USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 LYS NZ :NH3+ -175:sc= 0.866 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.444 K(o=1.3,f=-3.5) USER MOD Set 2.1: A 43 SER OG : rot 41:sc= 0.828 USER MOD Set 2.2: A 45 THR OG1 : rot 172:sc= 0.767 USER MOD Set 2.3: A 46 THR OG1 : rot -161:sc= 1.46 USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0.864 USER MOD Set 3.2: A 27 GLN : amide:sc= 0.889 K(o=1.8,f=0.7) USER MOD Set 4.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 15 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 11 GLN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.97 K(o=0.97,f=-0.092) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= -1.07 (180deg=-1.07) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0747) USER MOD Single : A 38 TYR OH : rot -162:sc= 1.25 USER MOD Single : A 40 ASN : amide:sc= 0.298 K(o=0.3,f=-0.32) USER MOD Single : A 44 GLN : amide:sc= 0.964 K(o=0.96,f=-8.7!) USER MOD Single : A 48 SER OG : rot 79:sc= 0.964 USER MOD Single : A 54 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.47) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 60 MET CE :methyl -159:sc= -2.25 (180deg=-2.82) USER MOD Single : A 61 CYS SG : rot -13:sc= 0.0792 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0.643 (180deg=0.637) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 3.676 5.701 -2.738 1.00 0.00 N ATOM 2 CA ASP A 5 3.261 6.263 -1.466 1.00 0.00 C ATOM 3 C ASP A 5 4.414 6.245 -0.456 1.00 0.00 C ATOM 4 O ASP A 5 5.336 5.431 -0.558 1.00 0.00 O ATOM 5 CB ASP A 5 2.040 5.498 -0.936 1.00 0.00 C ATOM 6 CG ASP A 5 1.599 6.021 0.425 1.00 0.00 C ATOM 7 OD1 ASP A 5 0.893 7.052 0.439 1.00 0.00 O ATOM 8 OD2 ASP A 5 2.032 5.418 1.431 1.00 0.00 O ATOM 0 HA ASP A 5 2.979 7.305 -1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.217 5.588 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.280 4.437 -0.859 1.00 0.00 H new ATOM 15 N LEU A 6 4.327 7.137 0.538 1.00 0.00 N ATOM 16 CA LEU A 6 5.248 7.249 1.661 1.00 0.00 C ATOM 17 C LEU A 6 5.665 5.871 2.179 1.00 0.00 C ATOM 18 O LEU A 6 6.856 5.620 2.340 1.00 0.00 O ATOM 19 CB LEU A 6 4.622 8.074 2.796 1.00 0.00 C ATOM 20 CG LEU A 6 4.665 9.595 2.558 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.725 10.059 1.440 1.00 0.00 C ATOM 22 CD2 LEU A 6 4.281 10.312 3.856 1.00 0.00 C ATOM 0 H LEU A 6 3.578 7.828 0.578 1.00 0.00 H new ATOM 0 HA LEU A 6 6.141 7.762 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.585 7.766 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.142 7.847 3.727 1.00 0.00 H new ATOM 0 HG LEU A 6 5.680 9.842 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.804 11.140 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.003 9.572 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.699 9.795 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.308 11.390 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.275 10.014 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.986 10.043 4.643 1.00 0.00 H new ATOM 34 N GLU A 7 4.693 4.979 2.400 1.00 0.00 N ATOM 35 CA GLU A 7 4.937 3.639 2.916 1.00 0.00 C ATOM 36 C GLU A 7 5.968 2.867 2.084 1.00 0.00 C ATOM 37 O GLU A 7 6.763 2.119 2.650 1.00 0.00 O ATOM 38 CB GLU A 7 3.616 2.864 3.020 1.00 0.00 C ATOM 39 CG GLU A 7 2.656 3.470 4.055 1.00 0.00 C ATOM 40 CD GLU A 7 3.230 3.444 5.470 1.00 0.00 C ATOM 41 OE1 GLU A 7 3.532 2.325 5.938 1.00 0.00 O ATOM 42 OE2 GLU A 7 3.358 4.543 6.053 1.00 0.00 O ATOM 0 H GLU A 7 3.708 5.174 2.222 1.00 0.00 H new ATOM 0 HA GLU A 7 5.365 3.745 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.130 2.849 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.827 1.829 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.430 4.499 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.715 2.921 4.038 1.00 0.00 H new ATOM 49 N GLU A 8 5.978 3.040 0.757 1.00 0.00 N ATOM 50 CA GLU A 8 7.001 2.439 -0.088 1.00 0.00 C ATOM 51 C GLU A 8 8.273 3.280 -0.022 1.00 0.00 C ATOM 52 O GLU A 8 9.364 2.744 0.160 1.00 0.00 O ATOM 53 CB GLU A 8 6.526 2.305 -1.541 1.00 0.00 C ATOM 54 CG GLU A 8 5.301 1.394 -1.685 1.00 0.00 C ATOM 55 CD GLU A 8 3.998 2.160 -1.491 1.00 0.00 C ATOM 56 OE1 GLU A 8 3.655 2.917 -2.423 1.00 0.00 O ATOM 57 OE2 GLU A 8 3.380 1.990 -0.418 1.00 0.00 O ATOM 0 H GLU A 8 5.286 3.593 0.251 1.00 0.00 H new ATOM 0 HA GLU A 8 7.206 1.435 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.286 3.294 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.340 1.910 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.307 0.931 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.360 0.587 -0.954 1.00 0.00 H new ATOM 64 N LEU A 9 8.133 4.597 -0.203 1.00 0.00 N ATOM 65 CA LEU A 9 9.263 5.517 -0.258 1.00 0.00 C ATOM 66 C LEU A 9 10.192 5.348 0.946 1.00 0.00 C ATOM 67 O LEU A 9 11.398 5.239 0.752 1.00 0.00 O ATOM 68 CB LEU A 9 8.774 6.967 -0.362 1.00 0.00 C ATOM 69 CG LEU A 9 8.044 7.291 -1.678 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.345 8.647 -1.561 1.00 0.00 C ATOM 71 CD2 LEU A 9 9.014 7.349 -2.860 1.00 0.00 C ATOM 0 H LEU A 9 7.227 5.052 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 9 9.838 5.276 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.105 7.174 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.629 7.636 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 9 7.319 6.497 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.830 8.872 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.622 8.614 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.085 9.421 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.463 7.580 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.760 8.123 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.511 6.385 -2.971 1.00 0.00 H new ATOM 83 N GLU A 10 9.659 5.320 2.172 1.00 0.00 N ATOM 84 CA GLU A 10 10.476 5.222 3.378 1.00 0.00 C ATOM 85 C GLU A 10 11.386 3.994 3.338 1.00 0.00 C ATOM 86 O GLU A 10 12.613 4.105 3.344 1.00 0.00 O ATOM 87 CB GLU A 10 9.598 5.258 4.642 1.00 0.00 C ATOM 88 CG GLU A 10 8.499 4.191 4.769 1.00 0.00 C ATOM 89 CD GLU A 10 7.430 4.618 5.772 1.00 0.00 C ATOM 90 OE1 GLU A 10 6.662 5.542 5.427 1.00 0.00 O ATOM 91 OE2 GLU A 10 7.410 4.020 6.869 1.00 0.00 O ATOM 0 H GLU A 10 8.656 5.364 2.352 1.00 0.00 H new ATOM 0 HA GLU A 10 11.130 6.093 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.252 5.173 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.124 6.238 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.040 4.020 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.941 3.246 5.084 1.00 0.00 H new ATOM 98 N GLN A 11 10.769 2.814 3.298 1.00 0.00 N ATOM 99 CA GLN A 11 11.488 1.551 3.295 1.00 0.00 C ATOM 100 C GLN A 11 12.430 1.470 2.091 1.00 0.00 C ATOM 101 O GLN A 11 13.581 1.067 2.238 1.00 0.00 O ATOM 102 CB GLN A 11 10.523 0.359 3.400 1.00 0.00 C ATOM 103 CG GLN A 11 9.584 0.196 2.201 1.00 0.00 C ATOM 104 CD GLN A 11 8.591 -0.938 2.432 1.00 0.00 C ATOM 105 OE1 GLN A 11 8.929 -2.106 2.269 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.362 -0.611 2.813 1.00 0.00 N ATOM 0 H GLN A 11 9.755 2.712 3.267 1.00 0.00 H new ATOM 0 HA GLN A 11 12.117 1.500 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.106 -0.555 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.923 0.472 4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.044 1.127 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.168 -0.005 1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.111 0.370 2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.668 -1.340 2.979 1.00 0.00 H new ATOM 115 N PHE A 12 11.959 1.878 0.908 1.00 0.00 N ATOM 116 CA PHE A 12 12.774 1.910 -0.298 1.00 0.00 C ATOM 117 C PHE A 12 14.029 2.758 -0.066 1.00 0.00 C ATOM 118 O PHE A 12 15.142 2.299 -0.304 1.00 0.00 O ATOM 119 CB PHE A 12 11.936 2.428 -1.476 1.00 0.00 C ATOM 120 CG PHE A 12 12.734 2.644 -2.747 1.00 0.00 C ATOM 121 CD1 PHE A 12 12.944 1.588 -3.653 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.383 3.874 -2.944 1.00 0.00 C ATOM 123 CE1 PHE A 12 13.817 1.760 -4.742 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.313 4.019 -3.988 1.00 0.00 C ATOM 125 CZ PHE A 12 14.519 2.969 -4.897 1.00 0.00 C ATOM 0 H PHE A 12 11.000 2.195 0.766 1.00 0.00 H new ATOM 0 HA PHE A 12 13.106 0.902 -0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.133 1.719 -1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.466 3.369 -1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.435 0.646 -3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.167 4.709 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 12 13.948 0.964 -5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 12 14.870 4.939 -4.091 1.00 0.00 H new ATOM 0 HZ PHE A 12 15.215 3.089 -5.714 1.00 0.00 H new ATOM 135 N ALA A 13 13.855 3.990 0.414 1.00 0.00 N ATOM 136 CA ALA A 13 14.938 4.928 0.668 1.00 0.00 C ATOM 137 C ALA A 13 15.929 4.336 1.668 1.00 0.00 C ATOM 138 O ALA A 13 17.130 4.277 1.407 1.00 0.00 O ATOM 139 CB ALA A 13 14.351 6.251 1.171 1.00 0.00 C ATOM 0 H ALA A 13 12.935 4.367 0.641 1.00 0.00 H new ATOM 0 HA ALA A 13 15.484 5.121 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.158 6.958 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.681 6.662 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.796 6.076 2.092 1.00 0.00 H new ATOM 145 N LYS A 14 15.416 3.876 2.810 1.00 0.00 N ATOM 146 CA LYS A 14 16.201 3.213 3.842 1.00 0.00 C ATOM 147 C LYS A 14 17.021 2.075 3.223 1.00 0.00 C ATOM 148 O LYS A 14 18.228 1.975 3.448 1.00 0.00 O ATOM 149 CB LYS A 14 15.233 2.764 4.950 1.00 0.00 C ATOM 150 CG LYS A 14 15.859 2.051 6.161 1.00 0.00 C ATOM 151 CD LYS A 14 16.195 0.561 5.969 1.00 0.00 C ATOM 152 CE LYS A 14 14.992 -0.290 5.542 1.00 0.00 C ATOM 153 NZ LYS A 14 15.350 -1.716 5.454 1.00 0.00 N ATOM 0 H LYS A 14 14.426 3.957 3.044 1.00 0.00 H new ATOM 0 HA LYS A 14 16.933 3.882 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.697 3.642 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.493 2.098 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.774 2.577 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.175 2.143 7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.980 0.468 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.597 0.165 6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.180 -0.160 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.624 0.055 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.517 -2.266 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.109 -1.841 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.678 -2.050 6.383 1.00 0.00 H new ATOM 167 N THR A 15 16.373 1.227 2.425 1.00 0.00 N ATOM 168 CA THR A 15 17.023 0.096 1.769 1.00 0.00 C ATOM 169 C THR A 15 18.112 0.582 0.809 1.00 0.00 C ATOM 170 O THR A 15 19.226 0.056 0.823 1.00 0.00 O ATOM 171 CB THR A 15 15.987 -0.799 1.075 1.00 0.00 C ATOM 172 OG1 THR A 15 15.042 -1.234 2.030 1.00 0.00 O ATOM 173 CG2 THR A 15 16.631 -2.045 0.458 1.00 0.00 C ATOM 0 H THR A 15 15.378 1.307 2.215 1.00 0.00 H new ATOM 0 HA THR A 15 17.514 -0.516 2.526 1.00 0.00 H new ATOM 0 HB THR A 15 15.522 -0.212 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.479 -0.479 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.863 -2.651 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.372 -1.743 -0.282 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.117 -2.629 1.240 1.00 0.00 H new ATOM 181 N PHE A 16 17.808 1.596 -0.004 1.00 0.00 N ATOM 182 CA PHE A 16 18.772 2.209 -0.904 1.00 0.00 C ATOM 183 C PHE A 16 19.995 2.668 -0.109 1.00 0.00 C ATOM 184 O PHE A 16 21.125 2.377 -0.493 1.00 0.00 O ATOM 185 CB PHE A 16 18.118 3.344 -1.709 1.00 0.00 C ATOM 186 CG PHE A 16 19.035 3.928 -2.765 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.103 3.328 -4.034 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.902 4.992 -2.449 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.026 3.792 -4.987 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.820 5.462 -3.407 1.00 0.00 C ATOM 191 CZ PHE A 16 20.875 4.869 -4.679 1.00 0.00 C ATOM 0 H PHE A 16 16.879 2.013 -0.052 1.00 0.00 H new ATOM 0 HA PHE A 16 19.115 1.476 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.215 2.967 -2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.810 4.135 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 16 18.444 2.508 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.862 5.448 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 16 20.083 3.321 -5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.483 6.279 -3.164 1.00 0.00 H new ATOM 0 HZ PHE A 16 21.568 5.240 -5.419 1.00 0.00 H new ATOM 201 N LYS A 17 19.783 3.332 1.031 1.00 0.00 N ATOM 202 CA LYS A 17 20.873 3.701 1.923 1.00 0.00 C ATOM 203 C LYS A 17 21.661 2.466 2.379 1.00 0.00 C ATOM 204 O LYS A 17 22.889 2.491 2.346 1.00 0.00 O ATOM 205 CB LYS A 17 20.357 4.547 3.095 1.00 0.00 C ATOM 206 CG LYS A 17 21.504 5.041 3.987 1.00 0.00 C ATOM 207 CD LYS A 17 20.981 6.024 5.041 1.00 0.00 C ATOM 208 CE LYS A 17 22.112 6.485 5.966 1.00 0.00 C ATOM 209 NZ LYS A 17 21.640 7.508 6.916 1.00 0.00 N ATOM 0 H LYS A 17 18.861 3.624 1.354 1.00 0.00 H new ATOM 0 HA LYS A 17 21.576 4.325 1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.802 5.402 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.661 3.957 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.982 4.193 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.265 5.526 3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.533 6.887 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.195 5.549 5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.508 5.630 6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.931 6.888 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.427 7.801 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.285 8.332 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 20.875 7.113 7.499 1.00 0.00 H new ATOM 223 N GLN A 18 20.995 1.383 2.797 1.00 0.00 N ATOM 224 CA GLN A 18 21.726 0.186 3.217 1.00 0.00 C ATOM 225 C GLN A 18 22.597 -0.340 2.075 1.00 0.00 C ATOM 226 O GLN A 18 23.771 -0.644 2.274 1.00 0.00 O ATOM 227 CB GLN A 18 20.811 -0.935 3.733 1.00 0.00 C ATOM 228 CG GLN A 18 19.820 -0.533 4.829 1.00 0.00 C ATOM 229 CD GLN A 18 20.366 0.500 5.811 1.00 0.00 C ATOM 230 OE1 GLN A 18 21.162 0.176 6.684 1.00 0.00 O ATOM 231 NE2 GLN A 18 19.937 1.752 5.684 1.00 0.00 N ATOM 0 H GLN A 18 19.979 1.311 2.852 1.00 0.00 H new ATOM 0 HA GLN A 18 22.355 0.493 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.249 -1.337 2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.436 -1.743 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 18 18.919 -0.135 4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.525 -1.424 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.274 1.992 4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.271 2.473 6.324 1.00 0.00 H new ATOM 240 N ARG A 19 22.031 -0.441 0.871 1.00 0.00 N ATOM 241 CA ARG A 19 22.780 -0.876 -0.301 1.00 0.00 C ATOM 242 C ARG A 19 23.965 0.056 -0.556 1.00 0.00 C ATOM 243 O ARG A 19 25.084 -0.406 -0.764 1.00 0.00 O ATOM 244 CB ARG A 19 21.852 -0.970 -1.519 1.00 0.00 C ATOM 245 CG ARG A 19 20.913 -2.182 -1.430 1.00 0.00 C ATOM 246 CD ARG A 19 21.610 -3.531 -1.671 1.00 0.00 C ATOM 247 NE ARG A 19 22.177 -3.623 -3.026 1.00 0.00 N ATOM 248 CZ ARG A 19 23.457 -3.428 -3.382 1.00 0.00 C ATOM 249 NH1 ARG A 19 24.393 -3.122 -2.478 1.00 0.00 N ATOM 250 NH2 ARG A 19 23.796 -3.535 -4.672 1.00 0.00 N ATOM 0 H ARG A 19 21.051 -0.225 0.685 1.00 0.00 H new ATOM 0 HA ARG A 19 23.184 -1.871 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.261 -0.057 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.451 -1.040 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.447 -2.196 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.112 -2.063 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.403 -3.666 -0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.896 -4.340 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 19 21.527 -3.861 -3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.141 -3.032 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 19 25.359 -2.979 -2.773 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.086 -3.762 -5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 19 24.764 -3.390 -4.959 1.00 0.00 H new ATOM 264 N ARG A 20 23.736 1.367 -0.508 1.00 0.00 N ATOM 265 CA ARG A 20 24.776 2.370 -0.663 1.00 0.00 C ATOM 266 C ARG A 20 25.909 2.146 0.347 1.00 0.00 C ATOM 267 O ARG A 20 27.085 2.160 -0.021 1.00 0.00 O ATOM 268 CB ARG A 20 24.141 3.758 -0.527 1.00 0.00 C ATOM 269 CG ARG A 20 25.151 4.858 -0.841 1.00 0.00 C ATOM 270 CD ARG A 20 24.481 6.230 -0.815 1.00 0.00 C ATOM 271 NE ARG A 20 24.032 6.594 0.532 1.00 0.00 N ATOM 272 CZ ARG A 20 24.745 7.337 1.388 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.059 7.520 1.222 1.00 0.00 N ATOM 274 NH2 ARG A 20 24.136 7.935 2.414 1.00 0.00 N ATOM 0 H ARG A 20 22.808 1.763 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 20 25.229 2.290 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.289 3.839 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.759 3.889 0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 20 25.963 4.831 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.594 4.683 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.180 6.982 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.629 6.231 -1.494 1.00 0.00 H new ATOM 0 HE ARG A 20 23.118 6.260 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 20 26.538 7.090 0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.582 8.090 1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.130 7.825 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.676 8.502 3.068 1.00 0.00 H new ATOM 288 N ILE A 21 25.558 1.927 1.617 1.00 0.00 N ATOM 289 CA ILE A 21 26.518 1.602 2.663 1.00 0.00 C ATOM 290 C ILE A 21 27.262 0.315 2.301 1.00 0.00 C ATOM 291 O ILE A 21 28.486 0.280 2.380 1.00 0.00 O ATOM 292 CB ILE A 21 25.823 1.536 4.039 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.391 2.955 4.461 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.756 0.937 5.104 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.407 2.952 5.635 1.00 0.00 C ATOM 0 H ILE A 21 24.593 1.972 1.945 1.00 0.00 H new ATOM 0 HA ILE A 21 27.264 2.393 2.738 1.00 0.00 H new ATOM 0 HB ILE A 21 24.948 0.891 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.274 3.532 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.932 3.458 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.239 0.903 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.042 -0.073 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.649 1.555 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.139 3.978 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.509 2.400 5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.872 2.476 6.498 1.00 0.00 H new ATOM 307 N LYS A 22 26.551 -0.734 1.877 1.00 0.00 N ATOM 308 CA LYS A 22 27.165 -1.998 1.482 1.00 0.00 C ATOM 309 C LYS A 22 28.178 -1.793 0.348 1.00 0.00 C ATOM 310 O LYS A 22 29.263 -2.368 0.380 1.00 0.00 O ATOM 311 CB LYS A 22 26.073 -3.018 1.118 1.00 0.00 C ATOM 312 CG LYS A 22 26.607 -4.408 0.731 1.00 0.00 C ATOM 313 CD LYS A 22 27.511 -5.065 1.784 1.00 0.00 C ATOM 314 CE LYS A 22 26.814 -5.221 3.142 1.00 0.00 C ATOM 315 NZ LYS A 22 27.661 -5.961 4.094 1.00 0.00 N ATOM 0 H LYS A 22 25.534 -0.727 1.799 1.00 0.00 H new ATOM 0 HA LYS A 22 27.727 -2.400 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.396 -3.125 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 22 25.486 -2.624 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.760 -5.066 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 22 27.163 -4.321 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 22 27.827 -6.045 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.413 -4.466 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.580 -4.237 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.867 -5.745 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.164 -6.051 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 27.864 -6.908 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 28.554 -5.447 4.237 1.00 0.00 H new ATOM 329 N LEU A 23 27.845 -0.960 -0.644 1.00 0.00 N ATOM 330 CA LEU A 23 28.776 -0.583 -1.706 1.00 0.00 C ATOM 331 C LEU A 23 29.938 0.274 -1.181 1.00 0.00 C ATOM 332 O LEU A 23 30.927 0.460 -1.884 1.00 0.00 O ATOM 333 CB LEU A 23 28.041 0.172 -2.826 1.00 0.00 C ATOM 334 CG LEU A 23 26.972 -0.647 -3.567 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.222 0.272 -4.537 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.579 -1.818 -4.350 1.00 0.00 C ATOM 0 H LEU A 23 26.924 -0.531 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 23 29.195 -1.507 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.568 1.056 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.776 0.522 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 23 26.294 -1.063 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.461 -0.301 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.746 1.078 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.925 0.694 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.785 -2.367 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.284 -1.436 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.099 -2.485 -3.662 1.00 0.00 H new ATOM 348 N GLY A 24 29.821 0.834 0.027 1.00 0.00 N ATOM 349 CA GLY A 24 30.785 1.771 0.579 1.00 0.00 C ATOM 350 C GLY A 24 30.735 3.095 -0.179 1.00 0.00 C ATOM 351 O GLY A 24 31.753 3.761 -0.343 1.00 0.00 O ATOM 0 H GLY A 24 29.039 0.641 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.573 1.941 1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.788 1.348 0.519 1.00 0.00 H new ATOM 355 N PHE A 25 29.550 3.483 -0.659 1.00 0.00 N ATOM 356 CA PHE A 25 29.387 4.669 -1.491 1.00 0.00 C ATOM 357 C PHE A 25 29.068 5.864 -0.599 1.00 0.00 C ATOM 358 O PHE A 25 27.924 6.294 -0.449 1.00 0.00 O ATOM 359 CB PHE A 25 28.380 4.394 -2.613 1.00 0.00 C ATOM 360 CG PHE A 25 28.993 3.793 -3.871 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.161 3.003 -3.804 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.454 4.114 -5.131 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.731 2.477 -4.975 1.00 0.00 C ATOM 364 CE2 PHE A 25 29.052 3.622 -6.304 1.00 0.00 C ATOM 365 CZ PHE A 25 30.176 2.785 -6.226 1.00 0.00 C ATOM 0 H PHE A 25 28.680 2.981 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 25 30.311 4.925 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.612 3.718 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.882 5.327 -2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.619 2.802 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.577 4.741 -5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.597 1.835 -4.912 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.645 3.889 -7.268 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.612 2.379 -7.127 1.00 0.00 H new ATOM 375 N THR A 26 30.137 6.384 -0.003 1.00 0.00 N ATOM 376 CA THR A 26 30.145 7.425 1.006 1.00 0.00 C ATOM 377 C THR A 26 30.625 8.728 0.365 1.00 0.00 C ATOM 378 O THR A 26 30.874 8.776 -0.843 1.00 0.00 O ATOM 379 CB THR A 26 31.013 6.958 2.192 1.00 0.00 C ATOM 380 OG1 THR A 26 31.143 7.971 3.175 1.00 0.00 O ATOM 381 CG2 THR A 26 32.407 6.488 1.757 1.00 0.00 C ATOM 0 H THR A 26 31.079 6.065 -0.230 1.00 0.00 H new ATOM 0 HA THR A 26 29.148 7.618 1.402 1.00 0.00 H new ATOM 0 HB THR A 26 30.488 6.105 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 26 31.698 7.642 3.913 1.00 0.00 H new ATOM 0 HG21 THR A 26 32.974 6.171 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 26 32.309 5.651 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 26 32.930 7.307 1.264 1.00 0.00 H new ATOM 389 N GLN A 27 30.725 9.777 1.187 1.00 0.00 N ATOM 390 CA GLN A 27 31.066 11.151 0.838 1.00 0.00 C ATOM 391 C GLN A 27 30.053 11.706 -0.164 1.00 0.00 C ATOM 392 O GLN A 27 29.185 12.498 0.194 1.00 0.00 O ATOM 393 CB GLN A 27 32.526 11.265 0.364 1.00 0.00 C ATOM 394 CG GLN A 27 33.529 10.595 1.315 1.00 0.00 C ATOM 395 CD GLN A 27 33.390 11.072 2.757 1.00 0.00 C ATOM 396 OE1 GLN A 27 33.897 12.129 3.116 1.00 0.00 O ATOM 397 NE2 GLN A 27 32.700 10.309 3.602 1.00 0.00 N ATOM 0 H GLN A 27 30.556 9.675 2.188 1.00 0.00 H new ATOM 0 HA GLN A 27 31.002 11.774 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 27 32.616 10.814 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 27 32.785 12.319 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 27 33.389 9.515 1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 27 34.542 10.797 0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 27 32.288 9.434 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 27 32.583 10.600 4.573 1.00 0.00 H new ATOM 406 N GLY A 28 30.110 11.229 -1.403 1.00 0.00 N ATOM 407 CA GLY A 28 29.096 11.470 -2.407 1.00 0.00 C ATOM 408 C GLY A 28 29.325 10.572 -3.617 1.00 0.00 C ATOM 409 O GLY A 28 29.134 11.025 -4.740 1.00 0.00 O ATOM 0 H GLY A 28 30.882 10.652 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.108 11.282 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 28 29.119 12.516 -2.713 1.00 0.00 H new ATOM 413 N ASP A 29 29.725 9.306 -3.420 1.00 0.00 N ATOM 414 CA ASP A 29 30.002 8.421 -4.551 1.00 0.00 C ATOM 415 C ASP A 29 28.751 8.260 -5.429 1.00 0.00 C ATOM 416 O ASP A 29 28.802 8.489 -6.637 1.00 0.00 O ATOM 417 CB ASP A 29 30.554 7.087 -4.036 1.00 0.00 C ATOM 418 CG ASP A 29 31.197 6.234 -5.132 1.00 0.00 C ATOM 419 OD1 ASP A 29 30.716 6.297 -6.282 1.00 0.00 O ATOM 420 OD2 ASP A 29 32.178 5.538 -4.790 1.00 0.00 O ATOM 0 H ASP A 29 29.861 8.882 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 29 30.767 8.861 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.292 7.283 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.745 6.522 -3.573 1.00 0.00 H new ATOM 425 N VAL A 30 27.602 7.945 -4.811 1.00 0.00 N ATOM 426 CA VAL A 30 26.315 7.969 -5.509 1.00 0.00 C ATOM 427 C VAL A 30 26.141 9.306 -6.230 1.00 0.00 C ATOM 428 O VAL A 30 25.837 9.322 -7.418 1.00 0.00 O ATOM 429 CB VAL A 30 25.145 7.667 -4.546 1.00 0.00 C ATOM 430 CG1 VAL A 30 23.792 8.120 -5.109 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.052 6.158 -4.302 1.00 0.00 C ATOM 0 H VAL A 30 27.542 7.671 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 30 26.306 7.178 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 30 25.350 8.214 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.003 7.885 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.813 9.195 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.597 7.602 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.226 5.950 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 30 24.881 5.646 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 30 25.983 5.803 -3.861 1.00 0.00 H new ATOM 441 N GLY A 31 26.348 10.419 -5.521 1.00 0.00 N ATOM 442 CA GLY A 31 26.245 11.759 -6.082 1.00 0.00 C ATOM 443 C GLY A 31 27.079 11.924 -7.353 1.00 0.00 C ATOM 444 O GLY A 31 26.605 12.485 -8.335 1.00 0.00 O ATOM 0 H GLY A 31 26.594 10.410 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.201 11.977 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 31 26.571 12.487 -5.339 1.00 0.00 H new ATOM 448 N LEU A 32 28.321 11.436 -7.351 1.00 0.00 N ATOM 449 CA LEU A 32 29.218 11.494 -8.500 1.00 0.00 C ATOM 450 C LEU A 32 28.661 10.665 -9.651 1.00 0.00 C ATOM 451 O LEU A 32 28.554 11.134 -10.783 1.00 0.00 O ATOM 452 CB LEU A 32 30.595 10.970 -8.083 1.00 0.00 C ATOM 453 CG LEU A 32 31.676 11.087 -9.170 1.00 0.00 C ATOM 454 CD1 LEU A 32 31.930 12.539 -9.594 1.00 0.00 C ATOM 455 CD2 LEU A 32 32.979 10.477 -8.644 1.00 0.00 C ATOM 0 H LEU A 32 28.736 10.983 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 32 29.308 12.526 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 32 30.925 11.516 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.500 9.923 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 32 31.320 10.550 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.702 12.564 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.010 12.969 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.259 13.118 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.752 10.555 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.297 11.013 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.816 9.427 -8.399 1.00 0.00 H new ATOM 467 N ALA A 33 28.331 9.412 -9.347 1.00 0.00 N ATOM 468 CA ALA A 33 27.799 8.478 -10.328 1.00 0.00 C ATOM 469 C ALA A 33 26.539 9.054 -10.988 1.00 0.00 C ATOM 470 O ALA A 33 26.490 9.235 -12.200 1.00 0.00 O ATOM 471 CB ALA A 33 27.559 7.123 -9.662 1.00 0.00 C ATOM 0 H ALA A 33 28.426 9.018 -8.411 1.00 0.00 H new ATOM 0 HA ALA A 33 28.521 8.324 -11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.160 6.422 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.500 6.739 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.845 7.240 -8.847 1.00 0.00 H new ATOM 477 N MET A 34 25.524 9.389 -10.190 1.00 0.00 N ATOM 478 CA MET A 34 24.353 10.135 -10.616 1.00 0.00 C ATOM 479 C MET A 34 24.747 11.401 -11.371 1.00 0.00 C ATOM 480 O MET A 34 24.150 11.707 -12.394 1.00 0.00 O ATOM 481 CB MET A 34 23.536 10.478 -9.372 1.00 0.00 C ATOM 482 CG MET A 34 22.083 10.359 -9.779 1.00 0.00 C ATOM 483 SD MET A 34 20.831 10.677 -8.532 1.00 0.00 S ATOM 484 CE MET A 34 21.433 9.586 -7.237 1.00 0.00 C ATOM 0 H MET A 34 25.499 9.138 -9.202 1.00 0.00 H new ATOM 0 HA MET A 34 23.760 9.530 -11.302 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.768 9.797 -8.553 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.762 11.486 -9.023 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.911 11.046 -10.608 1.00 0.00 H new ATOM 0 HG3 MET A 34 21.925 9.351 -10.162 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.774 9.650 -6.371 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.451 8.560 -7.605 1.00 0.00 H new ATOM 0 HE3 MET A 34 22.441 9.885 -6.948 1.00 0.00 H new ATOM 494 N GLY A 35 25.755 12.116 -10.881 1.00 0.00 N ATOM 495 CA GLY A 35 26.388 13.233 -11.565 1.00 0.00 C ATOM 496 C GLY A 35 26.656 12.922 -13.032 1.00 0.00 C ATOM 497 O GLY A 35 26.234 13.667 -13.913 1.00 0.00 O ATOM 0 H GLY A 35 26.165 11.926 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.749 14.113 -11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.327 13.478 -11.068 1.00 0.00 H new ATOM 501 N LYS A 36 27.354 11.818 -13.287 1.00 0.00 N ATOM 502 CA LYS A 36 27.654 11.375 -14.640 1.00 0.00 C ATOM 503 C LYS A 36 26.384 10.941 -15.383 1.00 0.00 C ATOM 504 O LYS A 36 26.170 11.326 -16.530 1.00 0.00 O ATOM 505 CB LYS A 36 28.677 10.241 -14.587 1.00 0.00 C ATOM 506 CG LYS A 36 30.013 10.740 -14.027 1.00 0.00 C ATOM 507 CD LYS A 36 30.895 9.526 -13.742 1.00 0.00 C ATOM 508 CE LYS A 36 32.282 9.923 -13.223 1.00 0.00 C ATOM 509 NZ LYS A 36 33.064 10.648 -14.239 1.00 0.00 N ATOM 0 H LYS A 36 27.726 11.208 -12.559 1.00 0.00 H new ATOM 0 HA LYS A 36 28.077 12.211 -15.197 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.297 9.431 -13.965 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.826 9.833 -15.587 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.500 11.404 -14.741 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.852 11.315 -13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.404 8.887 -13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 36 31.005 8.938 -14.653 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.172 10.547 -12.336 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.825 9.028 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 34.038 10.779 -13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 33.076 10.101 -15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.630 11.577 -14.413 1.00 0.00 H new ATOM 523 N LEU A 37 25.567 10.098 -14.748 1.00 0.00 N ATOM 524 CA LEU A 37 24.445 9.424 -15.394 1.00 0.00 C ATOM 525 C LEU A 37 23.291 10.380 -15.711 1.00 0.00 C ATOM 526 O LEU A 37 22.782 10.395 -16.829 1.00 0.00 O ATOM 527 CB LEU A 37 23.943 8.286 -14.492 1.00 0.00 C ATOM 528 CG LEU A 37 24.993 7.191 -14.241 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.609 6.403 -12.986 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.117 6.236 -15.432 1.00 0.00 C ATOM 0 H LEU A 37 25.669 9.863 -13.761 1.00 0.00 H new ATOM 0 HA LEU A 37 24.804 9.026 -16.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.630 8.703 -13.535 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.061 7.835 -14.947 1.00 0.00 H new ATOM 0 HG LEU A 37 25.960 7.674 -14.104 1.00 0.00 H new ATOM 0 HD11 LEU A 37 25.351 5.625 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 37 24.572 7.077 -12.130 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.630 5.945 -13.129 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.869 5.478 -15.214 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.157 5.753 -15.613 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.414 6.797 -16.318 1.00 0.00 H new ATOM 542 N TYR A 38 22.828 11.109 -14.693 1.00 0.00 N ATOM 543 CA TYR A 38 21.615 11.916 -14.704 1.00 0.00 C ATOM 544 C TYR A 38 21.939 13.405 -14.520 1.00 0.00 C ATOM 545 O TYR A 38 21.542 14.233 -15.336 1.00 0.00 O ATOM 546 CB TYR A 38 20.668 11.460 -13.579 1.00 0.00 C ATOM 547 CG TYR A 38 20.384 9.975 -13.399 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.309 9.090 -14.490 1.00 0.00 C ATOM 549 CD2 TYR A 38 19.988 9.526 -12.127 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.882 7.764 -14.285 1.00 0.00 C ATOM 551 CE2 TYR A 38 19.402 8.264 -11.951 1.00 0.00 C ATOM 552 CZ TYR A 38 19.412 7.356 -13.025 1.00 0.00 C ATOM 553 OH TYR A 38 18.944 6.088 -12.866 1.00 0.00 O ATOM 0 H TYR A 38 23.315 11.152 -13.798 1.00 0.00 H new ATOM 0 HA TYR A 38 21.132 11.781 -15.672 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.074 11.832 -12.638 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.712 11.960 -13.733 1.00 0.00 H new ATOM 0 HD1 TYR A 38 20.578 9.426 -15.481 1.00 0.00 H new ATOM 0 HD2 TYR A 38 20.138 10.165 -11.269 1.00 0.00 H new ATOM 0 HE1 TYR A 38 19.916 7.057 -15.100 1.00 0.00 H new ATOM 0 HE2 TYR A 38 18.951 7.994 -11.007 1.00 0.00 H new ATOM 0 HH TYR A 38 18.398 6.040 -12.054 1.00 0.00 H new ATOM 563 N GLY A 39 22.599 13.755 -13.411 1.00 0.00 N ATOM 564 CA GLY A 39 22.832 15.126 -12.984 1.00 0.00 C ATOM 565 C GLY A 39 23.357 15.149 -11.545 1.00 0.00 C ATOM 566 O GLY A 39 23.093 14.235 -10.765 1.00 0.00 O ATOM 0 H GLY A 39 22.995 13.066 -12.771 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.551 15.605 -13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 39 21.906 15.698 -13.051 1.00 0.00 H new ATOM 570 N ASN A 40 24.131 16.186 -11.202 1.00 0.00 N ATOM 571 CA ASN A 40 24.902 16.293 -9.959 1.00 0.00 C ATOM 572 C ASN A 40 24.040 16.641 -8.742 1.00 0.00 C ATOM 573 O ASN A 40 24.261 17.649 -8.071 1.00 0.00 O ATOM 574 CB ASN A 40 26.075 17.270 -10.154 1.00 0.00 C ATOM 575 CG ASN A 40 25.643 18.642 -10.673 1.00 0.00 C ATOM 576 OD1 ASN A 40 25.768 18.917 -11.861 1.00 0.00 O ATOM 577 ND2 ASN A 40 25.115 19.503 -9.812 1.00 0.00 N ATOM 0 H ASN A 40 24.241 17.002 -11.804 1.00 0.00 H new ATOM 0 HA ASN A 40 25.310 15.307 -9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.595 17.396 -9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.789 16.834 -10.853 1.00 0.00 H new ATOM 0 HD21 ASN A 40 24.802 20.419 -10.134 1.00 0.00 H new ATOM 0 HD22 ASN A 40 25.022 19.249 -8.829 1.00 0.00 H new ATOM 584 N ASP A 41 23.084 15.768 -8.431 1.00 0.00 N ATOM 585 CA ASP A 41 22.261 15.829 -7.228 1.00 0.00 C ATOM 586 C ASP A 41 22.666 14.659 -6.314 1.00 0.00 C ATOM 587 O ASP A 41 23.478 13.827 -6.711 1.00 0.00 O ATOM 588 CB ASP A 41 20.790 15.823 -7.681 1.00 0.00 C ATOM 589 CG ASP A 41 19.778 16.090 -6.570 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.211 16.524 -5.479 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.578 15.874 -6.838 1.00 0.00 O ATOM 0 H ASP A 41 22.855 14.974 -9.029 1.00 0.00 H new ATOM 0 HA ASP A 41 22.405 16.734 -6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.661 16.575 -8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.567 14.856 -8.132 1.00 0.00 H new ATOM 596 N PHE A 42 22.122 14.579 -5.096 1.00 0.00 N ATOM 597 CA PHE A 42 22.355 13.480 -4.157 1.00 0.00 C ATOM 598 C PHE A 42 23.799 13.437 -3.662 1.00 0.00 C ATOM 599 O PHE A 42 24.365 12.372 -3.415 1.00 0.00 O ATOM 600 CB PHE A 42 21.857 12.143 -4.730 1.00 0.00 C ATOM 601 CG PHE A 42 20.375 12.154 -5.063 1.00 0.00 C ATOM 602 CD1 PHE A 42 19.955 12.694 -6.289 1.00 0.00 C ATOM 603 CD2 PHE A 42 19.407 11.729 -4.132 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.593 12.778 -6.605 1.00 0.00 C ATOM 605 CE2 PHE A 42 18.040 11.857 -4.424 1.00 0.00 C ATOM 606 CZ PHE A 42 17.634 12.378 -5.664 1.00 0.00 C ATOM 0 H PHE A 42 21.493 15.293 -4.728 1.00 0.00 H new ATOM 0 HA PHE A 42 21.757 13.670 -3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.424 11.906 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.056 11.349 -4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 42 20.690 13.049 -6.996 1.00 0.00 H new ATOM 0 HD2 PHE A 42 19.718 11.303 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.283 13.150 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.301 11.555 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.582 12.470 -5.892 1.00 0.00 H new ATOM 616 N SER A 43 24.357 14.618 -3.404 1.00 0.00 N ATOM 617 CA SER A 43 25.641 14.822 -2.760 1.00 0.00 C ATOM 618 C SER A 43 25.519 14.547 -1.256 1.00 0.00 C ATOM 619 O SER A 43 25.759 15.447 -0.455 1.00 0.00 O ATOM 620 CB SER A 43 26.012 16.286 -3.026 1.00 0.00 C ATOM 621 OG SER A 43 24.867 17.093 -2.790 1.00 0.00 O ATOM 0 H SER A 43 23.900 15.496 -3.652 1.00 0.00 H new ATOM 0 HA SER A 43 26.407 14.149 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 43 26.832 16.593 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.356 16.409 -4.053 1.00 0.00 H new ATOM 0 HG SER A 43 24.404 16.777 -1.986 1.00 0.00 H new ATOM 627 N GLN A 44 25.087 13.341 -0.868 1.00 0.00 N ATOM 628 CA GLN A 44 24.791 12.949 0.516 1.00 0.00 C ATOM 629 C GLN A 44 23.494 13.606 1.016 1.00 0.00 C ATOM 630 O GLN A 44 22.589 12.924 1.498 1.00 0.00 O ATOM 631 CB GLN A 44 25.980 13.260 1.446 1.00 0.00 C ATOM 632 CG GLN A 44 26.127 12.275 2.619 1.00 0.00 C ATOM 633 CD GLN A 44 26.475 10.847 2.196 1.00 0.00 C ATOM 634 OE1 GLN A 44 26.002 9.884 2.793 1.00 0.00 O ATOM 635 NE2 GLN A 44 27.300 10.680 1.168 1.00 0.00 N ATOM 0 H GLN A 44 24.928 12.584 -1.533 1.00 0.00 H new ATOM 0 HA GLN A 44 24.635 11.870 0.533 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.899 13.252 0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.864 14.268 1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.902 12.642 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 44 25.195 12.258 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 44 27.683 11.492 0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 44 27.550 9.740 0.862 1.00 0.00 H new ATOM 644 N THR A 45 23.410 14.932 0.894 1.00 0.00 N ATOM 645 CA THR A 45 22.285 15.786 1.229 1.00 0.00 C ATOM 646 C THR A 45 20.955 15.166 0.796 1.00 0.00 C ATOM 647 O THR A 45 20.151 14.752 1.629 1.00 0.00 O ATOM 648 CB THR A 45 22.513 17.142 0.537 1.00 0.00 C ATOM 649 OG1 THR A 45 22.913 16.926 -0.809 1.00 0.00 O ATOM 650 CG2 THR A 45 23.612 17.943 1.241 1.00 0.00 C ATOM 0 H THR A 45 24.194 15.473 0.528 1.00 0.00 H new ATOM 0 HA THR A 45 22.225 15.912 2.310 1.00 0.00 H new ATOM 0 HB THR A 45 21.579 17.702 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 45 22.933 17.782 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.751 18.896 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.323 18.125 2.276 1.00 0.00 H new ATOM 0 HG23 THR A 45 24.545 17.379 1.218 1.00 0.00 H new ATOM 658 N THR A 46 20.709 15.118 -0.511 1.00 0.00 N ATOM 659 CA THR A 46 19.424 14.730 -1.066 1.00 0.00 C ATOM 660 C THR A 46 19.072 13.279 -0.707 1.00 0.00 C ATOM 661 O THR A 46 17.905 12.963 -0.486 1.00 0.00 O ATOM 662 CB THR A 46 19.427 15.014 -2.577 1.00 0.00 C ATOM 663 OG1 THR A 46 20.413 15.994 -2.866 1.00 0.00 O ATOM 664 CG2 THR A 46 18.068 15.507 -3.073 1.00 0.00 C ATOM 0 H THR A 46 21.406 15.351 -1.218 1.00 0.00 H new ATOM 0 HA THR A 46 18.628 15.327 -0.622 1.00 0.00 H new ATOM 0 HB THR A 46 19.649 14.079 -3.091 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.230 16.394 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.118 15.694 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.311 14.749 -2.872 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.805 16.429 -2.555 1.00 0.00 H new ATOM 672 N ILE A 47 20.075 12.401 -0.595 1.00 0.00 N ATOM 673 CA ILE A 47 19.894 11.044 -0.083 1.00 0.00 C ATOM 674 C ILE A 47 19.366 11.111 1.353 1.00 0.00 C ATOM 675 O ILE A 47 18.316 10.547 1.661 1.00 0.00 O ATOM 676 CB ILE A 47 21.215 10.250 -0.216 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.524 9.857 -1.659 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.287 8.994 0.653 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.558 8.852 -2.299 1.00 0.00 C ATOM 0 H ILE A 47 21.037 12.615 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 47 19.151 10.505 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 47 21.966 10.953 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.534 10.761 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.530 9.438 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.246 8.499 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.187 9.271 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.479 8.315 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.873 8.646 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.563 7.926 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.551 9.269 -2.307 1.00 0.00 H new ATOM 691 N SER A 48 20.056 11.845 2.226 1.00 0.00 N ATOM 692 CA SER A 48 19.621 12.024 3.605 1.00 0.00 C ATOM 693 C SER A 48 18.179 12.546 3.651 1.00 0.00 C ATOM 694 O SER A 48 17.335 11.995 4.357 1.00 0.00 O ATOM 695 CB SER A 48 20.591 12.950 4.348 1.00 0.00 C ATOM 696 OG SER A 48 21.924 12.501 4.183 1.00 0.00 O ATOM 0 H SER A 48 20.925 12.327 1.997 1.00 0.00 H new ATOM 0 HA SER A 48 19.631 11.059 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.494 13.968 3.970 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.338 12.978 5.408 1.00 0.00 H new ATOM 0 HG SER A 48 22.254 12.773 3.301 1.00 0.00 H new ATOM 702 N ARG A 49 17.885 13.588 2.864 1.00 0.00 N ATOM 703 CA ARG A 49 16.534 14.120 2.745 1.00 0.00 C ATOM 704 C ARG A 49 15.546 13.044 2.299 1.00 0.00 C ATOM 705 O ARG A 49 14.441 12.984 2.830 1.00 0.00 O ATOM 706 CB ARG A 49 16.484 15.312 1.784 1.00 0.00 C ATOM 707 CG ARG A 49 17.193 16.538 2.373 1.00 0.00 C ATOM 708 CD ARG A 49 17.010 17.775 1.490 1.00 0.00 C ATOM 709 NE ARG A 49 15.598 18.175 1.398 1.00 0.00 N ATOM 710 CZ ARG A 49 15.160 19.374 0.988 1.00 0.00 C ATOM 711 NH1 ARG A 49 16.019 20.302 0.554 1.00 0.00 N ATOM 712 NH2 ARG A 49 13.850 19.630 1.017 1.00 0.00 N ATOM 0 H ARG A 49 18.576 14.079 2.297 1.00 0.00 H new ATOM 0 HA ARG A 49 16.241 14.465 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.953 15.039 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.446 15.561 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.802 16.741 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.256 16.325 2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.596 18.600 1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.396 17.569 0.491 1.00 0.00 H new ATOM 0 HE ARG A 49 14.896 17.486 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.019 20.101 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.675 21.211 0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.198 18.918 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.501 20.537 0.708 1.00 0.00 H new ATOM 726 N PHE A 50 15.922 12.210 1.326 1.00 0.00 N ATOM 727 CA PHE A 50 15.073 11.133 0.836 1.00 0.00 C ATOM 728 C PHE A 50 14.697 10.196 1.976 1.00 0.00 C ATOM 729 O PHE A 50 13.515 9.989 2.243 1.00 0.00 O ATOM 730 CB PHE A 50 15.786 10.359 -0.276 1.00 0.00 C ATOM 731 CG PHE A 50 14.944 9.325 -1.001 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.637 9.624 -1.426 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.513 8.083 -1.334 1.00 0.00 C ATOM 734 CE1 PHE A 50 12.906 8.693 -2.181 1.00 0.00 C ATOM 735 CE2 PHE A 50 14.779 7.152 -2.083 1.00 0.00 C ATOM 736 CZ PHE A 50 13.483 7.463 -2.527 1.00 0.00 C ATOM 0 H PHE A 50 16.827 12.267 0.858 1.00 0.00 H new ATOM 0 HA PHE A 50 14.160 11.567 0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.161 11.074 -1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.654 9.858 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.193 10.575 -1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.516 7.846 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.899 8.924 -2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.212 6.191 -2.320 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.933 6.757 -3.132 1.00 0.00 H new ATOM 746 N GLU A 51 15.702 9.659 2.672 1.00 0.00 N ATOM 747 CA GLU A 51 15.445 8.807 3.834 1.00 0.00 C ATOM 748 C GLU A 51 14.606 9.535 4.892 1.00 0.00 C ATOM 749 O GLU A 51 13.737 8.922 5.504 1.00 0.00 O ATOM 750 CB GLU A 51 16.733 8.237 4.445 1.00 0.00 C ATOM 751 CG GLU A 51 17.320 7.083 3.618 1.00 0.00 C ATOM 752 CD GLU A 51 18.152 7.585 2.446 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.274 8.052 2.732 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.665 7.490 1.298 1.00 0.00 O ATOM 0 H GLU A 51 16.689 9.797 2.455 1.00 0.00 H new ATOM 0 HA GLU A 51 14.866 7.958 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.474 9.032 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.527 7.886 5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.939 6.456 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.510 6.456 3.245 1.00 0.00 H new ATOM 761 N ALA A 52 14.842 10.833 5.102 1.00 0.00 N ATOM 762 CA ALA A 52 14.042 11.646 6.017 1.00 0.00 C ATOM 763 C ALA A 52 12.670 12.036 5.437 1.00 0.00 C ATOM 764 O ALA A 52 11.900 12.721 6.105 1.00 0.00 O ATOM 765 CB ALA A 52 14.838 12.896 6.404 1.00 0.00 C ATOM 0 H ALA A 52 15.593 11.348 4.642 1.00 0.00 H new ATOM 0 HA ALA A 52 13.835 11.041 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.247 13.507 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.766 12.600 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.068 13.472 5.508 1.00 0.00 H new ATOM 771 N LEU A 53 12.364 11.638 4.198 1.00 0.00 N ATOM 772 CA LEU A 53 11.183 12.023 3.437 1.00 0.00 C ATOM 773 C LEU A 53 10.970 13.541 3.389 1.00 0.00 C ATOM 774 O LEU A 53 9.850 14.017 3.209 1.00 0.00 O ATOM 775 CB LEU A 53 9.928 11.260 3.896 1.00 0.00 C ATOM 776 CG LEU A 53 10.084 9.729 3.826 1.00 0.00 C ATOM 777 CD1 LEU A 53 10.426 9.154 5.207 1.00 0.00 C ATOM 778 CD2 LEU A 53 8.770 9.078 3.359 1.00 0.00 C ATOM 0 H LEU A 53 12.970 11.005 3.676 1.00 0.00 H new ATOM 0 HA LEU A 53 11.371 11.723 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.691 11.547 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.082 11.560 3.277 1.00 0.00 H new ATOM 0 HG LEU A 53 10.887 9.514 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.532 8.072 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.362 9.587 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.628 9.394 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.896 7.996 3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.973 9.322 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.509 9.454 2.370 1.00 0.00 H new ATOM 790 N ASN A 54 12.050 14.326 3.433 1.00 0.00 N ATOM 791 CA ASN A 54 11.997 15.784 3.509 1.00 0.00 C ATOM 792 C ASN A 54 11.829 16.401 2.116 1.00 0.00 C ATOM 793 O ASN A 54 12.386 17.455 1.817 1.00 0.00 O ATOM 794 CB ASN A 54 13.255 16.305 4.221 1.00 0.00 C ATOM 795 CG ASN A 54 13.153 17.796 4.544 1.00 0.00 C ATOM 796 OD1 ASN A 54 12.172 18.242 5.130 1.00 0.00 O ATOM 797 ND2 ASN A 54 14.159 18.588 4.181 1.00 0.00 N ATOM 0 H ASN A 54 13.001 13.957 3.416 1.00 0.00 H new ATOM 0 HA ASN A 54 11.125 16.084 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.409 15.744 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 54 14.127 16.129 3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 54 14.123 19.586 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.966 18.197 3.694 1.00 0.00 H new ATOM 804 N LEU A 55 11.076 15.720 1.250 1.00 0.00 N ATOM 805 CA LEU A 55 10.774 16.127 -0.119 1.00 0.00 C ATOM 806 C LEU A 55 9.305 15.816 -0.463 1.00 0.00 C ATOM 807 O LEU A 55 8.941 15.757 -1.639 1.00 0.00 O ATOM 808 CB LEU A 55 11.757 15.428 -1.075 1.00 0.00 C ATOM 809 CG LEU A 55 13.203 15.946 -1.006 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.127 14.977 -1.753 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.343 17.343 -1.620 1.00 0.00 C ATOM 0 H LEU A 55 10.642 14.831 1.497 1.00 0.00 H new ATOM 0 HA LEU A 55 10.899 17.205 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.758 14.360 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.393 15.544 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 55 13.481 16.011 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.153 15.343 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.071 13.992 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.815 14.907 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.381 17.669 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.043 17.312 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.705 18.043 -1.080 1.00 0.00 H new ATOM 823 N SER A 56 8.472 15.639 0.570 1.00 0.00 N ATOM 824 CA SER A 56 7.016 15.547 0.553 1.00 0.00 C ATOM 825 C SER A 56 6.392 14.994 -0.733 1.00 0.00 C ATOM 826 O SER A 56 5.576 15.667 -1.361 1.00 0.00 O ATOM 827 CB SER A 56 6.449 16.922 0.916 1.00 0.00 C ATOM 828 OG SER A 56 7.116 17.401 2.071 1.00 0.00 O ATOM 0 H SER A 56 8.836 15.549 1.519 1.00 0.00 H new ATOM 0 HA SER A 56 6.740 14.795 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.584 17.617 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.377 16.851 1.101 1.00 0.00 H new ATOM 0 HG SER A 56 6.762 18.282 2.311 1.00 0.00 H new ATOM 834 N PHE A 57 6.730 13.750 -1.086 1.00 0.00 N ATOM 835 CA PHE A 57 6.138 12.961 -2.164 1.00 0.00 C ATOM 836 C PHE A 57 6.454 13.476 -3.574 1.00 0.00 C ATOM 837 O PHE A 57 6.995 12.735 -4.391 1.00 0.00 O ATOM 838 CB PHE A 57 4.628 12.764 -1.962 1.00 0.00 C ATOM 839 CG PHE A 57 4.065 11.684 -2.866 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.372 10.338 -2.597 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.395 12.021 -4.057 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.040 9.336 -3.522 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.018 11.012 -4.961 1.00 0.00 C ATOM 844 CZ PHE A 57 3.343 9.669 -4.696 1.00 0.00 C ATOM 0 H PHE A 57 7.466 13.240 -0.598 1.00 0.00 H new ATOM 0 HA PHE A 57 6.623 11.987 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.433 12.503 -0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.111 13.704 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.866 10.074 -1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.170 13.054 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.320 8.310 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.478 11.268 -5.860 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.057 8.895 -5.393 1.00 0.00 H new ATOM 854 N LYS A 58 6.087 14.726 -3.870 1.00 0.00 N ATOM 855 CA LYS A 58 6.119 15.345 -5.190 1.00 0.00 C ATOM 856 C LYS A 58 7.378 14.996 -5.992 1.00 0.00 C ATOM 857 O LYS A 58 7.292 14.481 -7.105 1.00 0.00 O ATOM 858 CB LYS A 58 5.904 16.862 -5.038 1.00 0.00 C ATOM 859 CG LYS A 58 6.931 17.576 -4.142 1.00 0.00 C ATOM 860 CD LYS A 58 6.436 18.982 -3.790 1.00 0.00 C ATOM 861 CE LYS A 58 7.469 19.708 -2.922 1.00 0.00 C ATOM 862 NZ LYS A 58 7.005 21.056 -2.550 1.00 0.00 N ATOM 0 H LYS A 58 5.741 15.364 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 58 5.303 14.933 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.928 17.318 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.907 17.034 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.092 17.000 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.891 17.638 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.254 19.550 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.486 18.918 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.663 19.126 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.413 19.782 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.726 21.522 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.844 21.617 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.117 20.982 -2.014 1.00 0.00 H new ATOM 876 N ASN A 59 8.551 15.273 -5.420 1.00 0.00 N ATOM 877 CA ASN A 59 9.823 14.943 -6.046 1.00 0.00 C ATOM 878 C ASN A 59 10.090 13.454 -5.891 1.00 0.00 C ATOM 879 O ASN A 59 10.430 12.759 -6.845 1.00 0.00 O ATOM 880 CB ASN A 59 10.943 15.723 -5.357 1.00 0.00 C ATOM 881 CG ASN A 59 12.293 15.421 -5.998 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.093 14.679 -5.444 1.00 0.00 O ATOM 883 ND2 ASN A 59 12.559 15.987 -7.172 1.00 0.00 N ATOM 0 H ASN A 59 8.641 15.731 -4.513 1.00 0.00 H new ATOM 0 HA ASN A 59 9.786 15.204 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.738 16.792 -5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.973 15.465 -4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.450 15.807 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.872 16.601 -7.609 1.00 0.00 H new ATOM 890 N MET A 60 9.944 12.995 -4.651 1.00 0.00 N ATOM 891 CA MET A 60 10.267 11.651 -4.203 1.00 0.00 C ATOM 892 C MET A 60 9.765 10.573 -5.156 1.00 0.00 C ATOM 893 O MET A 60 10.490 9.633 -5.467 1.00 0.00 O ATOM 894 CB MET A 60 9.713 11.402 -2.803 1.00 0.00 C ATOM 895 CG MET A 60 10.301 12.365 -1.769 1.00 0.00 C ATOM 896 SD MET A 60 9.769 12.079 -0.065 1.00 0.00 S ATOM 897 CE MET A 60 10.553 10.483 0.241 1.00 0.00 C ATOM 0 H MET A 60 9.580 13.580 -3.899 1.00 0.00 H new ATOM 0 HA MET A 60 11.355 11.586 -4.184 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.628 11.507 -2.819 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.929 10.376 -2.506 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.388 12.298 -1.810 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.034 13.383 -2.051 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.050 9.983 1.069 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.481 9.865 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.603 10.635 0.493 1.00 0.00 H new ATOM 907 N CYS A 61 8.525 10.708 -5.616 1.00 0.00 N ATOM 908 CA CYS A 61 7.914 9.757 -6.533 1.00 0.00 C ATOM 909 C CYS A 61 8.695 9.638 -7.845 1.00 0.00 C ATOM 910 O CYS A 61 8.812 8.548 -8.398 1.00 0.00 O ATOM 911 CB CYS A 61 6.464 10.172 -6.780 1.00 0.00 C ATOM 912 SG CYS A 61 5.699 9.004 -7.925 1.00 0.00 S ATOM 0 H CYS A 61 7.915 11.484 -5.361 1.00 0.00 H new ATOM 0 HA CYS A 61 7.936 8.766 -6.079 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.913 10.191 -5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.427 11.181 -7.192 1.00 0.00 H new ATOM 0 HG CYS A 61 6.620 8.271 -8.477 1.00 0.00 H new ATOM 917 N LYS A 62 9.264 10.747 -8.326 1.00 0.00 N ATOM 918 CA LYS A 62 10.125 10.768 -9.501 1.00 0.00 C ATOM 919 C LYS A 62 11.535 10.291 -9.129 1.00 0.00 C ATOM 920 O LYS A 62 12.212 9.629 -9.912 1.00 0.00 O ATOM 921 CB LYS A 62 10.171 12.187 -10.089 1.00 0.00 C ATOM 922 CG LYS A 62 8.774 12.812 -10.211 1.00 0.00 C ATOM 923 CD LYS A 62 8.843 14.102 -11.036 1.00 0.00 C ATOM 924 CE LYS A 62 7.484 14.814 -11.071 1.00 0.00 C ATOM 925 NZ LYS A 62 7.154 15.443 -9.779 1.00 0.00 N ATOM 0 H LYS A 62 9.135 11.665 -7.901 1.00 0.00 H new ATOM 0 HA LYS A 62 9.720 10.092 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.796 12.819 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.640 12.155 -11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.091 12.106 -10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.375 13.026 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.594 14.768 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.161 13.870 -12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.494 15.574 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.706 14.097 -11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.206 15.868 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.169 14.723 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.854 16.182 -9.564 1.00 0.00 H new ATOM 939 N LEU A 63 11.982 10.642 -7.923 1.00 0.00 N ATOM 940 CA LEU A 63 13.307 10.314 -7.417 1.00 0.00 C ATOM 941 C LEU A 63 13.498 8.801 -7.233 1.00 0.00 C ATOM 942 O LEU A 63 14.508 8.245 -7.669 1.00 0.00 O ATOM 943 CB LEU A 63 13.640 11.248 -6.229 1.00 0.00 C ATOM 944 CG LEU A 63 13.894 10.721 -4.805 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.089 9.773 -4.723 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.166 11.946 -3.913 1.00 0.00 C ATOM 0 H LEU A 63 11.418 11.173 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 63 14.084 10.526 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.528 11.811 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.820 11.962 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 63 13.021 10.152 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.216 9.436 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.915 8.912 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.990 10.294 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.352 11.617 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.039 12.481 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.300 12.608 -3.930 1.00 0.00 H new ATOM 958 N LYS A 64 12.511 8.119 -6.641 1.00 0.00 N ATOM 959 CA LYS A 64 12.527 6.675 -6.422 1.00 0.00 C ATOM 960 C LYS A 64 13.004 5.875 -7.648 1.00 0.00 C ATOM 961 O LYS A 64 14.015 5.182 -7.541 1.00 0.00 O ATOM 962 CB LYS A 64 11.171 6.199 -5.872 1.00 0.00 C ATOM 963 CG LYS A 64 11.055 4.665 -5.848 1.00 0.00 C ATOM 964 CD LYS A 64 9.916 4.154 -4.955 1.00 0.00 C ATOM 965 CE LYS A 64 8.546 4.689 -5.394 1.00 0.00 C ATOM 966 NZ LYS A 64 7.472 4.203 -4.511 1.00 0.00 N ATOM 0 H LYS A 64 11.663 8.568 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 64 13.280 6.469 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.035 6.587 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.369 6.612 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.900 4.304 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.997 4.242 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.902 3.064 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.106 4.450 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.560 5.779 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.344 4.379 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.559 4.582 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.444 3.164 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.653 4.520 -3.537 1.00 0.00 H new ATOM 980 N PRO A 65 12.316 5.917 -8.803 1.00 0.00 N ATOM 981 CA PRO A 65 12.715 5.141 -9.965 1.00 0.00 C ATOM 982 C PRO A 65 14.118 5.505 -10.453 1.00 0.00 C ATOM 983 O PRO A 65 14.838 4.616 -10.904 1.00 0.00 O ATOM 984 CB PRO A 65 11.636 5.366 -11.030 1.00 0.00 C ATOM 985 CG PRO A 65 10.988 6.682 -10.614 1.00 0.00 C ATOM 986 CD PRO A 65 11.094 6.642 -9.089 1.00 0.00 C ATOM 0 HA PRO A 65 12.786 4.082 -9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.067 5.430 -12.029 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.913 4.551 -11.046 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.511 7.541 -11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.952 6.746 -10.946 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.128 7.648 -8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.230 6.144 -8.649 1.00 0.00 H new ATOM 994 N LEU A 66 14.537 6.775 -10.353 1.00 0.00 N ATOM 995 CA LEU A 66 15.881 7.158 -10.782 1.00 0.00 C ATOM 996 C LEU A 66 16.853 6.379 -9.897 1.00 0.00 C ATOM 997 O LEU A 66 17.786 5.763 -10.408 1.00 0.00 O ATOM 998 CB LEU A 66 16.135 8.667 -10.616 1.00 0.00 C ATOM 999 CG LEU A 66 16.265 9.412 -11.953 1.00 0.00 C ATOM 1000 CD1 LEU A 66 14.909 9.438 -12.668 1.00 0.00 C ATOM 1001 CD2 LEU A 66 16.723 10.854 -11.701 1.00 0.00 C ATOM 0 H LEU A 66 13.972 7.540 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 66 16.009 6.933 -11.841 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.318 9.105 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.046 8.813 -10.036 1.00 0.00 H new ATOM 0 HG LEU A 66 16.997 8.896 -12.574 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.007 9.968 -13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.577 8.417 -12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.177 9.948 -12.042 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.814 11.378 -12.652 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.992 11.364 -11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.690 10.846 -11.197 1.00 0.00 H new ATOM 1013 N LEU A 67 16.646 6.386 -8.575 1.00 0.00 N ATOM 1014 CA LEU A 67 17.508 5.644 -7.675 1.00 0.00 C ATOM 1015 C LEU A 67 17.414 4.143 -7.922 1.00 0.00 C ATOM 1016 O LEU A 67 18.424 3.454 -7.855 1.00 0.00 O ATOM 1017 CB LEU A 67 17.190 5.966 -6.218 1.00 0.00 C ATOM 1018 CG LEU A 67 17.368 7.439 -5.830 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.581 7.531 -4.318 1.00 0.00 C ATOM 1020 CD2 LEU A 67 18.533 8.153 -6.517 1.00 0.00 C ATOM 0 H LEU A 67 15.892 6.897 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 67 18.533 5.955 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.161 5.673 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.829 5.357 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 67 16.459 7.941 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.709 8.575 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.715 7.117 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.472 6.967 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.576 9.188 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.467 7.650 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.387 8.131 -7.597 1.00 0.00 H new ATOM 1032 N GLU A 68 16.226 3.610 -8.207 1.00 0.00 N ATOM 1033 CA GLU A 68 16.064 2.190 -8.494 1.00 0.00 C ATOM 1034 C GLU A 68 16.923 1.801 -9.704 1.00 0.00 C ATOM 1035 O GLU A 68 17.729 0.871 -9.641 1.00 0.00 O ATOM 1036 CB GLU A 68 14.576 1.883 -8.702 1.00 0.00 C ATOM 1037 CG GLU A 68 14.298 0.376 -8.691 1.00 0.00 C ATOM 1038 CD GLU A 68 12.797 0.109 -8.709 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.238 0.082 -9.826 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.235 -0.037 -7.601 1.00 0.00 O ATOM 0 H GLU A 68 15.359 4.146 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 68 16.410 1.589 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.992 2.366 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.247 2.306 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.767 -0.092 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.743 -0.075 -7.804 1.00 0.00 H new ATOM 1047 N LYS A 69 16.779 2.547 -10.801 1.00 0.00 N ATOM 1048 CA LYS A 69 17.593 2.354 -11.991 1.00 0.00 C ATOM 1049 C LYS A 69 19.073 2.579 -11.661 1.00 0.00 C ATOM 1050 O LYS A 69 19.930 1.830 -12.130 1.00 0.00 O ATOM 1051 CB LYS A 69 17.074 3.261 -13.116 1.00 0.00 C ATOM 1052 CG LYS A 69 17.884 3.178 -14.420 1.00 0.00 C ATOM 1053 CD LYS A 69 18.081 1.758 -14.975 1.00 0.00 C ATOM 1054 CE LYS A 69 16.759 1.024 -15.229 1.00 0.00 C ATOM 1055 NZ LYS A 69 16.991 -0.311 -15.810 1.00 0.00 N ATOM 0 H LYS A 69 16.095 3.299 -10.884 1.00 0.00 H new ATOM 0 HA LYS A 69 17.513 1.327 -12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.037 2.999 -13.329 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.077 4.293 -12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.386 3.782 -15.178 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.864 3.624 -14.250 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.644 1.813 -15.907 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.682 1.180 -14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.210 0.925 -14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.137 1.613 -15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.078 -0.749 -16.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.567 -0.220 -16.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.491 -0.908 -15.120 1.00 0.00 H new ATOM 1069 N TRP A 70 19.388 3.570 -10.822 1.00 0.00 N ATOM 1070 CA TRP A 70 20.751 3.760 -10.355 1.00 0.00 C ATOM 1071 C TRP A 70 21.250 2.486 -9.672 1.00 0.00 C ATOM 1072 O TRP A 70 22.368 2.061 -9.921 1.00 0.00 O ATOM 1073 CB TRP A 70 20.899 4.976 -9.429 1.00 0.00 C ATOM 1074 CG TRP A 70 22.331 5.292 -9.135 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.087 6.183 -9.812 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.246 4.584 -8.246 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.409 6.031 -9.448 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.573 5.020 -8.523 1.00 0.00 C ATOM 1079 CE3 TRP A 70 23.094 3.567 -7.280 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.694 4.431 -7.916 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 24.206 2.978 -6.656 1.00 0.00 C ATOM 1082 CH2 TRP A 70 25.506 3.389 -6.994 1.00 0.00 C ATOM 0 H TRP A 70 18.717 4.246 -10.458 1.00 0.00 H new ATOM 0 HA TRP A 70 21.369 3.966 -11.229 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.425 5.842 -9.891 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.372 4.785 -8.494 1.00 0.00 H new ATOM 0 HD1 TRP A 70 22.715 6.902 -10.527 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.173 6.597 -9.818 1.00 0.00 H new ATOM 0 HE3 TRP A 70 22.101 3.234 -7.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.689 4.776 -8.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 24.061 2.207 -5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.360 2.904 -6.545 1.00 0.00 H new ATOM 1093 N LEU A 71 20.431 1.873 -8.815 1.00 0.00 N ATOM 1094 CA LEU A 71 20.773 0.654 -8.094 1.00 0.00 C ATOM 1095 C LEU A 71 21.072 -0.463 -9.096 1.00 0.00 C ATOM 1096 O LEU A 71 22.080 -1.155 -8.982 1.00 0.00 O ATOM 1097 CB LEU A 71 19.625 0.272 -7.141 1.00 0.00 C ATOM 1098 CG LEU A 71 20.106 -0.233 -5.774 1.00 0.00 C ATOM 1099 CD1 LEU A 71 18.880 -0.594 -4.927 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.019 -1.459 -5.884 1.00 0.00 C ATOM 0 H LEU A 71 19.496 2.219 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 71 21.666 0.815 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.982 1.140 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.015 -0.500 -7.611 1.00 0.00 H new ATOM 0 HG LEU A 71 20.689 0.563 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.205 -0.955 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.255 0.289 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.307 -1.373 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.329 -1.773 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.479 -2.272 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 71 21.899 -1.205 -6.474 1.00 0.00 H new ATOM 1112 N ASN A 72 20.196 -0.623 -10.093 1.00 0.00 N ATOM 1113 CA ASN A 72 20.393 -1.580 -11.178 1.00 0.00 C ATOM 1114 C ASN A 72 21.729 -1.334 -11.889 1.00 0.00 C ATOM 1115 O ASN A 72 22.450 -2.288 -12.172 1.00 0.00 O ATOM 1116 CB ASN A 72 19.204 -1.498 -12.146 1.00 0.00 C ATOM 1117 CG ASN A 72 19.258 -2.409 -13.377 1.00 0.00 C ATOM 1118 OD1 ASN A 72 18.385 -2.308 -14.232 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.239 -3.300 -13.516 1.00 0.00 N ATOM 0 H ASN A 72 19.330 -0.090 -10.167 1.00 0.00 H new ATOM 0 HA ASN A 72 20.437 -2.590 -10.770 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.295 -1.730 -11.590 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.114 -0.467 -12.489 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.267 -3.904 -14.338 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.962 -3.378 -12.801 1.00 0.00 H new ATOM 1126 N ASP A 73 22.026 -0.076 -12.217 1.00 0.00 N ATOM 1127 CA ASP A 73 23.228 0.330 -12.940 1.00 0.00 C ATOM 1128 C ASP A 73 24.506 0.116 -12.110 1.00 0.00 C ATOM 1129 O ASP A 73 25.478 -0.457 -12.592 1.00 0.00 O ATOM 1130 CB ASP A 73 23.048 1.797 -13.355 1.00 0.00 C ATOM 1131 CG ASP A 73 24.360 2.469 -13.724 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.797 2.295 -14.882 1.00 0.00 O ATOM 1133 OD2 ASP A 73 24.902 3.148 -12.825 1.00 0.00 O ATOM 0 H ASP A 73 21.419 0.709 -11.980 1.00 0.00 H new ATOM 0 HA ASP A 73 23.355 -0.294 -13.825 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.367 1.849 -14.204 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.581 2.346 -12.538 1.00 0.00 H new ATOM 1138 N ALA A 74 24.502 0.627 -10.879 1.00 0.00 N ATOM 1139 CA ALA A 74 25.597 0.678 -9.919 1.00 0.00 C ATOM 1140 C ALA A 74 26.951 1.029 -10.539 1.00 0.00 C ATOM 1141 O ALA A 74 27.967 0.402 -10.239 1.00 0.00 O ATOM 1142 CB ALA A 74 25.645 -0.612 -9.097 1.00 0.00 C ATOM 0 H ALA A 74 23.657 1.052 -10.498 1.00 0.00 H new ATOM 0 HA ALA A 74 25.386 1.508 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.468 -0.559 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 74 24.706 -0.735 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.796 -1.462 -9.762 1.00 0.00 H new ATOM 1148 N GLU A 75 26.987 2.087 -11.352 1.00 0.00 N ATOM 1149 CA GLU A 75 28.236 2.663 -11.835 1.00 0.00 C ATOM 1150 C GLU A 75 29.129 2.992 -10.636 1.00 0.00 C ATOM 1151 O GLU A 75 28.783 3.852 -9.827 1.00 0.00 O ATOM 1152 CB GLU A 75 27.931 3.909 -12.678 1.00 0.00 C ATOM 1153 CG GLU A 75 29.186 4.581 -13.248 1.00 0.00 C ATOM 1154 CD GLU A 75 28.822 5.863 -13.990 1.00 0.00 C ATOM 1155 OE1 GLU A 75 28.549 6.859 -13.286 1.00 0.00 O ATOM 1156 OE2 GLU A 75 28.818 5.823 -15.238 1.00 0.00 O ATOM 0 H GLU A 75 26.152 2.565 -11.691 1.00 0.00 H new ATOM 0 HA GLU A 75 28.766 1.954 -12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 75 27.272 3.630 -13.500 1.00 0.00 H new ATOM 0 HB3 GLU A 75 27.389 4.629 -12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 75 29.882 4.808 -12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 75 29.696 3.896 -13.925 1.00 0.00 H new TER 1163 GLU A 75