.541 1.00 0.00 N ATOM 922 CA GLN A 61 7.981 23.111 51.447 1.00 0.00 C ATOM 923 C GLN A 61 7.834 21.632 51.114 1.00 0.00 C ATOM 924 O GLN A 61 7.025 20.927 51.717 1.00 0.00 O ATOM 925 CB GLN A 61 9.425 23.412 51.835 1.00 0.00 C ATOM 926 CG GLN A 61 9.800 22.725 53.146 1.00 0.00 C ATOM 927 CD GLN A 61 11.000 23.415 53.780 1.00 0.00 C ATOM 928 OE1 GLN A 61 10.850 24.243 54.678 1.00 0.00 O ATOM 929 NE2 GLN A 61 12.195 23.074 53.312 1.00 0.00 N ATOM 0 H GLN A 61 6.815 22.696 53.139 1.00 0.00 H new ATOM 0 HA GLN A 61 7.715 23.697 50.567 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.094 23.078 51.042 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.561 24.489 51.934 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.954 22.749 53.832 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.031 21.676 52.962 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.272 22.382 52.566 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.036 23.504 53.698 1.00 0.00 H new ATOM 938 N GLY A 62 8.623 21.166 50.151 1.00 0.00 N ATOM 939 CA GLY A 62 8.585 19.768 49.736 1.00 0.00 C ATOM 940 C GLY A 62 8.210 19.649 48.262 1.00 0.00 C ATOM 941 O GLY A 62 9.021 19.946 47.385 1.00 0.00 O ATOM 0 H GLY A 62 9.298 21.737 49.642 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.558 19.307 49.906 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.863 19.223 50.344 1.00 0.00 H new ATOM 945 N PRO A 63 6.971 19.213 47.966 1.00 0.00 N ATOM 946 CA PRO A 63 6.499 19.059 46.584 1.00 0.00 C ATOM 947 C PRO A 63 6.127 20.397 45.956 1.00 0.00 C ATOM 948 O PRO A 63 5.314 21.144 46.501 1.00 0.00 O ATOM 949 CB PRO A 63 5.277 18.161 46.711 1.00 0.00 C ATOM 950 CG PRO A 63 4.773 18.361 48.104 1.00 0.00 C ATOM 951 CD PRO A 63 5.936 18.837 48.944 1.00 0.00 C ATOM 0 HA PRO A 63 7.269 18.643 45.934 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.517 18.428 45.977 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.538 17.117 46.535 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.965 19.093 48.118 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.368 17.431 48.502 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.654 19.685 49.568 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.289 18.052 49.613 1.00 0.00 H new ATOM 959 N PHE A 64 6.728 20.695 44.809 1.00 0.00 N ATOM 960 CA PHE A 64 6.462 21.946 44.107 1.00 0.00 C ATOM 961 C PHE A 64 5.505 21.715 42.945 1.00 0.00 C ATOM 962 O PHE A 64 5.524 20.661 42.310 1.00 0.00 O ATOM 963 CB PHE A 64 7.767 22.542 43.587 1.00 0.00 C ATOM 964 CG PHE A 64 8.618 23.141 44.678 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.134 24.196 45.435 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.884 22.638 44.923 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.917 24.746 46.436 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.667 23.187 45.924 1.00 0.00 C ATOM 969 CZ PHE A 64 10.184 24.241 46.681 1.00 0.00 C ATOM 0 H PHE A 64 7.403 20.087 44.345 1.00 0.00 H new ATOM 0 HA PHE A 64 6.001 22.642 44.808 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.336 21.766 43.075 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.540 23.310 42.848 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.146 24.589 45.244 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.261 21.816 44.333 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.540 25.569 47.026 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.654 22.793 46.114 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.795 24.669 47.462 1.00 0.00 H new ATOM 979 N ASN A 65 4.676 22.715 42.666 1.00 0.00 N ATOM 980 CA ASN A 65 3.713 22.636 41.573 1.00 0.00 C ATOM 981 C ASN A 65 3.974 23.759 40.580 1.00 0.00 C ATOM 982 O ASN A 65 4.128 24.917 40.968 1.00 0.00 O ATOM 983 CB ASN A 65 2.291 22.736 42.118 1.00 0.00 C ATOM 984 CG ASN A 65 2.131 21.851 43.347 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.569 20.758 43.268 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.624 22.323 44.486 1.00 0.00 N ATOM 0 H ASN A 65 4.652 23.593 43.184 1.00 0.00 H new ATOM 0 HA ASN A 65 3.825 21.678 41.066 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.065 23.771 42.375 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.578 22.435 41.350 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.545 21.774 45.342 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.082 23.234 44.505 1.00 0.00 H new ATOM 993 N PHE A 66 4.038 23.415 39.299 1.00 0.00 N ATOM 994 CA PHE A 66 4.300 24.405 38.258 1.00 0.00 C ATOM 995 C PHE A 66 3.106 24.567 37.331 1.00 0.00 C ATOM 996 O PHE A 66 2.225 23.710 37.278 1.00 0.00 O ATOM 997 CB PHE A 66 5.498 23.980 37.427 1.00 0.00 C ATOM 998 CG PHE A 66 6.819 24.422 38.005 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.343 25.663 37.680 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.515 23.580 38.856 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.561 26.060 38.206 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.731 23.977 39.384 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.255 25.216 39.059 1.00 0.00 C ATOM 0 H PHE A 66 3.913 22.463 38.956 1.00 0.00 H new ATOM 0 HA PHE A 66 4.496 25.356 38.754 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.497 22.894 37.332 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.396 24.388 36.421 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.801 26.321 37.016 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.108 22.612 39.108 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.970 27.027 37.952 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.271 23.320 40.050 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.205 25.525 39.470 1.00 0.00 H new ATOM 1013 N ARG A 67 3.109 25.671 36.584 1.00 0.00 N ATOM 1014 CA ARG A 67 2.051 25.974 35.625 1.00 0.00 C ATOM 1015 C ARG A 67 2.535 27.025 34.639 1.00 0.00 C ATOM 1016 O ARG A 67 1.993 28.128 34.577 1.00 0.00 O ATOM 1017 CB ARG A 67 0.813 26.482 36.350 1.00 0.00 C ATOM 1018 CG ARG A 67 0.163 25.369 37.153 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.324 25.636 37.368 1.00 0.00 C ATOM 1020 NE ARG A 67 -2.024 25.633 36.087 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.217 26.201 35.940 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.405 27.462 36.305 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.223 25.508 35.424 1.00 0.00 N ATOM 0 H ARG A 67 3.843 26.378 36.628 1.00 0.00 H new ATOM 0 HA ARG A 67 1.795 25.063 35.085 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.086 27.303 37.013 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.100 26.879 35.627 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.293 24.419 36.634 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.661 25.275 38.118 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.747 24.875 38.024 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.461 26.597 37.864 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.586 25.183 35.283 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.633 27.999 36.700 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.322 27.895 36.191 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.082 24.539 35.140 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.138 25.944 35.311 1.00 0.00 H new ATOM 1037 N PHE A 68 3.565 26.681 33.877 1.00 0.00 N ATOM 1038 CA PHE A 68 4.130 27.605 32.900 1.00 0.00 C ATOM 1039 C PHE A 68 3.143 27.873 31.776 1.00 0.00 C ATOM 1040 O PHE A 68 2.032 27.344 31.765 1.00 0.00 O ATOM 1041 CB PHE A 68 5.432 27.048 32.320 1.00 0.00 C ATOM 1042 CG PHE A 68 5.398 25.559 32.045 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.208 24.926 31.714 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.570 24.823 32.119 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.194 23.565 31.459 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.553 23.462 31.864 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.366 22.833 31.534 1.00 0.00 C ATOM 0 H PHE A 68 4.026 25.772 33.916 1.00 0.00 H new ATOM 0 HA PHE A 68 4.343 28.543 33.413 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.658 27.573 31.392 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.246 27.260 33.013 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.292 25.495 31.655 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.498 25.312 32.376 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.267 23.074 31.201 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.468 22.891 31.923 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.354 21.772 31.335 1.00 0.00 H new ATOM 1057 N LEU A 69 3.569 28.690 30.824 1.00 0.00 N ATOM 1058 CA LEU A 69 2.745 29.033 29.673 1.00 0.00 C ATOM 1059 C LEU A 69 3.607 28.986 28.422 1.00 0.00 C ATOM 1060 O LEU A 69 3.696 29.969 27.688 1.00 0.00 O ATOM 1061 CB LEU A 69 2.141 30.429 29.838 1.00 0.00 C ATOM 1062 CG LEU A 69 1.791 30.730 31.295 1.00 0.00 C ATOM 1063 CD1 LEU A 69 1.241 32.147 31.432 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.785 29.713 31.826 1.00 0.00 C ATOM 0 H LEU A 69 4.489 29.131 30.826 1.00 0.00 H new ATOM 0 HA LEU A 69 1.927 28.317 29.590 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.846 31.175 29.472 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.244 30.511 29.225 1.00 0.00 H new ATOM 0 HG LEU A 69 2.702 30.655 31.889 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.997 32.343 32.476 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.990 32.862 31.093 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.342 32.249 30.824 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.548 29.944 32.865 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.125 29.755 31.228 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.213 28.712 31.765 1.00 0.00 H new ATOM 1076 N THR A 70 4.255 27.831 28.207 1.00 0.00 N ATOM 1077 CA THR A 70 5.154 27.603 27.063 1.00 0.00 C ATOM 1078 C THR A 70 4.759 28.436 25.846 1.00 0.00 C ATOM 1079 O THR A 70 3.578 28.573 25.529 1.00 0.00 O ATOM 1080 CB THR A 70 5.160 26.120 26.701 1.00 0.00 C ATOM 1081 OG1 THR A 70 3.830 25.630 26.630 1.00 0.00 O ATOM 1082 CG2 THR A 70 5.958 25.319 27.726 1.00 0.00 C ATOM 0 H THR A 70 4.170 27.024 28.825 1.00 0.00 H new ATOM 0 HA THR A 70 6.155 27.916 27.361 1.00 0.00 H new ATOM 0 HB THR A 70 5.635 26.005 25.726 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.845 24.653 26.555 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.950 24.265 27.450 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.986 25.680 27.750 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.509 25.439 28.712 1.00 0.00 H new ATOM 1090 N GLU A 71 5.762 29.001 25.181 1.00 0.00 N ATOM 1091 CA GLU A 71 5.532 29.837 24.009 1.00 0.00 C ATOM 1092 C GLU A 71 4.639 29.120 23.004 1.00 0.00 C ATOM 1093 O GLU A 71 3.494 29.517 22.787 1.00 0.00 O ATOM 1094 CB GLU A 71 6.865 30.207 23.364 1.00 0.00 C ATOM 1095 CG GLU A 71 7.872 30.703 24.401 1.00 0.00 C ATOM 1096 CD GLU A 71 8.881 31.637 23.746 1.00 0.00 C ATOM 1097 OE1 GLU A 71 8.453 32.609 23.089 1.00 0.00 O ATOM 1098 OE2 GLU A 71 10.097 31.395 23.892 1.00 0.00 O ATOM 0 H GLU A 71 6.744 28.894 25.435 1.00 0.00 H new ATOM 0 HA GLU A 71 5.026 30.749 24.326 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.273 29.339 22.846 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.704 30.980 22.613 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.351 31.224 25.205 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.389 29.856 24.852 1.00 0.00 H new ATOM 1105 N LYS A 72 5.164 28.064 22.392 1.00 0.00 N ATOM 1106 CA LYS A 72 4.405 27.294 21.410 1.00 0.00 C ATOM 1107 C LYS A 72 3.975 25.959 22.003 1.00 0.00 C ATOM 1108 O LYS A 72 4.457 24.903 21.593 1.00 0.00 O ATOM 1109 CB LYS A 72 5.249 27.059 20.160 1.00 0.00 C ATOM 1110 CG LYS A 72 4.394 27.119 18.896 1.00 0.00 C ATOM 1111 CD LYS A 72 3.612 25.824 18.695 1.00 0.00 C ATOM 1112 CE LYS A 72 2.857 25.833 17.368 1.00 0.00 C ATOM 1113 NZ LYS A 72 1.389 25.683 17.578 1.00 0.00 N ATOM 0 H LYS A 72 6.110 27.721 22.557 1.00 0.00 H new ATOM 0 HA LYS A 72 3.515 27.861 21.136 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.038 27.809 20.104 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.738 26.087 20.226 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.702 27.958 18.962 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.032 27.299 18.031 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.296 24.976 18.721 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.907 25.691 19.516 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.057 26.765 16.840 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.220 25.023 16.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.904 25.693 16.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.198 24.782 18.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.040 26.470 18.162 1.00 0.00 H new ATOM 1127 N GLY A 73 3.066 26.010 22.972 1.00 0.00 N ATOM 1128 CA GLY A 73 2.572 24.801 23.622 1.00 0.00 C ATOM 1129 C GLY A 73 1.218 25.048 24.275 1.00 0.00 C ATOM 1130 O GLY A 73 0.194 25.125 23.596 1.00 0.00 O ATOM 0 H GLY A 73 2.657 26.875 23.324 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.486 23.999 22.889 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.288 24.470 24.374 1.00 0.00 H new ATOM 1134 N MET A 74 1.219 25.168 25.599 1.00 0.00 N ATOM 1135 CA MET A 74 -0.008 25.403 26.353 1.00 0.00 C ATOM 1136 C MET A 74 0.278 25.355 27.849 1.00 0.00 C ATOM 1137 O MET A 74 1.414 25.129 28.265 1.00 0.00 O ATOM 1138 CB MET A 74 -1.052 24.351 25.990 1.00 0.00 C ATOM 1139 CG MET A 74 -0.441 22.953 25.963 1.00 0.00 C ATOM 1140 SD MET A 74 -1.626 21.695 25.458 1.00 0.00 S ATOM 1141 CE MET A 74 -2.579 21.496 26.972 1.00 0.00 C ATOM 0 H MET A 74 2.059 25.106 26.174 1.00 0.00 H new ATOM 0 HA MET A 74 -0.394 26.390 26.099 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.868 24.380 26.712 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.481 24.582 25.015 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.408 22.944 25.279 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.056 22.709 26.953 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.344 20.734 26.823 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.916 21.191 27.782 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.055 22.442 27.229 1.00 0.00 H new ATOM 1151 N LYS A 75 -0.757 25.567 28.656 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.611 25.544 30.108 1.00 0.00 C ATOM 1153 C LYS A 75 -0.870 24.143 30.644 1.00 0.00 C ATOM 1154 O LYS A 75 -1.235 23.237 29.894 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.581 26.529 30.755 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.651 27.837 29.974 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.829 27.836 29.007 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.771 29.005 29.282 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.597 30.089 28.274 1.00 0.00 N ATOM 0 H LYS A 75 -1.705 25.756 28.330 1.00 0.00 H new ATOM 0 HA LYS A 75 0.410 25.836 30.355 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.574 26.082 30.808 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.267 26.731 31.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.746 28.673 30.667 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.723 27.984 29.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.462 27.895 27.982 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.375 26.897 29.096 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.803 28.654 29.268 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.582 29.400 30.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.250 30.869 28.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.618 30.439 28.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.801 29.716 27.325 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.680 23.972 31.948 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.894 22.680 32.593 1.00 0.00 C ATOM 1175 C ASN A 76 -0.461 22.736 34.052 1.00 0.00 C ATOM 1176 O ASN A 76 0.158 23.705 34.489 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.110 21.595 31.861 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.996 20.381 31.616 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.719 19.288 32.111 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -2.065 20.572 30.852 1.00 0.00 N ATOM 0 H ASN A 76 -0.378 24.713 32.581 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.957 22.443 32.552 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.260 21.982 30.912 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.761 21.306 32.449 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.696 19.795 30.654 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.255 21.495 30.463 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.791 21.688 34.803 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.436 21.617 36.217 1.00 0.00 C ATOM 1189 C VAL A 77 0.494 20.439 36.475 1.00 0.00 C ATOM 1190 O VAL A 77 0.535 19.484 35.700 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.695 21.483 37.068 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.334 21.392 38.548 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.637 22.657 36.819 1.00 0.00 C ATOM 0 H VAL A 77 -1.303 20.877 34.456 1.00 0.00 H new ATOM 0 HA VAL A 77 0.082 22.536 36.490 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.207 20.564 36.782 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.245 21.297 39.139 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.700 20.521 38.715 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.799 22.293 38.848 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.529 22.544 37.435 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.133 23.589 37.077 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.922 22.678 35.767 1.00 0.00 H new ATOM 1203 N PHE A 78 1.242 20.516 37.571 1.00 0.00 N ATOM 1204 CA PHE A 78 2.177 19.459 37.938 1.00 0.00 C ATOM 1205 C PHE A 78 2.237 19.306 39.452 1.00 0.00 C ATOM 1206 O PHE A 78 2.410 20.284 40.179 1.00 0.00 O ATOM 1207 CB PHE A 78 3.565 19.783 37.393 1.00 0.00 C ATOM 1208 CG PHE A 78 3.549 20.154 35.932 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.340 19.180 34.970 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.741 21.472 35.550 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.323 19.522 33.628 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.724 21.814 34.208 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.515 20.840 33.247 1.00 0.00 C ATOM 0 H PHE A 78 1.218 21.301 38.222 1.00 0.00 H new ATOM 0 HA PHE A 78 1.832 18.520 37.506 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.992 20.605 37.967 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.217 18.921 37.537 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.190 18.152 35.267 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.904 22.233 36.299 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.160 18.761 32.879 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.874 22.842 33.911 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.502 21.107 32.201 1.00 0.00 H new ATOM 1223 N ASP A 79 2.094 18.071 39.923 1.00 0.00 N ATOM 1224 CA ASP A 79 2.133 17.787 41.354 1.00 0.00 C ATOM 1225 C ASP A 79 3.286 16.846 41.675 1.00 0.00 C ATOM 1226 O ASP A 79 3.639 15.984 40.871 1.00 0.00 O ATOM 1227 CB ASP A 79 0.814 17.161 41.796 1.00 0.00 C ATOM 1228 CG ASP A 79 -0.093 18.220 42.409 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -0.494 19.153 41.682 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -0.402 18.115 43.614 1.00 0.00 O ATOM 0 H ASP A 79 1.950 17.250 39.335 1.00 0.00 H new ATOM 0 HA ASP A 79 2.283 18.723 41.893 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.319 16.698 40.942 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.004 16.370 42.522 1.00 0.00 H new ATOM 1235 N ASP A 80 3.869 17.015 42.857 1.00 0.00 N ATOM 1236 CA ASP A 80 4.983 16.177 43.287 1.00 0.00 C ATOM 1237 C ASP A 80 6.146 16.294 42.309 1.00 0.00 C ATOM 1238 O ASP A 80 6.742 15.291 41.918 1.00 0.00 O ATOM 1239 CB ASP A 80 4.531 14.724 43.387 1.00 0.00 C ATOM 1240 CG ASP A 80 4.101 14.402 44.813 1.00 0.00 C ATOM 1241 OD1 ASP A 80 4.607 15.056 45.749 1.00 0.00 O ATOM 1242 OD2 ASP A 80 3.259 13.497 44.991 1.00 0.00 O ATOM 0 H ASP A 80 3.589 17.724 43.534 1.00 0.00 H new ATOM 0 HA ASP A 80 5.317 16.517 44.267 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.703 14.545 42.701 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.343 14.062 43.086 1.00 0.00 H new ATOM 1247 N VAL A 81 6.465 17.524 41.919 1.00 0.00 N ATOM 1248 CA VAL A 81 7.560 17.774 40.987 1.00 0.00 C ATOM 1249 C VAL A 81 8.913 17.745 41.706 1.00 0.00 C ATOM 1250 O VAL A 81 9.958 17.859 41.068 1.00 0.00 O ATOM 1251 CB VAL A 81 7.348 19.122 40.293 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.557 19.502 39.438 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.088 19.080 39.433 1.00 0.00 C ATOM 0 H VAL A 81 5.980 18.364 42.234 1.00 0.00 H new ATOM 0 HA VAL A 81 7.567 16.983 40.237 1.00 0.00 H new ATOM 0 HB VAL A 81 7.228 19.882 41.065 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.376 20.464 38.958 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.442 19.573 40.070 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.717 18.740 38.675 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.948 20.045 38.945 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.190 18.302 38.677 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.225 18.864 40.063 1.00 0.00 H new ATOM 1263 N VAL A 82 8.895 17.587 43.030 1.00 0.00 N ATOM 1264 CA VAL A 82 10.126 17.538 43.811 1.00 0.00 C ATOM 1265 C VAL A 82 9.885 16.798 45.126 1.00 0.00 C ATOM 1266 O VAL A 82 9.025 17.190 45.914 1.00 0.00 O ATOM 1267 CB VAL A 82 10.626 18.951 44.098 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.899 18.903 44.940 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.875 19.708 42.796 1.00 0.00 C ATOM 0 H VAL A 82 8.042 17.491 43.581 1.00 0.00 H new ATOM 0 HA VAL A 82 10.882 17.005 43.235 1.00 0.00 H new ATOM 0 HB VAL A 82 9.857 19.481 44.660 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.244 19.918 45.137 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.692 18.401 45.885 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.672 18.356 44.400 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.231 20.713 43.022 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.625 19.181 42.207 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.947 19.771 42.228 1.00 0.00 H new ATOM 1279 N PRO A 83 10.639 15.713 45.383 1.00 0.00 N ATOM 1280 CA PRO A 83 10.494 14.922 46.615 1.00 0.00 C ATOM 1281 C PRO A 83 11.103 15.624 47.823 1.00 0.00 C ATOM 1282 O PRO A 83 11.711 16.687 47.694 1.00 0.00 O ATOM 1283 CB PRO A 83 11.247 13.634 46.315 1.00 0.00 C ATOM 1284 CG PRO A 83 12.249 13.996 45.267 1.00 0.00 C ATOM 1285 CD PRO A 83 11.687 15.168 44.502 1.00 0.00 C ATOM 0 HA PRO A 83 9.446 14.762 46.870 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.736 13.247 47.209 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.570 12.857 45.960 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.205 14.256 45.722 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.431 13.153 44.601 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.456 15.911 44.293 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.276 14.856 43.542 1.00 0.00 H new ATOM 1293 N GLU A 84 10.946 15.017 48.996 1.00 0.00 N ATOM 1294 CA GLU A 84 11.491 15.579 50.228 1.00 0.00 C ATOM 1295 C GLU A 84 12.989 15.316 50.294 1.00 0.00 C ATOM 1296 O GLU A 84 13.440 14.192 50.076 1.00 0.00 O ATOM 1297 CB GLU A 84 10.799 14.961 51.440 1.00 0.00 C ATOM 1298 CG GLU A 84 9.821 15.943 52.080 1.00 0.00 C ATOM 1299 CD GLU A 84 10.567 16.924 52.975 1.00 0.00 C ATOM 1300 OE1 GLU A 84 11.745 17.219 52.684 1.00 0.00 O ATOM 1301 OE2 GLU A 84 9.971 17.397 53.966 1.00 0.00 O ATOM 0 H GLU A 84 10.446 14.136 49.119 1.00 0.00 H new ATOM 0 HA GLU A 84 11.315 16.655 50.235 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.267 14.059 51.137 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.546 14.659 52.173 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.281 16.486 51.305 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.079 15.399 52.664 1.00 0.00 H new ATOM 1308 N LYS A 85 13.760 16.358 50.585 1.00 0.00 N ATOM 1309 CA LYS A 85 15.210 16.230 50.666 1.00 0.00 C ATOM 1310 C LYS A 85 15.763 15.756 49.328 1.00 0.00 C ATOM 1311 O LYS A 85 16.660 14.914 49.277 1.00 0.00 O ATOM 1312 CB LYS A 85 15.588 15.240 51.764 1.00 0.00 C ATOM 1313 CG LYS A 85 15.573 15.904 53.137 1.00 0.00 C ATOM 1314 CD LYS A 85 16.980 16.002 53.717 1.00 0.00 C ATOM 1315 CE LYS A 85 17.219 17.365 54.360 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.675 17.637 54.529 1.00 0.00 N ATOM 0 H LYS A 85 13.407 17.297 50.768 1.00 0.00 H new ATOM 0 HA LYS A 85 15.638 17.203 50.905 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.892 14.401 51.756 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.580 14.834 51.565 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.139 16.901 53.057 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.937 15.333 53.813 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.126 15.217 54.459 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.714 15.836 52.928 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.771 18.144 53.743 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.725 17.403 55.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.805 18.571 54.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.096 16.906 55.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.141 17.624 53.599 1.00 0.00 H new ATOM 1330 N TYR A 86 15.214 16.299 48.245 1.00 0.00 N ATOM 1331 CA TYR A 86 15.640 15.934 46.896 1.00 0.00 C ATOM 1332 C TYR A 86 17.160 15.950 46.784 1.00 0.00 C ATOM 1333 O TYR A 86 17.859 16.343 47.718 1.00 0.00 O ATOM 1334 CB TYR A 86 15.037 16.900 45.882 1.00 0.00 C ATOM 1335 CG TYR A 86 15.420 18.335 46.139 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.672 18.796 45.768 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.521 19.196 46.745 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.023 20.115 46.005 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.874 20.514 46.980 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.122 20.967 46.609 1.00 0.00 C ATOM 1341 OH TYR A 86 16.472 22.277 46.843 1.00 0.00 O ATOM 0 H TYR A 86 14.470 16.996 48.275 1.00 0.00 H new ATOM 0 HA TYR A 86 15.289 14.923 46.687 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.361 16.617 44.881 1.00 0.00 H new ATOM 0 HB3 TYR A 86 13.951 16.810 45.903 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.375 18.127 45.294 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.544 18.839 47.035 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.000 20.475 45.718 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.173 21.186 47.453 1.00 0.00 H new ATOM 0 HH TYR A 86 17.442 22.378 46.751 1.00 0.00 H new ATOM 1351 N THR A 87 17.663 15.519 45.632 1.00 0.00 N ATOM 1352 CA THR A 87 19.100 15.480 45.387 1.00 0.00 C ATOM 1353 C THR A 87 19.428 16.163 44.066 1.00 0.00 C ATOM 1354 O THR A 87 18.823 15.865 43.036 1.00 0.00 O ATOM 1355 CB THR A 87 19.583 14.033 45.358 1.00 0.00 C ATOM 1356 OG1 THR A 87 19.053 13.323 46.466 1.00 0.00 O ATOM 1357 CG2 THR A 87 21.107 13.969 45.377 1.00 0.00 C ATOM 0 H THR A 87 17.095 15.191 44.851 1.00 0.00 H new ATOM 0 HA THR A 87 19.608 16.010 46.192 1.00 0.00 H new ATOM 0 HB THR A 87 19.232 13.572 44.435 1.00 0.00 H new ATOM 0 HG1 THR A 87 19.366 12.395 46.440 1.00 0.00 H new ATOM 0 HG21 THR A 87 21.428 12.927 45.356 1.00 0.00 H new ATOM 0 HG22 THR A 87 21.504 14.489 44.505 1.00 0.00 H new ATOM 0 HG23 THR A 87 21.480 14.445 46.284 1.00 0.00 H new ATOM 1365 N ILE A 88 20.389 17.079 44.102 1.00 0.00 N ATOM 1366 CA ILE A 88 20.799 17.806 42.905 1.00 0.00 C ATOM 1367 C ILE A 88 21.454 16.858 41.908 1.00 0.00 C ATOM 1368 O ILE A 88 22.513 16.292 42.178 1.00 0.00 O ATOM 1369 CB ILE A 88 21.769 18.921 43.283 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.122 19.871 44.288 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.221 19.685 42.043 1.00 0.00 C ATOM 1372 CD1 ILE A 88 19.931 20.601 43.673 1.00 0.00 C ATOM 0 H ILE A 88 20.899 17.336 44.947 1.00 0.00 H new ATOM 0 HA ILE A 88 19.916 18.244 42.440 1.00 0.00 H new ATOM 0 HB ILE A 88 22.647 18.470 43.746 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.795 19.310 45.164 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.859 20.597 44.632 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.912 20.476 42.335 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.720 19.001 41.356 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.354 20.125 41.550 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.492 21.270 44.414 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.265 21.181 42.813 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.184 19.874 43.353 1.00 0.00 H new ATOM 1384 N GLY A 89 20.815 16.688 40.755 1.00 0.00 N ATOM 1385 CA GLY A 89 21.332 15.806 39.713 1.00 0.00 C ATOM 1386 C GLY A 89 20.342 14.688 39.413 1.00 0.00 C ATOM 1387 O GLY A 89 20.735 13.550 39.157 1.00 0.00 O ATOM 0 H GLY A 89 19.937 17.150 40.518 1.00 0.00 H new ATOM 0 HA2 GLY A 89 21.525 16.380 38.807 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.284 15.380 40.030 1.00 0.00 H new ATOM 1391 N ALA A 90 19.054 15.017 39.445 1.00 0.00 N ATOM 1392 CA ALA A 90 18.005 14.039 39.176 1.00 0.00 C ATOM 1393 C ALA A 90 16.812 14.711 38.507 1.00 0.00 C ATOM 1394 O ALA A 90 16.763 15.935 38.388 1.00 0.00 O ATOM 1395 CB ALA A 90 17.564 13.376 40.478 1.00 0.00 C ATOM 0 H ALA A 90 18.711 15.955 39.655 1.00 0.00 H new ATOM 0 HA ALA A 90 18.402 13.278 38.503 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.781 12.647 40.268 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.415 12.872 40.936 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.181 14.134 41.161 1.00 0.00 H new ATOM 1401 N THR A 91 15.851 13.903 38.071 1.00 0.00 N ATOM 1402 CA THR A 91 14.655 14.421 37.412 1.00 0.00 C ATOM 1403 C THR A 91 13.418 14.138 38.256 1.00 0.00 C ATOM 1404 O THR A 91 13.161 12.995 38.633 1.00 0.00 O ATOM 1405 CB THR A 91 14.503 13.784 36.034 1.00 0.00 C ATOM 1406 OG1 THR A 91 15.647 14.061 35.241 1.00 0.00 O ATOM 1407 CG2 THR A 91 13.247 14.298 35.338 1.00 0.00 C ATOM 0 H THR A 91 15.876 12.887 38.162 1.00 0.00 H new ATOM 0 HA THR A 91 14.759 15.500 37.297 1.00 0.00 H new ATOM 0 HB THR A 91 14.410 12.705 36.161 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.542 13.647 34.359 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.158 13.831 34.357 1.00 0.00 H new ATOM 0 HG22 THR A 91 12.371 14.051 35.938 1.00 0.00 H new ATOM 0 HG23 THR A 91 13.313 15.380 35.220 1.00 0.00 H new ATOM 1415 N TYR A 92 12.655 15.187 38.549 1.00 0.00 N ATOM 1416 CA TYR A 92 11.441 15.054 39.350 1.00 0.00 C ATOM 1417 C TYR A 92 10.253 15.684 38.631 1.00 0.00 C ATOM 1418 O TYR A 92 10.328 16.823 38.170 1.00 0.00 O ATOM 1419 CB TYR A 92 11.635 15.724 40.708 1.00 0.00 C ATOM 1420 CG TYR A 92 12.817 15.183 41.472 1.00 0.00 C ATOM 1421 CD1 TYR A 92 12.833 13.860 41.879 1.00 0.00 C ATOM 1422 CD2 TYR A 92 13.886 16.010 41.772 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.918 13.365 42.584 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.970 15.513 42.476 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.981 14.193 42.879 1.00 0.00 C ATOM 1426 OH TYR A 92 16.059 13.700 43.579 1.00 0.00 O ATOM 0 H TYR A 92 12.856 16.139 38.244 1.00 0.00 H new ATOM 0 HA TYR A 92 11.239 13.993 39.497 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.765 16.796 40.562 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.733 15.590 41.304 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.000 13.214 41.647 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.875 17.043 41.457 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.931 12.333 42.902 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.805 16.157 42.709 1.00 0.00 H new ATOM 0 HH TYR A 92 16.166 12.745 43.385 1.00 0.00 H new ATOM 1436 N ALA A 93 9.156 14.936 38.544 1.00 0.00 N ATOM 1437 CA ALA A 93 7.943 15.418 37.887 1.00 0.00 C ATOM 1438 C ALA A 93 6.903 14.305 37.806 1.00 0.00 C ATOM 1439 O ALA A 93 7.160 13.173 38.213 1.00 0.00 O ATOM 1440 CB ALA A 93 8.267 15.928 36.487 1.00 0.00 C ATOM 0 H ALA A 93 9.082 13.991 38.921 1.00 0.00 H new ATOM 0 HA ALA A 93 7.535 16.238 38.477 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.354 16.284 36.009 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.984 16.746 36.555 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.695 15.119 35.895 1.00 0.00 H new ATOM 1446 N PRO A 94 5.707 14.618 37.277 1.00 0.00 N ATOM 1447 CA PRO A 94 4.619 13.640 37.144 1.00 0.00 C ATOM 1448 C PRO A 94 4.827 12.710 35.954 1.00 0.00 C ATOM 1449 O PRO A 94 4.590 13.149 34.808 1.00 0.00 O ATOM 1450 CB PRO A 94 3.377 14.496 36.948 1.00 0.00 C ATOM 1451 CG PRO A 94 3.865 15.789 36.374 1.00 0.00 C ATOM 1452 CD PRO A 94 5.316 15.945 36.770 1.00 0.00 C ATOM 0 HA PRO A 94 4.555 12.984 38.012 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.669 14.011 36.276 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.859 14.658 37.893 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.762 15.790 35.289 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.273 16.623 36.751 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.930 16.241 35.919 1.00 0.00 H new ATOM 0 HD3 PRO A 94 5.438 16.713 37.534 1.00 0.00 H new