USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 507 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 2 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0196) USER MOD Single : A 3 SER OG : rot 18:sc= 1.14 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0341 K(o=-0.034,f=-2.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 148:sc= 1.32 (180deg=1.05) USER MOD Single : A 25 SER OG : rot 41:sc= 1.23 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=-0.45) USER MOD Single : A 31 MET CE :methyl 179:sc= -0.0626 (180deg=-0.0649) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 34 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.33) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00615 K(o=-0.0062,f=-1) USER MOD Single : A 43 GLN : amide:sc= -0.0721 K(o=-0.072,f=-1.2) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 49 SER OG : rot 70:sc= 0.0749 USER MOD Single : A 56 CYS SG : rot -31:sc=-0.00815 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.420 33.020 14.785 1.00 0.00 N ATOM 2 CA PRO A 1 19.121 33.927 15.719 1.00 0.00 C ATOM 3 C PRO A 1 20.630 33.633 15.871 1.00 0.00 C ATOM 4 O PRO A 1 21.136 32.670 15.289 1.00 0.00 O ATOM 5 CB PRO A 1 18.353 33.854 17.048 1.00 0.00 C ATOM 6 CG PRO A 1 17.019 33.172 16.712 1.00 0.00 C ATOM 7 CD PRO A 1 17.012 33.156 15.189 1.00 0.00 C ATOM 0 H2 PRO A 1 18.748 32.058 14.875 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.563 33.294 13.813 1.00 0.00 H new ATOM 0 HA PRO A 1 19.118 34.943 15.323 1.00 0.00 H new ATOM 0 HB2 PRO A 1 18.909 33.284 17.792 1.00 0.00 H new ATOM 0 HB3 PRO A 1 18.192 34.849 17.464 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.966 32.165 17.126 1.00 0.00 H new ATOM 0 HG3 PRO A 1 16.171 33.727 17.113 1.00 0.00 H new ATOM 0 HD2 PRO A 1 16.414 32.328 14.809 1.00 0.00 H new ATOM 0 HD3 PRO A 1 16.577 34.072 14.790 1.00 0.00 H new ATOM 15 N LYS A 2 21.337 34.462 16.660 1.00 0.00 N ATOM 16 CA LYS A 2 22.780 34.350 16.999 1.00 0.00 C ATOM 17 C LYS A 2 23.031 34.474 18.512 1.00 0.00 C ATOM 18 O LYS A 2 23.860 35.267 18.964 1.00 0.00 O ATOM 19 CB LYS A 2 23.619 35.368 16.204 1.00 0.00 C ATOM 20 CG LYS A 2 23.509 35.182 14.690 1.00 0.00 C ATOM 21 CD LYS A 2 24.426 36.142 13.924 1.00 0.00 C ATOM 22 CE LYS A 2 24.076 36.182 12.431 1.00 0.00 C ATOM 23 NZ LYS A 2 24.184 34.857 11.788 1.00 0.00 N ATOM 0 H LYS A 2 20.902 35.271 17.104 1.00 0.00 H new ATOM 0 HA LYS A 2 23.102 33.350 16.706 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.299 36.377 16.465 1.00 0.00 H new ATOM 0 HB3 LYS A 2 24.664 35.279 16.500 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.764 34.154 14.432 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.477 35.342 14.379 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.340 37.143 14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 2 25.464 35.832 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.061 36.559 12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 2 24.739 36.883 11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.004 34.950 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.140 34.476 11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.484 34.210 12.205 1.00 0.00 H new ATOM 37 N SER A 3 22.273 33.698 19.283 1.00 0.00 N ATOM 38 CA SER A 3 22.348 33.610 20.746 1.00 0.00 C ATOM 39 C SER A 3 23.740 33.162 21.220 1.00 0.00 C ATOM 40 O SER A 3 24.537 32.623 20.451 1.00 0.00 O ATOM 41 CB SER A 3 21.254 32.652 21.231 1.00 0.00 C ATOM 42 OG SER A 3 21.009 32.772 22.618 1.00 0.00 O ATOM 0 H SER A 3 21.557 33.085 18.892 1.00 0.00 H new ATOM 0 HA SER A 3 22.186 34.599 21.176 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.333 32.850 20.684 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.546 31.627 21.004 1.00 0.00 H new ATOM 0 HG SER A 3 21.373 33.622 22.942 1.00 0.00 H new ATOM 48 N ARG A 4 24.066 33.405 22.490 1.00 0.00 N ATOM 49 CA ARG A 4 25.430 33.324 23.025 1.00 0.00 C ATOM 50 C ARG A 4 25.504 32.382 24.228 1.00 0.00 C ATOM 51 O ARG A 4 24.763 32.569 25.196 1.00 0.00 O ATOM 52 CB ARG A 4 25.868 34.741 23.419 1.00 0.00 C ATOM 53 CG ARG A 4 25.762 35.816 22.319 1.00 0.00 C ATOM 54 CD ARG A 4 26.248 37.145 22.906 1.00 0.00 C ATOM 55 NE ARG A 4 26.114 38.282 21.982 1.00 0.00 N ATOM 56 CZ ARG A 4 26.083 39.553 22.342 1.00 0.00 C ATOM 57 NH1 ARG A 4 26.150 39.954 23.576 1.00 0.00 N ATOM 58 NH2 ARG A 4 25.968 40.468 21.433 1.00 0.00 N ATOM 0 H ARG A 4 23.376 33.670 23.193 1.00 0.00 H new ATOM 0 HA ARG A 4 26.097 32.918 22.265 1.00 0.00 H new ATOM 0 HB2 ARG A 4 25.267 35.061 24.270 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.903 34.698 23.758 1.00 0.00 H new ATOM 0 HG2 ARG A 4 26.366 35.538 21.455 1.00 0.00 H new ATOM 0 HG3 ARG A 4 24.732 35.906 21.973 1.00 0.00 H new ATOM 0 HD2 ARG A 4 25.685 37.358 23.815 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.294 37.044 23.195 1.00 0.00 H new ATOM 0 HE ARG A 4 26.039 38.073 20.986 1.00 0.00 H new ATOM 0 HH11 ARG A 4 26.232 39.272 24.330 1.00 0.00 H new ATOM 0 HH12 ARG A 4 26.121 40.951 23.791 1.00 0.00 H new ATOM 0 HH21 ARG A 4 25.902 40.205 20.450 1.00 0.00 H new ATOM 0 HH22 ARG A 4 25.943 41.452 21.700 1.00 0.00 H new ATOM 72 N LEU A 5 26.401 31.394 24.162 1.00 0.00 N ATOM 73 CA LEU A 5 26.694 30.418 25.214 1.00 0.00 C ATOM 74 C LEU A 5 28.172 30.546 25.616 1.00 0.00 C ATOM 75 O LEU A 5 29.060 30.378 24.784 1.00 0.00 O ATOM 76 CB LEU A 5 26.360 29.007 24.676 1.00 0.00 C ATOM 77 CG LEU A 5 26.200 27.887 25.720 1.00 0.00 C ATOM 78 CD1 LEU A 5 25.800 26.587 25.023 1.00 0.00 C ATOM 79 CD2 LEU A 5 27.486 27.602 26.487 1.00 0.00 C ATOM 0 H LEU A 5 26.972 31.246 23.330 1.00 0.00 H new ATOM 0 HA LEU A 5 26.091 30.598 26.104 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.435 29.072 24.103 1.00 0.00 H new ATOM 0 HB3 LEU A 5 27.146 28.714 23.980 1.00 0.00 H new ATOM 0 HG LEU A 5 25.439 28.231 26.420 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.688 25.796 25.765 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.855 26.731 24.500 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.572 26.306 24.307 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.310 26.804 27.208 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.266 27.296 25.789 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.803 28.502 27.013 1.00 0.00 H new ATOM 91 N PHE A 6 28.446 30.788 26.893 1.00 0.00 N ATOM 92 CA PHE A 6 29.796 30.802 27.467 1.00 0.00 C ATOM 93 C PHE A 6 29.953 29.703 28.524 1.00 0.00 C ATOM 94 O PHE A 6 28.997 29.420 29.247 1.00 0.00 O ATOM 95 CB PHE A 6 30.035 32.191 28.055 1.00 0.00 C ATOM 96 CG PHE A 6 31.358 32.395 28.761 1.00 0.00 C ATOM 97 CD1 PHE A 6 31.472 32.113 30.137 1.00 0.00 C ATOM 98 CD2 PHE A 6 32.454 32.929 28.062 1.00 0.00 C ATOM 99 CE1 PHE A 6 32.673 32.386 30.813 1.00 0.00 C ATOM 100 CE2 PHE A 6 33.650 33.210 28.743 1.00 0.00 C ATOM 101 CZ PHE A 6 33.755 32.954 30.119 1.00 0.00 C ATOM 0 H PHE A 6 27.719 30.986 27.580 1.00 0.00 H new ATOM 0 HA PHE A 6 30.540 30.596 26.698 1.00 0.00 H new ATOM 0 HB2 PHE A 6 29.959 32.922 27.250 1.00 0.00 H new ATOM 0 HB3 PHE A 6 29.233 32.408 28.760 1.00 0.00 H new ATOM 0 HD1 PHE A 6 30.636 31.687 30.672 1.00 0.00 H new ATOM 0 HD2 PHE A 6 32.377 33.123 27.002 1.00 0.00 H new ATOM 0 HE1 PHE A 6 32.765 32.160 31.865 1.00 0.00 H new ATOM 0 HE2 PHE A 6 34.491 33.624 28.206 1.00 0.00 H new ATOM 0 HZ PHE A 6 34.668 33.194 30.645 1.00 0.00 H new ATOM 111 N ILE A 7 31.155 29.125 28.637 1.00 0.00 N ATOM 112 CA ILE A 7 31.533 28.116 29.635 1.00 0.00 C ATOM 113 C ILE A 7 32.911 28.450 30.231 1.00 0.00 C ATOM 114 O ILE A 7 33.838 28.809 29.504 1.00 0.00 O ATOM 115 CB ILE A 7 31.554 26.668 29.072 1.00 0.00 C ATOM 116 CG1 ILE A 7 30.512 26.329 27.979 1.00 0.00 C ATOM 117 CG2 ILE A 7 31.340 25.691 30.246 1.00 0.00 C ATOM 118 CD1 ILE A 7 30.939 26.719 26.554 1.00 0.00 C ATOM 0 H ILE A 7 31.924 29.357 28.009 1.00 0.00 H new ATOM 0 HA ILE A 7 30.764 28.149 30.407 1.00 0.00 H new ATOM 0 HB ILE A 7 32.523 26.575 28.582 1.00 0.00 H new ATOM 0 HG12 ILE A 7 30.311 25.258 28.005 1.00 0.00 H new ATOM 0 HG13 ILE A 7 29.576 26.835 28.216 1.00 0.00 H new ATOM 0 HG21 ILE A 7 31.351 24.667 29.874 1.00 0.00 H new ATOM 0 HG22 ILE A 7 32.138 25.820 30.977 1.00 0.00 H new ATOM 0 HG23 ILE A 7 30.379 25.895 30.719 1.00 0.00 H new ATOM 0 HD11 ILE A 7 30.152 26.446 25.851 1.00 0.00 H new ATOM 0 HD12 ILE A 7 31.111 27.794 26.507 1.00 0.00 H new ATOM 0 HD13 ILE A 7 31.857 26.193 26.292 1.00 0.00 H new ATOM 130 N GLY A 8 33.076 28.272 31.541 1.00 0.00 N ATOM 131 CA GLY A 8 34.343 28.440 32.252 1.00 0.00 C ATOM 132 C GLY A 8 34.715 27.254 33.133 1.00 0.00 C ATOM 133 O GLY A 8 33.847 26.567 33.673 1.00 0.00 O ATOM 0 H GLY A 8 32.309 27.999 32.155 1.00 0.00 H new ATOM 0 HA2 GLY A 8 35.138 28.604 31.525 1.00 0.00 H new ATOM 0 HA3 GLY A 8 34.286 29.336 32.870 1.00 0.00 H new ATOM 137 N ASN A 9 36.023 27.023 33.282 1.00 0.00 N ATOM 138 CA ASN A 9 36.595 25.955 34.108 1.00 0.00 C ATOM 139 C ASN A 9 36.099 24.547 33.713 1.00 0.00 C ATOM 140 O ASN A 9 35.871 23.701 34.580 1.00 0.00 O ATOM 141 CB ASN A 9 36.399 26.304 35.596 1.00 0.00 C ATOM 142 CG ASN A 9 36.978 27.654 35.964 1.00 0.00 C ATOM 143 OD1 ASN A 9 36.264 28.625 36.172 1.00 0.00 O ATOM 144 ND2 ASN A 9 38.279 27.760 36.037 1.00 0.00 N ATOM 0 H ASN A 9 36.733 27.590 32.818 1.00 0.00 H new ATOM 0 HA ASN A 9 37.667 25.900 33.921 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.334 26.295 35.829 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.866 25.534 36.210 1.00 0.00 H new ATOM 0 HD21 ASN A 9 38.705 28.657 36.269 1.00 0.00 H new ATOM 0 HD22 ASN A 9 38.868 26.946 35.862 1.00 0.00 H new ATOM 151 N LEU A 10 35.901 24.312 32.408 1.00 0.00 N ATOM 152 CA LEU A 10 35.453 23.039 31.821 1.00 0.00 C ATOM 153 C LEU A 10 36.277 22.650 30.574 1.00 0.00 C ATOM 154 O LEU A 10 36.857 21.560 30.602 1.00 0.00 O ATOM 155 CB LEU A 10 33.920 23.066 31.604 1.00 0.00 C ATOM 156 CG LEU A 10 33.266 21.722 31.201 1.00 0.00 C ATOM 157 CD1 LEU A 10 31.744 21.815 31.355 1.00 0.00 C ATOM 158 CD2 LEU A 10 33.516 21.310 29.745 1.00 0.00 C ATOM 0 H LEU A 10 36.055 25.033 31.703 1.00 0.00 H new ATOM 0 HA LEU A 10 35.648 22.230 32.525 1.00 0.00 H new ATOM 0 HB2 LEU A 10 33.449 23.415 32.523 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.696 23.802 30.832 1.00 0.00 H new ATOM 0 HG LEU A 10 33.722 20.983 31.860 1.00 0.00 H new ATOM 0 HD11 LEU A 10 31.291 20.866 31.070 1.00 0.00 H new ATOM 0 HD12 LEU A 10 31.496 22.038 32.393 1.00 0.00 H new ATOM 0 HD13 LEU A 10 31.361 22.608 30.712 1.00 0.00 H new ATOM 0 HD21 LEU A 10 33.023 20.358 29.547 1.00 0.00 H new ATOM 0 HD22 LEU A 10 33.115 22.072 29.077 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.588 21.206 29.575 1.00 0.00 H new ATOM 170 N PRO A 11 36.394 23.470 29.504 1.00 0.00 N ATOM 171 CA PRO A 11 37.180 23.105 28.319 1.00 0.00 C ATOM 172 C PRO A 11 38.692 23.206 28.589 1.00 0.00 C ATOM 173 O PRO A 11 39.277 24.292 28.549 1.00 0.00 O ATOM 174 CB PRO A 11 36.697 24.033 27.201 1.00 0.00 C ATOM 175 CG PRO A 11 36.262 25.282 27.961 1.00 0.00 C ATOM 176 CD PRO A 11 35.683 24.720 29.254 1.00 0.00 C ATOM 0 HA PRO A 11 37.031 22.064 28.033 1.00 0.00 H new ATOM 0 HB2 PRO A 11 37.490 24.251 26.486 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.873 23.594 26.639 1.00 0.00 H new ATOM 0 HG2 PRO A 11 37.102 25.949 28.153 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.521 25.855 27.404 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.821 25.419 30.079 1.00 0.00 H new ATOM 0 HD3 PRO A 11 34.611 24.547 29.158 1.00 0.00 H new ATOM 184 N LEU A 12 39.302 22.048 28.862 1.00 0.00 N ATOM 185 CA LEU A 12 40.712 21.831 29.238 1.00 0.00 C ATOM 186 C LEU A 12 41.324 20.635 28.464 1.00 0.00 C ATOM 187 O LEU A 12 42.283 19.993 28.908 1.00 0.00 O ATOM 188 CB LEU A 12 40.798 21.650 30.771 1.00 0.00 C ATOM 189 CG LEU A 12 40.575 22.938 31.588 1.00 0.00 C ATOM 190 CD1 LEU A 12 40.389 22.618 33.070 1.00 0.00 C ATOM 191 CD2 LEU A 12 41.775 23.881 31.473 1.00 0.00 C ATOM 0 H LEU A 12 38.788 21.168 28.824 1.00 0.00 H new ATOM 0 HA LEU A 12 41.306 22.702 28.959 1.00 0.00 H new ATOM 0 HB2 LEU A 12 40.059 20.910 31.077 1.00 0.00 H new ATOM 0 HB3 LEU A 12 41.778 21.244 31.020 1.00 0.00 H new ATOM 0 HG LEU A 12 39.681 23.413 31.184 1.00 0.00 H new ATOM 0 HD11 LEU A 12 40.233 23.543 33.625 1.00 0.00 H new ATOM 0 HD12 LEU A 12 39.522 21.969 33.196 1.00 0.00 H new ATOM 0 HD13 LEU A 12 41.278 22.113 33.448 1.00 0.00 H new ATOM 0 HD21 LEU A 12 41.588 24.781 32.060 1.00 0.00 H new ATOM 0 HD22 LEU A 12 42.668 23.381 31.849 1.00 0.00 H new ATOM 0 HD23 LEU A 12 41.925 24.154 30.428 1.00 0.00 H new ATOM 203 N LYS A 13 40.737 20.316 27.308 1.00 0.00 N ATOM 204 CA LYS A 13 41.122 19.257 26.364 1.00 0.00 C ATOM 205 C LYS A 13 41.017 19.804 24.933 1.00 0.00 C ATOM 206 O LYS A 13 40.333 20.808 24.716 1.00 0.00 O ATOM 207 CB LYS A 13 40.198 18.042 26.600 1.00 0.00 C ATOM 208 CG LYS A 13 40.583 16.747 25.860 1.00 0.00 C ATOM 209 CD LYS A 13 41.907 16.149 26.354 1.00 0.00 C ATOM 210 CE LYS A 13 42.341 15.003 25.439 1.00 0.00 C ATOM 211 NZ LYS A 13 43.548 14.334 25.972 1.00 0.00 N ATOM 0 H LYS A 13 39.918 20.828 26.980 1.00 0.00 H new ATOM 0 HA LYS A 13 42.152 18.935 26.516 1.00 0.00 H new ATOM 0 HB2 LYS A 13 40.173 17.832 27.669 1.00 0.00 H new ATOM 0 HB3 LYS A 13 39.186 18.318 26.305 1.00 0.00 H new ATOM 0 HG2 LYS A 13 39.788 16.012 25.987 1.00 0.00 H new ATOM 0 HG3 LYS A 13 40.659 16.953 24.792 1.00 0.00 H new ATOM 0 HD2 LYS A 13 42.678 16.920 26.375 1.00 0.00 H new ATOM 0 HD3 LYS A 13 41.792 15.786 27.375 1.00 0.00 H new ATOM 0 HE2 LYS A 13 41.531 14.280 25.345 1.00 0.00 H new ATOM 0 HE3 LYS A 13 42.544 15.387 24.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 43.825 13.560 25.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 44.325 15.022 26.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 43.343 13.950 26.916 1.00 0.00 H new ATOM 225 N ASN A 14 41.655 19.168 23.948 1.00 0.00 N ATOM 226 CA ASN A 14 41.415 19.483 22.538 1.00 0.00 C ATOM 227 C ASN A 14 39.918 19.327 22.212 1.00 0.00 C ATOM 228 O ASN A 14 39.283 18.334 22.576 1.00 0.00 O ATOM 229 CB ASN A 14 42.302 18.598 21.647 1.00 0.00 C ATOM 230 CG ASN A 14 42.217 18.902 20.159 1.00 0.00 C ATOM 231 OD1 ASN A 14 41.559 19.826 19.701 1.00 0.00 O ATOM 232 ND2 ASN A 14 42.911 18.129 19.363 1.00 0.00 N ATOM 0 H ASN A 14 42.343 18.431 24.101 1.00 0.00 H new ATOM 0 HA ASN A 14 41.684 20.520 22.339 1.00 0.00 H new ATOM 0 HB2 ASN A 14 43.338 18.707 21.967 1.00 0.00 H new ATOM 0 HB3 ASN A 14 42.027 17.555 21.807 1.00 0.00 H new ATOM 0 HD21 ASN A 14 42.905 18.296 18.357 1.00 0.00 H new ATOM 0 HD22 ASN A 14 43.458 17.360 19.749 1.00 0.00 H new ATOM 239 N VAL A 15 39.361 20.333 21.546 1.00 0.00 N ATOM 240 CA VAL A 15 37.965 20.391 21.116 1.00 0.00 C ATOM 241 C VAL A 15 37.870 21.192 19.816 1.00 0.00 C ATOM 242 O VAL A 15 38.485 22.258 19.681 1.00 0.00 O ATOM 243 CB VAL A 15 37.072 20.948 22.250 1.00 0.00 C ATOM 244 CG1 VAL A 15 37.405 22.385 22.670 1.00 0.00 C ATOM 245 CG2 VAL A 15 35.583 20.870 21.905 1.00 0.00 C ATOM 0 H VAL A 15 39.889 21.164 21.280 1.00 0.00 H new ATOM 0 HA VAL A 15 37.590 19.389 20.905 1.00 0.00 H new ATOM 0 HB VAL A 15 37.293 20.298 23.096 1.00 0.00 H new ATOM 0 HG11 VAL A 15 36.732 22.696 23.469 1.00 0.00 H new ATOM 0 HG12 VAL A 15 38.435 22.431 23.025 1.00 0.00 H new ATOM 0 HG13 VAL A 15 37.286 23.051 21.815 1.00 0.00 H new ATOM 0 HG21 VAL A 15 34.997 21.272 22.731 1.00 0.00 H new ATOM 0 HG22 VAL A 15 35.387 21.451 21.004 1.00 0.00 H new ATOM 0 HG23 VAL A 15 35.303 19.831 21.734 1.00 0.00 H new ATOM 255 N SER A 16 37.104 20.670 18.861 1.00 0.00 N ATOM 256 CA SER A 16 36.746 21.332 17.598 1.00 0.00 C ATOM 257 C SER A 16 35.228 21.521 17.515 1.00 0.00 C ATOM 258 O SER A 16 34.485 20.904 18.287 1.00 0.00 O ATOM 259 CB SER A 16 37.239 20.510 16.403 1.00 0.00 C ATOM 260 OG SER A 16 38.624 20.214 16.486 1.00 0.00 O ATOM 0 H SER A 16 36.697 19.738 18.944 1.00 0.00 H new ATOM 0 HA SER A 16 37.228 22.309 17.570 1.00 0.00 H new ATOM 0 HB2 SER A 16 36.674 19.580 16.347 1.00 0.00 H new ATOM 0 HB3 SER A 16 37.042 21.058 15.482 1.00 0.00 H new ATOM 0 HG SER A 16 38.893 19.688 15.705 1.00 0.00 H new ATOM 266 N LYS A 17 34.741 22.333 16.566 1.00 0.00 N ATOM 267 CA LYS A 17 33.299 22.591 16.390 1.00 0.00 C ATOM 268 C LYS A 17 32.479 21.308 16.230 1.00 0.00 C ATOM 269 O LYS A 17 31.362 21.235 16.727 1.00 0.00 O ATOM 270 CB LYS A 17 33.044 23.600 15.252 1.00 0.00 C ATOM 271 CG LYS A 17 33.363 23.095 13.835 1.00 0.00 C ATOM 272 CD LYS A 17 32.987 24.162 12.793 1.00 0.00 C ATOM 273 CE LYS A 17 33.297 23.774 11.344 1.00 0.00 C ATOM 274 NZ LYS A 17 32.701 22.468 10.991 1.00 0.00 N ATOM 0 H LYS A 17 35.331 22.830 15.899 1.00 0.00 H new ATOM 0 HA LYS A 17 32.946 23.049 17.314 1.00 0.00 H new ATOM 0 HB2 LYS A 17 31.997 23.901 15.284 1.00 0.00 H new ATOM 0 HB3 LYS A 17 33.638 24.494 15.443 1.00 0.00 H new ATOM 0 HG2 LYS A 17 34.424 22.857 13.756 1.00 0.00 H new ATOM 0 HG3 LYS A 17 32.814 22.174 13.637 1.00 0.00 H new ATOM 0 HD2 LYS A 17 31.921 24.375 12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 17 33.517 25.085 13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 17 32.916 24.542 10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 17 34.377 23.732 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 32.442 22.466 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 33.391 21.711 11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 31.851 22.307 11.568 1.00 0.00 H new ATOM 288 N GLU A 18 33.059 20.272 15.633 1.00 0.00 N ATOM 289 CA GLU A 18 32.439 18.960 15.433 1.00 0.00 C ATOM 290 C GLU A 18 32.160 18.196 16.739 1.00 0.00 C ATOM 291 O GLU A 18 31.174 17.460 16.796 1.00 0.00 O ATOM 292 CB GLU A 18 33.351 18.091 14.554 1.00 0.00 C ATOM 293 CG GLU A 18 33.525 18.590 13.109 1.00 0.00 C ATOM 294 CD GLU A 18 34.450 19.807 12.975 1.00 0.00 C ATOM 295 OE1 GLU A 18 35.265 20.074 13.891 1.00 0.00 O ATOM 296 OE2 GLU A 18 34.380 20.511 11.945 1.00 0.00 O ATOM 0 H GLU A 18 34.007 20.321 15.261 1.00 0.00 H new ATOM 0 HA GLU A 18 31.477 19.152 14.957 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.333 18.031 15.023 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.948 17.079 14.527 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.921 17.777 12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.546 18.845 12.703 1.00 0.00 H new ATOM 303 N ASP A 19 32.986 18.370 17.780 1.00 0.00 N ATOM 304 CA ASP A 19 32.829 17.686 19.073 1.00 0.00 C ATOM 305 C ASP A 19 31.699 18.324 19.894 1.00 0.00 C ATOM 306 O ASP A 19 30.769 17.652 20.338 1.00 0.00 O ATOM 307 CB ASP A 19 34.133 17.750 19.884 1.00 0.00 C ATOM 308 CG ASP A 19 35.298 16.982 19.266 1.00 0.00 C ATOM 309 OD1 ASP A 19 35.202 15.742 19.075 1.00 0.00 O ATOM 310 OD2 ASP A 19 36.342 17.615 18.984 1.00 0.00 O ATOM 0 H ASP A 19 33.791 18.996 17.749 1.00 0.00 H new ATOM 0 HA ASP A 19 32.581 16.645 18.866 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.423 18.794 20.001 1.00 0.00 H new ATOM 0 HB3 ASP A 19 33.945 17.358 20.883 1.00 0.00 H new ATOM 315 N LEU A 20 31.734 19.650 20.045 1.00 0.00 N ATOM 316 CA LEU A 20 30.663 20.387 20.721 1.00 0.00 C ATOM 317 C LEU A 20 29.344 20.333 19.933 1.00 0.00 C ATOM 318 O LEU A 20 28.274 20.299 20.538 1.00 0.00 O ATOM 319 CB LEU A 20 31.141 21.803 21.081 1.00 0.00 C ATOM 320 CG LEU A 20 31.619 22.661 19.896 1.00 0.00 C ATOM 321 CD1 LEU A 20 30.486 23.461 19.247 1.00 0.00 C ATOM 322 CD2 LEU A 20 32.677 23.635 20.397 1.00 0.00 C ATOM 0 H LEU A 20 32.496 20.238 19.707 1.00 0.00 H new ATOM 0 HA LEU A 20 30.428 19.898 21.666 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.326 22.327 21.581 1.00 0.00 H new ATOM 0 HB3 LEU A 20 31.956 21.721 21.800 1.00 0.00 H new ATOM 0 HG LEU A 20 32.017 21.984 19.140 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.883 24.047 18.418 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.724 22.776 18.876 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.044 24.130 19.985 1.00 0.00 H new ATOM 0 HD21 LEU A 20 33.026 24.251 19.568 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.247 24.274 21.168 1.00 0.00 H new ATOM 0 HD23 LEU A 20 33.516 23.078 20.814 1.00 0.00 H new ATOM 334 N PHE A 21 29.397 20.236 18.601 1.00 0.00 N ATOM 335 CA PHE A 21 28.208 20.031 17.780 1.00 0.00 C ATOM 336 C PHE A 21 27.623 18.629 17.964 1.00 0.00 C ATOM 337 O PHE A 21 26.411 18.518 18.163 1.00 0.00 O ATOM 338 CB PHE A 21 28.515 20.325 16.307 1.00 0.00 C ATOM 339 CG PHE A 21 27.352 20.130 15.354 1.00 0.00 C ATOM 340 CD1 PHE A 21 26.092 20.688 15.646 1.00 0.00 C ATOM 341 CD2 PHE A 21 27.536 19.418 14.153 1.00 0.00 C ATOM 342 CE1 PHE A 21 25.029 20.545 14.742 1.00 0.00 C ATOM 343 CE2 PHE A 21 26.467 19.270 13.252 1.00 0.00 C ATOM 344 CZ PHE A 21 25.215 19.835 13.544 1.00 0.00 C ATOM 0 H PHE A 21 30.264 20.298 18.067 1.00 0.00 H new ATOM 0 HA PHE A 21 27.446 20.735 18.115 1.00 0.00 H new ATOM 0 HB2 PHE A 21 28.864 21.354 16.224 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.337 19.683 15.989 1.00 0.00 H new ATOM 0 HD1 PHE A 21 25.944 21.228 16.569 1.00 0.00 H new ATOM 0 HD2 PHE A 21 28.499 18.985 13.924 1.00 0.00 H new ATOM 0 HE1 PHE A 21 24.067 20.981 14.967 1.00 0.00 H new ATOM 0 HE2 PHE A 21 26.609 18.721 12.333 1.00 0.00 H new ATOM 0 HZ PHE A 21 24.396 19.724 12.849 1.00 0.00 H new ATOM 354 N ARG A 22 28.436 17.558 17.963 1.00 0.00 N ATOM 355 CA ARG A 22 27.901 16.198 18.157 1.00 0.00 C ATOM 356 C ARG A 22 27.290 16.010 19.543 1.00 0.00 C ATOM 357 O ARG A 22 26.224 15.405 19.645 1.00 0.00 O ATOM 358 CB ARG A 22 28.922 15.103 17.797 1.00 0.00 C ATOM 359 CG ARG A 22 29.974 14.803 18.871 1.00 0.00 C ATOM 360 CD ARG A 22 30.926 13.679 18.480 1.00 0.00 C ATOM 361 NE ARG A 22 30.236 12.389 18.339 1.00 0.00 N ATOM 362 CZ ARG A 22 30.794 11.261 17.960 1.00 0.00 C ATOM 363 NH1 ARG A 22 32.069 11.147 17.744 1.00 0.00 N ATOM 364 NH2 ARG A 22 30.050 10.213 17.799 1.00 0.00 N ATOM 0 H ARG A 22 29.447 17.604 17.833 1.00 0.00 H new ATOM 0 HA ARG A 22 27.082 16.083 17.447 1.00 0.00 H new ATOM 0 HB2 ARG A 22 28.380 14.183 17.577 1.00 0.00 H new ATOM 0 HB3 ARG A 22 29.436 15.397 16.882 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.550 15.707 19.068 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.470 14.537 19.800 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.416 13.931 17.540 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.709 13.590 19.233 1.00 0.00 H new ATOM 0 HE ARG A 22 29.239 12.367 18.554 1.00 0.00 H new ATOM 0 HH11 ARG A 22 32.681 11.953 17.868 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.458 10.251 17.451 1.00 0.00 H new ATOM 0 HH21 ARG A 22 29.045 10.270 17.966 1.00 0.00 H new ATOM 0 HH22 ARG A 22 30.469 9.331 17.505 1.00 0.00 H new ATOM 378 N ILE A 23 27.906 16.573 20.590 1.00 0.00 N ATOM 379 CA ILE A 23 27.394 16.422 21.957 1.00 0.00 C ATOM 380 C ILE A 23 26.175 17.313 22.227 1.00 0.00 C ATOM 381 O ILE A 23 25.233 16.831 22.852 1.00 0.00 O ATOM 382 CB ILE A 23 28.492 16.532 23.039 1.00 0.00 C ATOM 383 CG1 ILE A 23 29.141 17.927 23.156 1.00 0.00 C ATOM 384 CG2 ILE A 23 29.570 15.463 22.814 1.00 0.00 C ATOM 385 CD1 ILE A 23 28.633 18.713 24.367 1.00 0.00 C ATOM 0 H ILE A 23 28.755 17.134 20.517 1.00 0.00 H new ATOM 0 HA ILE A 23 27.034 15.396 22.032 1.00 0.00 H new ATOM 0 HB ILE A 23 27.984 16.364 23.989 1.00 0.00 H new ATOM 0 HG12 ILE A 23 30.223 17.815 23.228 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.939 18.495 22.248 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.337 15.552 23.583 1.00 0.00 H new ATOM 0 HG22 ILE A 23 29.117 14.473 22.866 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.023 15.604 21.832 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.123 19.686 24.400 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.555 18.852 24.285 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.859 18.162 25.280 1.00 0.00 H new ATOM 397 N PHE A 24 26.120 18.553 21.717 1.00 0.00 N ATOM 398 CA PHE A 24 24.963 19.441 21.916 1.00 0.00 C ATOM 399 C PHE A 24 23.852 19.332 20.856 1.00 0.00 C ATOM 400 O PHE A 24 22.808 19.948 21.043 1.00 0.00 O ATOM 401 CB PHE A 24 25.401 20.903 22.115 1.00 0.00 C ATOM 402 CG PHE A 24 26.126 21.214 23.413 1.00 0.00 C ATOM 403 CD1 PHE A 24 25.570 20.825 24.651 1.00 0.00 C ATOM 404 CD2 PHE A 24 27.319 21.963 23.396 1.00 0.00 C ATOM 405 CE1 PHE A 24 26.210 21.169 25.855 1.00 0.00 C ATOM 406 CE2 PHE A 24 27.953 22.315 24.603 1.00 0.00 C ATOM 407 CZ PHE A 24 27.400 21.917 25.832 1.00 0.00 C ATOM 0 H PHE A 24 26.868 18.966 21.160 1.00 0.00 H new ATOM 0 HA PHE A 24 24.502 19.076 22.834 1.00 0.00 H new ATOM 0 HB2 PHE A 24 26.049 21.183 21.285 1.00 0.00 H new ATOM 0 HB3 PHE A 24 24.516 21.537 22.056 1.00 0.00 H new ATOM 0 HD1 PHE A 24 24.649 20.261 24.673 1.00 0.00 H new ATOM 0 HD2 PHE A 24 27.749 22.268 22.454 1.00 0.00 H new ATOM 0 HE1 PHE A 24 25.787 20.858 26.799 1.00 0.00 H new ATOM 0 HE2 PHE A 24 28.866 22.892 24.584 1.00 0.00 H new ATOM 0 HZ PHE A 24 27.888 22.185 26.757 1.00 0.00 H new ATOM 417 N SER A 25 23.996 18.542 19.786 1.00 0.00 N ATOM 418 CA SER A 25 22.987 18.440 18.708 1.00 0.00 C ATOM 419 C SER A 25 21.530 18.235 19.169 1.00 0.00 C ATOM 420 O SER A 25 20.681 19.010 18.730 1.00 0.00 O ATOM 421 CB SER A 25 23.360 17.333 17.721 1.00 0.00 C ATOM 422 OG SER A 25 24.295 17.823 16.778 1.00 0.00 O ATOM 0 H SER A 25 24.814 17.952 19.636 1.00 0.00 H new ATOM 0 HA SER A 25 23.011 19.421 18.233 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.782 16.483 18.257 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.467 16.975 17.208 1.00 0.00 H new ATOM 0 HG SER A 25 24.948 18.395 17.232 1.00 0.00 H new ATOM 428 N PRO A 26 21.194 17.284 20.067 1.00 0.00 N ATOM 429 CA PRO A 26 19.825 17.164 20.587 1.00 0.00 C ATOM 430 C PRO A 26 19.460 18.242 21.626 1.00 0.00 C ATOM 431 O PRO A 26 18.283 18.529 21.844 1.00 0.00 O ATOM 432 CB PRO A 26 19.742 15.755 21.175 1.00 0.00 C ATOM 433 CG PRO A 26 21.180 15.424 21.566 1.00 0.00 C ATOM 434 CD PRO A 26 22.017 16.171 20.528 1.00 0.00 C ATOM 0 HA PRO A 26 19.100 17.323 19.789 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.078 15.723 22.038 1.00 0.00 H new ATOM 0 HB3 PRO A 26 19.354 15.043 20.447 1.00 0.00 H new ATOM 0 HG2 PRO A 26 21.407 15.757 22.579 1.00 0.00 H new ATOM 0 HG3 PRO A 26 21.367 14.351 21.534 1.00 0.00 H new ATOM 0 HD2 PRO A 26 22.949 16.530 20.965 1.00 0.00 H new ATOM 0 HD3 PRO A 26 22.285 15.516 19.699 1.00 0.00 H new ATOM 442 N TYR A 27 20.451 18.885 22.244 1.00 0.00 N ATOM 443 CA TYR A 27 20.255 19.957 23.223 1.00 0.00 C ATOM 444 C TYR A 27 19.894 21.289 22.542 1.00 0.00 C ATOM 445 O TYR A 27 19.129 22.070 23.112 1.00 0.00 O ATOM 446 CB TYR A 27 21.505 20.110 24.110 1.00 0.00 C ATOM 447 CG TYR A 27 21.945 18.870 24.884 1.00 0.00 C ATOM 448 CD1 TYR A 27 22.532 17.776 24.219 1.00 0.00 C ATOM 449 CD2 TYR A 27 21.804 18.815 26.283 1.00 0.00 C ATOM 450 CE1 TYR A 27 22.941 16.637 24.934 1.00 0.00 C ATOM 451 CE2 TYR A 27 22.230 17.685 27.007 1.00 0.00 C ATOM 452 CZ TYR A 27 22.799 16.589 26.334 1.00 0.00 C ATOM 453 OH TYR A 27 23.224 15.502 27.027 1.00 0.00 O ATOM 0 H TYR A 27 21.434 18.671 22.075 1.00 0.00 H new ATOM 0 HA TYR A 27 19.413 19.681 23.857 1.00 0.00 H new ATOM 0 HB2 TYR A 27 22.334 20.431 23.479 1.00 0.00 H new ATOM 0 HB3 TYR A 27 21.320 20.911 24.825 1.00 0.00 H new ATOM 0 HD1 TYR A 27 22.669 17.813 23.148 1.00 0.00 H new ATOM 0 HD2 TYR A 27 21.364 19.650 26.808 1.00 0.00 H new ATOM 0 HE1 TYR A 27 23.366 15.795 24.407 1.00 0.00 H new ATOM 0 HE2 TYR A 27 22.120 17.660 28.081 1.00 0.00 H new ATOM 0 HH TYR A 27 23.051 15.635 27.982 1.00 0.00 H new ATOM 463 N GLY A 28 20.390 21.534 21.319 1.00 0.00 N ATOM 464 CA GLY A 28 20.078 22.752 20.576 1.00 0.00 C ATOM 465 C GLY A 28 20.708 22.920 19.186 1.00 0.00 C ATOM 466 O GLY A 28 21.378 22.032 18.654 1.00 0.00 O ATOM 0 H GLY A 28 21.013 20.895 20.826 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.995 22.808 20.463 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.379 23.604 21.186 1.00 0.00 H new ATOM 470 N HIS A 29 20.472 24.091 18.586 1.00 0.00 N ATOM 471 CA HIS A 29 20.587 24.307 17.134 1.00 0.00 C ATOM 472 C HIS A 29 21.960 24.780 16.616 1.00 0.00 C ATOM 473 O HIS A 29 22.227 24.567 15.437 1.00 0.00 O ATOM 474 CB HIS A 29 19.443 25.231 16.677 1.00 0.00 C ATOM 475 CG HIS A 29 18.048 24.655 16.792 1.00 0.00 C ATOM 476 ND1 HIS A 29 17.650 23.583 17.599 1.00 0.00 N ATOM 477 CD2 HIS A 29 16.954 25.108 16.114 1.00 0.00 C ATOM 478 CE1 HIS A 29 16.328 23.440 17.415 1.00 0.00 C ATOM 479 NE2 HIS A 29 15.888 24.333 16.512 1.00 0.00 N ATOM 0 H HIS A 29 20.192 24.928 19.098 1.00 0.00 H new ATOM 0 HA HIS A 29 20.497 23.322 16.676 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.486 26.149 17.263 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.617 25.508 15.637 1.00 0.00 H new ATOM 0 HD2 HIS A 29 16.929 25.919 15.402 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.708 22.713 17.919 1.00 0.00 H new ATOM 0 HE2 HIS A 29 14.928 24.421 16.179 1.00 0.00 H new ATOM 487 N ILE A 30 22.844 25.316 17.473 1.00 0.00 N ATOM 488 CA ILE A 30 24.245 25.731 17.184 1.00 0.00 C ATOM 489 C ILE A 30 24.403 26.860 16.131 1.00 0.00 C ATOM 490 O ILE A 30 23.539 27.062 15.284 1.00 0.00 O ATOM 491 CB ILE A 30 25.125 24.472 16.907 1.00 0.00 C ATOM 492 CG1 ILE A 30 26.362 24.363 17.827 1.00 0.00 C ATOM 493 CG2 ILE A 30 25.525 24.287 15.430 1.00 0.00 C ATOM 494 CD1 ILE A 30 27.505 25.355 17.577 1.00 0.00 C ATOM 0 H ILE A 30 22.594 25.485 18.447 1.00 0.00 H new ATOM 0 HA ILE A 30 24.619 26.218 18.085 1.00 0.00 H new ATOM 0 HB ILE A 30 24.459 23.645 17.156 1.00 0.00 H new ATOM 0 HG12 ILE A 30 26.029 24.483 18.858 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.764 23.354 17.737 1.00 0.00 H new ATOM 0 HG21 ILE A 30 26.135 23.389 15.328 1.00 0.00 H new ATOM 0 HG22 ILE A 30 24.627 24.188 14.820 1.00 0.00 H new ATOM 0 HG23 ILE A 30 26.096 25.153 15.097 1.00 0.00 H new ATOM 0 HD11 ILE A 30 28.309 25.171 18.289 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.883 25.227 16.563 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.137 26.373 17.701 1.00 0.00 H new ATOM 506 N MET A 31 25.512 27.611 16.172 1.00 0.00 N ATOM 507 CA MET A 31 25.967 28.526 15.109 1.00 0.00 C ATOM 508 C MET A 31 27.492 28.462 14.897 1.00 0.00 C ATOM 509 O MET A 31 27.911 27.905 13.883 1.00 0.00 O ATOM 510 CB MET A 31 25.484 29.979 15.330 1.00 0.00 C ATOM 511 CG MET A 31 24.115 30.250 14.700 1.00 0.00 C ATOM 512 SD MET A 31 24.110 30.167 12.886 1.00 0.00 S ATOM 513 CE MET A 31 22.451 29.495 12.608 1.00 0.00 C ATOM 0 H MET A 31 26.142 27.600 16.974 1.00 0.00 H new ATOM 0 HA MET A 31 25.500 28.175 14.189 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.433 30.182 16.400 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.216 30.669 14.909 1.00 0.00 H new ATOM 0 HG2 MET A 31 23.398 29.527 15.089 1.00 0.00 H new ATOM 0 HG3 MET A 31 23.773 31.237 15.010 1.00 0.00 H new ATOM 0 HE1 MET A 31 22.273 29.396 11.537 1.00 0.00 H new ATOM 0 HE2 MET A 31 22.371 28.516 13.081 1.00 0.00 H new ATOM 0 HE3 MET A 31 21.709 30.168 13.038 1.00 0.00 H new ATOM 523 N GLN A 32 28.305 29.002 15.819 1.00 0.00 N ATOM 524 CA GLN A 32 29.762 29.249 15.672 1.00 0.00 C ATOM 525 C GLN A 32 30.533 28.989 16.983 1.00 0.00 C ATOM 526 O GLN A 32 29.912 28.812 18.029 1.00 0.00 O ATOM 527 CB GLN A 32 30.024 30.704 15.225 1.00 0.00 C ATOM 528 CG GLN A 32 29.376 31.079 13.886 1.00 0.00 C ATOM 529 CD GLN A 32 29.614 32.530 13.480 1.00 0.00 C ATOM 530 OE1 GLN A 32 30.245 33.334 14.166 1.00 0.00 O ATOM 531 NE2 GLN A 32 29.077 32.939 12.356 1.00 0.00 N ATOM 0 H GLN A 32 27.956 29.294 16.732 1.00 0.00 H new ATOM 0 HA GLN A 32 30.120 28.552 14.915 1.00 0.00 H new ATOM 0 HB2 GLN A 32 29.655 31.381 15.996 1.00 0.00 H new ATOM 0 HB3 GLN A 32 31.100 30.861 15.151 1.00 0.00 H new ATOM 0 HG2 GLN A 32 29.765 30.424 13.107 1.00 0.00 H new ATOM 0 HG3 GLN A 32 28.303 30.899 13.948 1.00 0.00 H new ATOM 0 HE21 GLN A 32 28.551 32.286 11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 32 29.186 33.910 12.063 1.00 0.00 H new ATOM 540 N ILE A 33 31.874 29.002 16.967 1.00 0.00 N ATOM 541 CA ILE A 33 32.730 28.693 18.132 1.00 0.00 C ATOM 542 C ILE A 33 33.846 29.726 18.363 1.00 0.00 C ATOM 543 O ILE A 33 34.353 30.314 17.411 1.00 0.00 O ATOM 544 CB ILE A 33 33.323 27.264 18.037 1.00 0.00 C ATOM 545 CG1 ILE A 33 34.447 27.080 16.986 1.00 0.00 C ATOM 546 CG2 ILE A 33 32.206 26.241 17.773 1.00 0.00 C ATOM 547 CD1 ILE A 33 35.390 25.923 17.341 1.00 0.00 C ATOM 0 H ILE A 33 32.409 29.232 16.129 1.00 0.00 H new ATOM 0 HA ILE A 33 32.073 28.744 19.000 1.00 0.00 H new ATOM 0 HB ILE A 33 33.794 27.095 19.005 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.001 26.896 16.008 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.021 28.003 16.906 1.00 0.00 H new ATOM 0 HG21 ILE A 33 32.636 25.241 17.708 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.483 26.273 18.588 1.00 0.00 H new ATOM 0 HG23 ILE A 33 31.706 26.482 16.835 1.00 0.00 H new ATOM 0 HD11 ILE A 33 36.161 25.834 16.575 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.858 26.118 18.306 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.822 24.994 17.395 1.00 0.00 H new ATOM 559 N ASN A 34 34.263 29.901 19.624 1.00 0.00 N ATOM 560 CA ASN A 34 35.458 30.650 20.044 1.00 0.00 C ATOM 561 C ASN A 34 35.998 30.076 21.379 1.00 0.00 C ATOM 562 O ASN A 34 35.497 30.423 22.449 1.00 0.00 O ATOM 563 CB ASN A 34 35.097 32.147 20.182 1.00 0.00 C ATOM 564 CG ASN A 34 34.862 32.837 18.850 1.00 0.00 C ATOM 565 OD1 ASN A 34 35.745 32.914 18.008 1.00 0.00 O ATOM 566 ND2 ASN A 34 33.675 33.347 18.618 1.00 0.00 N ATOM 0 H ASN A 34 33.755 29.507 20.416 1.00 0.00 H new ATOM 0 HA ASN A 34 36.243 30.550 19.295 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.201 32.242 20.795 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.900 32.659 20.711 1.00 0.00 H new ATOM 0 HD21 ASN A 34 33.484 33.812 17.730 1.00 0.00 H new ATOM 0 HD22 ASN A 34 32.943 33.279 19.325 1.00 0.00 H new ATOM 573 N ILE A 35 36.995 29.181 21.356 1.00 0.00 N ATOM 574 CA ILE A 35 37.469 28.425 22.542 1.00 0.00 C ATOM 575 C ILE A 35 38.977 28.601 22.770 1.00 0.00 C ATOM 576 O ILE A 35 39.772 28.432 21.839 1.00 0.00 O ATOM 577 CB ILE A 35 37.072 26.933 22.438 1.00 0.00 C ATOM 578 CG1 ILE A 35 35.532 26.794 22.376 1.00 0.00 C ATOM 579 CG2 ILE A 35 37.627 26.132 23.636 1.00 0.00 C ATOM 580 CD1 ILE A 35 35.033 25.382 22.069 1.00 0.00 C ATOM 0 H ILE A 35 37.508 28.953 20.504 1.00 0.00 H new ATOM 0 HA ILE A 35 36.973 28.841 23.419 1.00 0.00 H new ATOM 0 HB ILE A 35 37.504 26.528 21.523 1.00 0.00 H new ATOM 0 HG12 ILE A 35 35.113 27.114 23.330 1.00 0.00 H new ATOM 0 HG13 ILE A 35 35.149 27.474 21.615 1.00 0.00 H new ATOM 0 HG21 ILE A 35 37.335 25.086 23.541 1.00 0.00 H new ATOM 0 HG22 ILE A 35 38.714 26.205 23.650 1.00 0.00 H new ATOM 0 HG23 ILE A 35 37.224 26.538 24.564 1.00 0.00 H new ATOM 0 HD11 ILE A 35 33.943 25.378 22.045 1.00 0.00 H new ATOM 0 HD12 ILE A 35 35.418 25.062 21.101 1.00 0.00 H new ATOM 0 HD13 ILE A 35 35.381 24.697 22.842 1.00 0.00 H new ATOM 592 N LYS A 36 39.365 28.922 24.016 1.00 0.00 N ATOM 593 CA LYS A 36 40.752 29.201 24.428 1.00 0.00 C ATOM 594 C LYS A 36 40.941 29.146 25.952 1.00 0.00 C ATOM 595 O LYS A 36 40.107 29.688 26.676 1.00 0.00 O ATOM 596 CB LYS A 36 41.125 30.603 23.905 1.00 0.00 C ATOM 597 CG LYS A 36 42.596 30.950 24.151 1.00 0.00 C ATOM 598 CD LYS A 36 42.975 32.251 23.445 1.00 0.00 C ATOM 599 CE LYS A 36 44.488 32.444 23.539 1.00 0.00 C ATOM 600 NZ LYS A 36 44.908 33.718 22.919 1.00 0.00 N ATOM 0 H LYS A 36 38.702 28.997 24.788 1.00 0.00 H new ATOM 0 HA LYS A 36 41.400 28.432 24.008 1.00 0.00 H new ATOM 0 HB2 LYS A 36 40.917 30.656 22.836 1.00 0.00 H new ATOM 0 HB3 LYS A 36 40.494 31.348 24.390 1.00 0.00 H new ATOM 0 HG2 LYS A 36 42.777 31.047 25.222 1.00 0.00 H new ATOM 0 HG3 LYS A 36 43.230 30.139 23.792 1.00 0.00 H new ATOM 0 HD2 LYS A 36 42.664 32.218 22.401 1.00 0.00 H new ATOM 0 HD3 LYS A 36 42.458 33.093 23.905 1.00 0.00 H new ATOM 0 HE2 LYS A 36 44.794 32.428 24.585 1.00 0.00 H new ATOM 0 HE3 LYS A 36 44.994 31.614 23.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 45.940 33.819 22.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 44.637 33.722 21.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 44.443 34.511 23.406 1.00 0.00 H new ATOM 614 N ASN A 37 42.068 28.601 26.417 1.00 0.00 N ATOM 615 CA ASN A 37 42.632 28.707 27.775 1.00 0.00 C ATOM 616 C ASN A 37 41.600 28.607 28.920 1.00 0.00 C ATOM 617 O ASN A 37 41.123 29.635 29.406 1.00 0.00 O ATOM 618 CB ASN A 37 43.496 29.985 27.838 1.00 0.00 C ATOM 619 CG ASN A 37 44.368 30.068 29.079 1.00 0.00 C ATOM 620 OD1 ASN A 37 44.462 29.155 29.885 1.00 0.00 O ATOM 621 ND2 ASN A 37 45.078 31.153 29.251 1.00 0.00 N ATOM 0 H ASN A 37 42.658 28.030 25.812 1.00 0.00 H new ATOM 0 HA ASN A 37 43.255 27.830 27.951 1.00 0.00 H new ATOM 0 HB2 ASN A 37 44.132 30.028 26.954 1.00 0.00 H new ATOM 0 HB3 ASN A 37 42.843 30.857 27.804 1.00 0.00 H new ATOM 0 HD21 ASN A 37 45.703 31.231 30.053 1.00 0.00 H new ATOM 0 HD22 ASN A 37 45.006 31.921 28.583 1.00 0.00 H new ATOM 628 N ALA A 38 41.254 27.384 29.339 1.00 0.00 N ATOM 629 CA ALA A 38 40.318 27.027 30.426 1.00 0.00 C ATOM 630 C ALA A 38 38.843 27.472 30.274 1.00 0.00 C ATOM 631 O ALA A 38 37.981 27.057 31.056 1.00 0.00 O ATOM 632 CB ALA A 38 40.925 27.453 31.772 1.00 0.00 C ATOM 0 H ALA A 38 41.647 26.552 28.898 1.00 0.00 H new ATOM 0 HA ALA A 38 40.217 25.943 30.369 1.00 0.00 H new ATOM 0 HB1 ALA A 38 40.240 27.193 32.579 1.00 0.00 H new ATOM 0 HB2 ALA A 38 41.874 26.939 31.922 1.00 0.00 H new ATOM 0 HB3 ALA A 38 41.092 28.530 31.771 1.00 0.00 H new ATOM 638 N PHE A 39 38.533 28.282 29.261 1.00 0.00 N ATOM 639 CA PHE A 39 37.205 28.827 28.975 1.00 0.00 C ATOM 640 C PHE A 39 36.810 28.563 27.515 1.00 0.00 C ATOM 641 O PHE A 39 37.640 28.195 26.676 1.00 0.00 O ATOM 642 CB PHE A 39 37.188 30.327 29.308 1.00 0.00 C ATOM 643 CG PHE A 39 37.284 30.674 30.783 1.00 0.00 C ATOM 644 CD1 PHE A 39 38.532 30.742 31.427 1.00 0.00 C ATOM 645 CD2 PHE A 39 36.119 30.976 31.508 1.00 0.00 C ATOM 646 CE1 PHE A 39 38.616 31.093 32.784 1.00 0.00 C ATOM 647 CE2 PHE A 39 36.199 31.342 32.864 1.00 0.00 C ATOM 648 CZ PHE A 39 37.448 31.397 33.504 1.00 0.00 C ATOM 0 H PHE A 39 39.233 28.590 28.586 1.00 0.00 H new ATOM 0 HA PHE A 39 36.465 28.327 29.599 1.00 0.00 H new ATOM 0 HB2 PHE A 39 38.016 30.806 28.786 1.00 0.00 H new ATOM 0 HB3 PHE A 39 36.269 30.758 28.911 1.00 0.00 H new ATOM 0 HD1 PHE A 39 39.433 30.523 30.874 1.00 0.00 H new ATOM 0 HD2 PHE A 39 35.156 30.927 31.021 1.00 0.00 H new ATOM 0 HE1 PHE A 39 39.578 31.129 33.274 1.00 0.00 H new ATOM 0 HE2 PHE A 39 35.300 31.581 33.413 1.00 0.00 H new ATOM 0 HZ PHE A 39 37.511 31.672 34.546 1.00 0.00 H new ATOM 658 N GLY A 40 35.527 28.723 27.207 1.00 0.00 N ATOM 659 CA GLY A 40 34.977 28.485 25.880 1.00 0.00 C ATOM 660 C GLY A 40 33.722 29.304 25.616 1.00 0.00 C ATOM 661 O GLY A 40 32.985 29.664 26.531 1.00 0.00 O ATOM 0 H GLY A 40 34.829 29.027 27.886 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.730 28.726 25.129 1.00 0.00 H new ATOM 0 HA3 GLY A 40 34.746 27.425 25.770 1.00 0.00 H new ATOM 665 N PHE A 41 33.485 29.596 24.344 1.00 0.00 N ATOM 666 CA PHE A 41 32.292 30.273 23.863 1.00 0.00 C ATOM 667 C PHE A 41 31.765 29.563 22.616 1.00 0.00 C ATOM 668 O PHE A 41 32.533 29.120 21.757 1.00 0.00 O ATOM 669 CB PHE A 41 32.611 31.748 23.602 1.00 0.00 C ATOM 670 CG PHE A 41 31.440 32.555 23.088 1.00 0.00 C ATOM 671 CD1 PHE A 41 31.176 32.633 21.707 1.00 0.00 C ATOM 672 CD2 PHE A 41 30.623 33.249 23.996 1.00 0.00 C ATOM 673 CE1 PHE A 41 30.115 33.424 21.235 1.00 0.00 C ATOM 674 CE2 PHE A 41 29.568 34.045 23.526 1.00 0.00 C ATOM 675 CZ PHE A 41 29.315 34.138 22.144 1.00 0.00 C ATOM 0 H PHE A 41 34.139 29.360 23.597 1.00 0.00 H new ATOM 0 HA PHE A 41 31.505 30.235 24.616 1.00 0.00 H new ATOM 0 HB2 PHE A 41 32.971 32.199 24.527 1.00 0.00 H new ATOM 0 HB3 PHE A 41 33.425 31.810 22.880 1.00 0.00 H new ATOM 0 HD1 PHE A 41 31.790 32.084 21.009 1.00 0.00 H new ATOM 0 HD2 PHE A 41 30.807 33.170 25.057 1.00 0.00 H new ATOM 0 HE1 PHE A 41 29.914 33.483 20.175 1.00 0.00 H new ATOM 0 HE2 PHE A 41 28.949 34.587 24.225 1.00 0.00 H new ATOM 0 HZ PHE A 41 28.507 34.757 21.783 1.00 0.00 H new ATOM 685 N ILE A 42 30.445 29.461 22.527 1.00 0.00 N ATOM 686 CA ILE A 42 29.710 28.870 21.417 1.00 0.00 C ATOM 687 C ILE A 42 28.556 29.822 21.092 1.00 0.00 C ATOM 688 O ILE A 42 27.670 30.054 21.913 1.00 0.00 O ATOM 689 CB ILE A 42 29.216 27.441 21.759 1.00 0.00 C ATOM 690 CG1 ILE A 42 30.323 26.527 22.341 1.00 0.00 C ATOM 691 CG2 ILE A 42 28.640 26.816 20.478 1.00 0.00 C ATOM 692 CD1 ILE A 42 29.809 25.186 22.884 1.00 0.00 C ATOM 0 H ILE A 42 29.828 29.805 23.263 1.00 0.00 H new ATOM 0 HA ILE A 42 30.353 28.750 20.545 1.00 0.00 H new ATOM 0 HB ILE A 42 28.459 27.527 22.538 1.00 0.00 H new ATOM 0 HG12 ILE A 42 31.063 26.333 21.565 1.00 0.00 H new ATOM 0 HG13 ILE A 42 30.834 27.059 23.143 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.285 25.808 20.693 1.00 0.00 H new ATOM 0 HG22 ILE A 42 27.810 27.424 20.118 1.00 0.00 H new ATOM 0 HG23 ILE A 42 29.416 26.772 19.714 1.00 0.00 H new ATOM 0 HD11 ILE A 42 30.646 24.606 23.273 1.00 0.00 H new ATOM 0 HD12 ILE A 42 29.091 25.368 23.684 1.00 0.00 H new ATOM 0 HD13 ILE A 42 29.324 24.630 22.081 1.00 0.00 H new ATOM 704 N GLN A 43 28.545 30.377 19.887 1.00 0.00 N ATOM 705 CA GLN A 43 27.354 31.035 19.369 1.00 0.00 C ATOM 706 C GLN A 43 26.358 29.957 18.938 1.00 0.00 C ATOM 707 O GLN A 43 26.731 28.951 18.336 1.00 0.00 O ATOM 708 CB GLN A 43 27.718 31.964 18.212 1.00 0.00 C ATOM 709 CG GLN A 43 26.586 32.935 17.855 1.00 0.00 C ATOM 710 CD GLN A 43 26.994 33.758 16.649 1.00 0.00 C ATOM 711 OE1 GLN A 43 27.045 33.260 15.533 1.00 0.00 O ATOM 712 NE2 GLN A 43 27.346 35.009 16.825 1.00 0.00 N ATOM 0 H GLN A 43 29.344 30.385 19.253 1.00 0.00 H new ATOM 0 HA GLN A 43 26.897 31.654 20.140 1.00 0.00 H new ATOM 0 HB2 GLN A 43 28.610 32.533 18.475 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.968 31.366 17.336 1.00 0.00 H new ATOM 0 HG2 GLN A 43 25.671 32.382 17.640 1.00 0.00 H new ATOM 0 HG3 GLN A 43 26.372 33.589 18.700 1.00 0.00 H new ATOM 0 HE21 GLN A 43 27.304 35.425 17.755 1.00 0.00 H new ATOM 0 HE22 GLN A 43 27.662 35.566 16.031 1.00 0.00 H new ATOM 721 N PHE A 44 25.084 30.186 19.208 1.00 0.00 N ATOM 722 CA PHE A 44 23.985 29.268 18.960 1.00 0.00 C ATOM 723 C PHE A 44 22.891 29.937 18.139 1.00 0.00 C ATOM 724 O PHE A 44 22.677 31.145 18.218 1.00 0.00 O ATOM 725 CB PHE A 44 23.430 28.793 20.306 1.00 0.00 C ATOM 726 CG PHE A 44 23.871 27.405 20.713 1.00 0.00 C ATOM 727 CD1 PHE A 44 25.130 27.197 21.303 1.00 0.00 C ATOM 728 CD2 PHE A 44 23.008 26.314 20.503 1.00 0.00 C ATOM 729 CE1 PHE A 44 25.521 25.900 21.678 1.00 0.00 C ATOM 730 CE2 PHE A 44 23.398 25.017 20.884 1.00 0.00 C ATOM 731 CZ PHE A 44 24.657 24.813 21.473 1.00 0.00 C ATOM 0 H PHE A 44 24.772 31.062 19.628 1.00 0.00 H new ATOM 0 HA PHE A 44 24.349 28.415 18.388 1.00 0.00 H new ATOM 0 HB2 PHE A 44 23.735 29.498 21.079 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.341 28.817 20.264 1.00 0.00 H new ATOM 0 HD1 PHE A 44 25.795 28.032 21.468 1.00 0.00 H new ATOM 0 HD2 PHE A 44 22.042 26.473 20.047 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.491 25.739 22.126 1.00 0.00 H new ATOM 0 HE2 PHE A 44 22.732 24.182 20.724 1.00 0.00 H new ATOM 0 HZ PHE A 44 24.960 23.819 21.768 1.00 0.00 H new ATOM 741 N ASP A 45 22.135 29.128 17.411 1.00 0.00 N ATOM 742 CA ASP A 45 20.767 29.496 17.090 1.00 0.00 C ATOM 743 C ASP A 45 19.849 29.114 18.268 1.00 0.00 C ATOM 744 O ASP A 45 20.096 28.103 18.925 1.00 0.00 O ATOM 745 CB ASP A 45 20.374 28.858 15.760 1.00 0.00 C ATOM 746 CG ASP A 45 19.101 29.463 15.190 1.00 0.00 C ATOM 747 OD1 ASP A 45 18.599 30.474 15.721 1.00 0.00 O ATOM 748 OD2 ASP A 45 18.600 28.953 14.164 1.00 0.00 O ATOM 0 H ASP A 45 22.440 28.229 17.038 1.00 0.00 H new ATOM 0 HA ASP A 45 20.663 30.573 16.957 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.186 28.983 15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.235 27.786 15.900 1.00 0.00 H new ATOM 753 N ASN A 46 18.812 29.923 18.504 1.00 0.00 N ATOM 754 CA ASN A 46 17.874 29.922 19.642 1.00 0.00 C ATOM 755 C ASN A 46 18.487 30.106 21.058 1.00 0.00 C ATOM 756 O ASN A 46 19.433 29.411 21.434 1.00 0.00 O ATOM 757 CB ASN A 46 16.994 28.662 19.597 1.00 0.00 C ATOM 758 CG ASN A 46 16.138 28.527 18.356 1.00 0.00 C ATOM 759 OD1 ASN A 46 15.940 29.449 17.570 1.00 0.00 O ATOM 760 ND2 ASN A 46 15.614 27.350 18.142 1.00 0.00 N ATOM 0 H ASN A 46 18.582 30.666 17.844 1.00 0.00 H new ATOM 0 HA ASN A 46 17.282 30.826 19.500 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.636 27.785 19.675 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.343 28.659 20.472 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.035 27.192 17.317 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.783 26.589 18.800 1.00 0.00 H new ATOM 767 N PRO A 47 17.896 30.947 21.930 1.00 0.00 N ATOM 768 CA PRO A 47 18.288 31.014 23.339 1.00 0.00 C ATOM 769 C PRO A 47 17.838 29.789 24.139 1.00 0.00 C ATOM 770 O PRO A 47 18.578 29.337 25.013 1.00 0.00 O ATOM 771 CB PRO A 47 17.667 32.303 23.864 1.00 0.00 C ATOM 772 CG PRO A 47 16.409 32.464 23.017 1.00 0.00 C ATOM 773 CD PRO A 47 16.858 31.930 21.655 1.00 0.00 C ATOM 0 HA PRO A 47 19.373 31.014 23.446 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.430 32.231 24.925 1.00 0.00 H new ATOM 0 HB3 PRO A 47 18.342 33.151 23.745 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.572 31.894 23.421 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.088 33.504 22.960 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.024 31.477 21.120 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.240 32.735 21.027 1.00 0.00 H new ATOM 781 N GLN A 48 16.701 29.174 23.789 1.00 0.00 N ATOM 782 CA GLN A 48 16.229 27.957 24.461 1.00 0.00 C ATOM 783 C GLN A 48 17.182 26.774 24.215 1.00 0.00 C ATOM 784 O GLN A 48 17.379 25.945 25.101 1.00 0.00 O ATOM 785 CB GLN A 48 14.777 27.660 24.060 1.00 0.00 C ATOM 786 CG GLN A 48 13.862 28.778 24.594 1.00 0.00 C ATOM 787 CD GLN A 48 12.380 28.607 24.292 1.00 0.00 C ATOM 788 OE1 GLN A 48 11.926 27.630 23.707 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.574 29.572 24.672 1.00 0.00 N ATOM 0 H GLN A 48 16.089 29.501 23.041 1.00 0.00 H new ATOM 0 HA GLN A 48 16.235 28.120 25.539 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.694 27.593 22.975 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.466 26.696 24.463 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.990 28.845 25.674 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.194 29.728 24.175 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.948 30.387 25.159 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.574 29.507 24.480 1.00 0.00 H new ATOM 798 N SER A 49 17.870 26.765 23.068 1.00 0.00 N ATOM 799 CA SER A 49 19.013 25.892 22.785 1.00 0.00 C ATOM 800 C SER A 49 20.240 26.193 23.657 1.00 0.00 C ATOM 801 O SER A 49 20.819 25.266 24.221 1.00 0.00 O ATOM 802 CB SER A 49 19.420 26.055 21.324 1.00 0.00 C ATOM 803 OG SER A 49 18.579 25.339 20.448 1.00 0.00 O ATOM 0 H SER A 49 17.640 27.383 22.289 1.00 0.00 H new ATOM 0 HA SER A 49 18.689 24.875 23.008 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.399 27.112 21.060 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.448 25.715 21.196 1.00 0.00 H new ATOM 0 HG SER A 49 17.695 25.762 20.425 1.00 0.00 H new ATOM 809 N VAL A 50 20.632 27.469 23.805 1.00 0.00 N ATOM 810 CA VAL A 50 21.771 27.887 24.653 1.00 0.00 C ATOM 811 C VAL A 50 21.618 27.383 26.083 1.00 0.00 C ATOM 812 O VAL A 50 22.535 26.769 26.632 1.00 0.00 O ATOM 813 CB VAL A 50 21.921 29.425 24.678 1.00 0.00 C ATOM 814 CG1 VAL A 50 22.848 29.949 25.778 1.00 0.00 C ATOM 815 CG2 VAL A 50 22.493 29.917 23.358 1.00 0.00 C ATOM 0 H VAL A 50 20.167 28.248 23.338 1.00 0.00 H new ATOM 0 HA VAL A 50 22.664 27.445 24.212 1.00 0.00 H new ATOM 0 HB VAL A 50 20.915 29.799 24.867 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.897 31.037 25.725 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.461 29.650 26.752 1.00 0.00 H new ATOM 0 HG13 VAL A 50 23.846 29.534 25.641 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.594 31.002 23.387 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.472 29.465 23.195 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.824 29.637 22.544 1.00 0.00 H new ATOM 825 N ARG A 51 20.460 27.647 26.694 1.00 0.00 N ATOM 826 CA ARG A 51 20.189 27.249 28.079 1.00 0.00 C ATOM 827 C ARG A 51 20.028 25.739 28.216 1.00 0.00 C ATOM 828 O ARG A 51 20.699 25.158 29.061 1.00 0.00 O ATOM 829 CB ARG A 51 19.050 28.082 28.690 1.00 0.00 C ATOM 830 CG ARG A 51 17.737 28.104 27.890 1.00 0.00 C ATOM 831 CD ARG A 51 16.723 27.085 28.386 1.00 0.00 C ATOM 832 NE ARG A 51 16.203 27.467 29.699 1.00 0.00 N ATOM 833 CZ ARG A 51 15.465 26.721 30.481 1.00 0.00 C ATOM 834 NH1 ARG A 51 15.166 25.497 30.183 1.00 0.00 N ATOM 835 NH2 ARG A 51 15.024 27.198 31.600 1.00 0.00 N ATOM 0 H ARG A 51 19.687 28.140 26.246 1.00 0.00 H new ATOM 0 HA ARG A 51 21.065 27.484 28.684 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.839 27.699 29.688 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.398 29.108 28.809 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.300 29.101 27.947 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.954 27.911 26.840 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.902 27.006 27.674 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.189 26.101 28.446 1.00 0.00 H new ATOM 0 HE ARG A 51 16.437 28.401 30.036 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.508 25.085 29.315 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.588 24.944 30.816 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.252 28.154 31.872 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.449 26.618 32.210 1.00 0.00 H new ATOM 849 N ASP A 52 19.248 25.077 27.357 1.00 0.00 N ATOM 850 CA ASP A 52 19.025 23.625 27.466 1.00 0.00 C ATOM 851 C ASP A 52 20.284 22.787 27.200 1.00 0.00 C ATOM 852 O ASP A 52 20.292 21.604 27.546 1.00 0.00 O ATOM 853 CB ASP A 52 17.889 23.169 26.538 1.00 0.00 C ATOM 854 CG ASP A 52 16.478 23.533 27.010 1.00 0.00 C ATOM 855 OD1 ASP A 52 16.269 23.919 28.182 1.00 0.00 O ATOM 856 OD2 ASP A 52 15.526 23.302 26.230 1.00 0.00 O ATOM 0 H ASP A 52 18.759 25.519 26.578 1.00 0.00 H new ATOM 0 HA ASP A 52 18.742 23.450 28.504 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.049 23.605 25.552 1.00 0.00 H new ATOM 0 HB3 ASP A 52 17.948 22.087 26.421 1.00 0.00 H new ATOM 861 N ALA A 53 21.343 23.384 26.637 1.00 0.00 N ATOM 862 CA ALA A 53 22.697 22.844 26.601 1.00 0.00 C ATOM 863 C ALA A 53 23.384 22.901 27.981 1.00 0.00 C ATOM 864 O ALA A 53 23.464 21.880 28.666 1.00 0.00 O ATOM 865 CB ALA A 53 23.475 23.551 25.483 1.00 0.00 C ATOM 0 H ALA A 53 21.271 24.292 26.178 1.00 0.00 H new ATOM 0 HA ALA A 53 22.668 21.780 26.367 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.491 23.158 25.442 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.980 23.376 24.528 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.508 24.622 25.683 1.00 0.00 H new ATOM 871 N ILE A 54 23.878 24.063 28.433 1.00 0.00 N ATOM 872 CA ILE A 54 24.697 24.132 29.665 1.00 0.00 C ATOM 873 C ILE A 54 23.917 23.873 30.959 1.00 0.00 C ATOM 874 O ILE A 54 24.462 23.227 31.852 1.00 0.00 O ATOM 875 CB ILE A 54 25.573 25.405 29.778 1.00 0.00 C ATOM 876 CG1 ILE A 54 25.035 26.674 29.080 1.00 0.00 C ATOM 877 CG2 ILE A 54 26.981 25.083 29.245 1.00 0.00 C ATOM 878 CD1 ILE A 54 23.709 27.181 29.650 1.00 0.00 C ATOM 0 H ILE A 54 23.730 24.962 27.974 1.00 0.00 H new ATOM 0 HA ILE A 54 25.384 23.294 29.547 1.00 0.00 H new ATOM 0 HB ILE A 54 25.572 25.660 30.838 1.00 0.00 H new ATOM 0 HG12 ILE A 54 25.780 27.465 29.162 1.00 0.00 H new ATOM 0 HG13 ILE A 54 24.906 26.466 28.018 1.00 0.00 H new ATOM 0 HG21 ILE A 54 27.610 25.971 29.318 1.00 0.00 H new ATOM 0 HG22 ILE A 54 27.419 24.279 29.836 1.00 0.00 H new ATOM 0 HG23 ILE A 54 26.913 24.772 28.203 1.00 0.00 H new ATOM 0 HD11 ILE A 54 23.398 28.074 29.108 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.948 26.408 29.544 1.00 0.00 H new ATOM 0 HD13 ILE A 54 23.835 27.423 30.705 1.00 0.00 H new ATOM 890 N GLU A 55 22.639 24.246 31.045 1.00 0.00 N ATOM 891 CA GLU A 55 21.790 23.958 32.215 1.00 0.00 C ATOM 892 C GLU A 55 21.471 22.463 32.373 1.00 0.00 C ATOM 893 O GLU A 55 20.982 22.040 33.426 1.00 0.00 O ATOM 894 CB GLU A 55 20.483 24.762 32.133 1.00 0.00 C ATOM 895 CG GLU A 55 20.684 26.283 32.196 1.00 0.00 C ATOM 896 CD GLU A 55 20.948 26.745 33.630 1.00 0.00 C ATOM 897 OE1 GLU A 55 22.076 26.602 34.158 1.00 0.00 O ATOM 898 OE2 GLU A 55 19.998 27.247 34.280 1.00 0.00 O ATOM 0 H GLU A 55 22.157 24.758 30.306 1.00 0.00 H new ATOM 0 HA GLU A 55 22.360 24.258 33.094 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.971 24.511 31.204 1.00 0.00 H new ATOM 0 HB3 GLU A 55 19.829 24.458 32.950 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.521 26.569 31.559 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.799 26.786 31.806 1.00 0.00 H new ATOM 905 N CYS A 56 21.764 21.667 31.344 1.00 0.00 N ATOM 906 CA CYS A 56 21.681 20.214 31.349 1.00 0.00 C ATOM 907 C CYS A 56 23.069 19.539 31.413 1.00 0.00 C ATOM 908 O CYS A 56 23.175 18.404 31.876 1.00 0.00 O ATOM 909 CB CYS A 56 20.910 19.832 30.085 1.00 0.00 C ATOM 910 SG CYS A 56 20.388 18.109 30.193 1.00 0.00 S ATOM 0 H CYS A 56 22.079 22.038 30.447 1.00 0.00 H new ATOM 0 HA CYS A 56 21.169 19.860 32.244 1.00 0.00 H new ATOM 0 HB2 CYS A 56 20.041 20.479 29.967 1.00 0.00 H new ATOM 0 HB3 CYS A 56 21.538 19.978 29.206 1.00 0.00 H new ATOM 0 HG CYS A 56 21.258 17.435 30.885 1.00 0.00 H new ATOM 916 N GLU A 57 24.131 20.212 30.958 1.00 0.00 N ATOM 917 CA GLU A 57 25.489 19.660 30.846 1.00 0.00 C ATOM 918 C GLU A 57 26.407 20.050 32.011 1.00 0.00 C ATOM 919 O GLU A 57 26.877 19.170 32.736 1.00 0.00 O ATOM 920 CB GLU A 57 26.084 20.065 29.488 1.00 0.00 C ATOM 921 CG GLU A 57 27.496 19.514 29.247 1.00 0.00 C ATOM 922 CD GLU A 57 27.524 17.996 29.412 1.00 0.00 C ATOM 923 OE1 GLU A 57 26.767 17.301 28.698 1.00 0.00 O ATOM 924 OE2 GLU A 57 28.262 17.479 30.283 1.00 0.00 O ATOM 0 H GLU A 57 24.070 21.182 30.649 1.00 0.00 H new ATOM 0 HA GLU A 57 25.414 18.574 30.904 1.00 0.00 H new ATOM 0 HB2 GLU A 57 25.426 19.714 28.693 1.00 0.00 H new ATOM 0 HB3 GLU A 57 26.111 21.153 29.423 1.00 0.00 H new ATOM 0 HG2 GLU A 57 27.829 19.781 28.244 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.194 19.973 29.947 1.00 0.00 H new ATOM 1095 N ILE A 68 31.158 26.945 35.293 1.00 0.00 N ATOM 1096 CA ILE A 68 30.291 28.133 35.224 1.00 0.00 C ATOM 1097 C ILE A 68 29.895 28.491 33.788 1.00 0.00 C ATOM 1098 O ILE A 68 30.588 28.134 32.839 1.00 0.00 O ATOM 1099 CB ILE A 68 30.934 29.343 35.937 1.00 0.00 C ATOM 1100 CG1 ILE A 68 32.339 29.680 35.381 1.00 0.00 C ATOM 1101 CG2 ILE A 68 30.948 29.080 37.450 1.00 0.00 C ATOM 1102 CD1 ILE A 68 32.927 30.985 35.934 1.00 0.00 C ATOM 0 HA ILE A 68 29.373 27.875 35.751 1.00 0.00 H new ATOM 0 HB ILE A 68 30.332 30.230 35.739 1.00 0.00 H new ATOM 0 HG12 ILE A 68 33.018 28.859 35.613 1.00 0.00 H new ATOM 0 HG13 ILE A 68 32.283 29.749 34.295 1.00 0.00 H new ATOM 0 HG21 ILE A 68 31.400 29.929 37.963 1.00 0.00 H new ATOM 0 HG22 ILE A 68 29.926 28.944 37.805 1.00 0.00 H new ATOM 0 HG23 ILE A 68 31.527 28.180 37.658 1.00 0.00 H new ATOM 0 HD11 ILE A 68 33.912 31.154 35.499 1.00 0.00 H new ATOM 0 HD12 ILE A 68 32.270 31.817 35.679 1.00 0.00 H new ATOM 0 HD13 ILE A 68 33.017 30.913 37.018 1.00 0.00 H new ATOM 1114 N LEU A 69 28.778 29.208 33.633 1.00 0.00 N ATOM 1115 CA LEU A 69 28.156 29.479 32.335 1.00 0.00 C ATOM 1116 C LEU A 69 27.616 30.906 32.190 1.00 0.00 C ATOM 1117 O LEU A 69 27.377 31.601 33.182 1.00 0.00 O ATOM 1118 CB LEU A 69 27.088 28.399 32.039 1.00 0.00 C ATOM 1119 CG LEU A 69 25.737 28.406 32.797 1.00 0.00 C ATOM 1120 CD1 LEU A 69 25.864 28.496 34.319 1.00 0.00 C ATOM 1121 CD2 LEU A 69 24.765 29.496 32.334 1.00 0.00 C ATOM 0 H LEU A 69 28.274 29.622 34.417 1.00 0.00 H new ATOM 0 HA LEU A 69 28.937 29.418 31.577 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.861 28.453 30.974 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.552 27.429 32.217 1.00 0.00 H new ATOM 0 HG LEU A 69 25.328 27.429 32.538 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.871 28.495 34.768 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.430 27.641 34.688 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.382 29.417 34.587 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.844 29.433 32.914 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.220 30.476 32.481 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.538 29.356 31.277 1.00 0.00 H new ATOM 1133 N GLU A 70 27.364 31.339 30.955 1.00 0.00 N ATOM 1134 CA GLU A 70 26.508 32.500 30.681 1.00 0.00 C ATOM 1135 C GLU A 70 25.668 32.317 29.410 1.00 0.00 C ATOM 1136 O GLU A 70 26.197 32.003 28.342 1.00 0.00 O ATOM 1137 CB GLU A 70 27.328 33.800 30.662 1.00 0.00 C ATOM 1138 CG GLU A 70 26.429 35.035 30.553 1.00 0.00 C ATOM 1139 CD GLU A 70 27.231 36.321 30.748 1.00 0.00 C ATOM 1140 OE1 GLU A 70 27.424 36.738 31.916 1.00 0.00 O ATOM 1141 OE2 GLU A 70 27.666 36.927 29.743 1.00 0.00 O ATOM 0 H GLU A 70 27.744 30.899 30.117 1.00 0.00 H new ATOM 0 HA GLU A 70 25.795 32.581 31.501 1.00 0.00 H new ATOM 0 HB2 GLU A 70 27.928 33.865 31.570 1.00 0.00 H new ATOM 0 HB3 GLU A 70 28.022 33.780 29.822 1.00 0.00 H new ATOM 0 HG2 GLU A 70 25.944 35.050 29.577 1.00 0.00 H new ATOM 0 HG3 GLU A 70 25.638 34.980 31.301 1.00 0.00 H new ATOM 1148 N VAL A 71 24.358 32.544 29.554 1.00 0.00 N ATOM 1149 CA VAL A 71 23.324 32.468 28.509 1.00 0.00 C ATOM 1150 C VAL A 71 22.849 33.870 28.136 1.00 0.00 C ATOM 1151 O VAL A 71 22.383 34.605 29.009 1.00 0.00 O ATOM 1152 CB VAL A 71 22.130 31.582 28.957 1.00 0.00 C ATOM 1153 CG1 VAL A 71 21.699 31.761 30.423 1.00 0.00 C ATOM 1154 CG2 VAL A 71 20.876 31.802 28.090 1.00 0.00 C ATOM 0 H VAL A 71 23.964 32.802 30.459 1.00 0.00 H new ATOM 0 HA VAL A 71 23.765 32.001 27.628 1.00 0.00 H new ATOM 0 HB VAL A 71 22.525 30.574 28.834 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.859 31.100 30.639 1.00 0.00 H new ATOM 0 HG12 VAL A 71 22.533 31.515 31.080 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.399 32.795 30.590 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.071 31.159 28.445 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.565 32.844 28.158 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.104 31.559 27.052 1.00 0.00 H new ATOM 1164 N SER A 72 22.874 34.226 26.851 1.00 0.00 N ATOM 1165 CA SER A 72 22.322 35.501 26.371 1.00 0.00 C ATOM 1166 C SER A 72 21.600 35.365 25.030 1.00 0.00 C ATOM 1167 O SER A 72 22.110 34.758 24.083 1.00 0.00 O ATOM 1168 CB SER A 72 23.440 36.535 26.310 1.00 0.00 C ATOM 1169 OG SER A 72 22.953 37.786 25.880 1.00 0.00 O ATOM 0 H SER A 72 23.274 33.645 26.114 1.00 0.00 H new ATOM 0 HA SER A 72 21.561 35.833 27.077 1.00 0.00 H new ATOM 0 HB2 SER A 72 23.898 36.638 27.294 1.00 0.00 H new ATOM 0 HB3 SER A 72 24.220 36.192 25.630 1.00 0.00 H new ATOM 0 HG SER A 72 23.690 38.432 25.851 1.00 0.00 H new