USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 630 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 20 TYR OH : rot 180:sc= 1.02 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -112:sc= 0.166 (180deg=-1.92!) USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.251 (180deg=0.0145) USER MOD Single : A 1 SER OG : rot -45:sc= 1.16 USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= 1.08 (180deg=0.628) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.956 K(o=-0.96,f=-2.1) USER MOD Single : A 11 THR OG1 : rot 57:sc= 0.0347 USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.23) USER MOD Single : A 19 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.18) USER MOD Single : A 23 SER OG : rot 119:sc= 1.31 USER MOD Single : A 24 THR OG1 : rot 138:sc= 1.8 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.541 K(o=0.54,f=-3.6!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.975) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0517 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= -0.724! (180deg=-0.911) USER MOD Single : A 50 ASN : amide:sc=-0.00173 X(o=-0.0017,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 0.348 (180deg=0.163) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 1.31 (180deg=0.925) USER MOD Single : A 66 LYS NZ :NH3+ -130:sc= -0.643 (180deg=-2.65!) USER MOD Single : A 69 THR OG1 : rot -128:sc= 0.847 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.182 24.546 10.009 1.00 15.00 N ATOM 2 CA SER A 1 6.354 23.121 9.828 1.00 15.00 C ATOM 3 C SER A 1 6.841 22.896 8.391 1.00 15.00 C ATOM 4 O SER A 1 7.298 23.848 7.781 1.00 15.00 O ATOM 5 CB SER A 1 5.037 22.448 10.127 1.00 15.00 C ATOM 6 OG SER A 1 4.524 22.874 11.403 1.00 15.00 O ATOM 0 H1 SER A 1 6.801 24.876 10.777 1.00 15.00 H new ATOM 0 H2 SER A 1 6.430 25.040 9.128 1.00 15.00 H new ATOM 0 H3 SER A 1 5.191 24.748 10.252 1.00 15.00 H new ATOM 0 HA SER A 1 7.094 22.690 10.502 1.00 15.00 H new ATOM 0 HB2 SER A 1 4.317 22.683 9.343 1.00 15.00 H new ATOM 0 HB3 SER A 1 5.168 21.366 10.125 1.00 15.00 H new ATOM 0 HG SER A 1 5.245 22.862 12.066 1.00 15.00 H new ATOM 12 N LYS A 2 6.762 21.694 7.811 1.00 15.00 N ATOM 13 CA LYS A 2 7.300 21.488 6.478 1.00 15.00 C ATOM 14 C LYS A 2 6.245 20.727 5.767 1.00 15.00 C ATOM 15 O LYS A 2 5.411 20.150 6.434 1.00 15.00 O ATOM 16 CB LYS A 2 8.507 20.545 6.488 1.00 15.00 C ATOM 17 CG LYS A 2 9.713 20.928 7.300 1.00 15.00 C ATOM 18 CD LYS A 2 10.777 19.858 7.100 1.00 15.00 C ATOM 19 CE LYS A 2 11.978 20.067 7.978 1.00 15.00 C ATOM 20 NZ LYS A 2 12.966 18.973 7.825 1.00 15.00 N ATOM 0 H LYS A 2 6.339 20.870 8.239 1.00 15.00 H new ATOM 0 HA LYS A 2 7.586 22.447 6.046 1.00 15.00 H new ATOM 0 HB2 LYS A 2 8.165 19.573 6.842 1.00 15.00 H new ATOM 0 HB3 LYS A 2 8.832 20.412 5.456 1.00 15.00 H new ATOM 0 HG2 LYS A 2 10.089 21.902 6.987 1.00 15.00 H new ATOM 0 HG3 LYS A 2 9.451 21.012 8.355 1.00 15.00 H new ATOM 0 HD2 LYS A 2 10.346 18.879 7.307 1.00 15.00 H new ATOM 0 HD3 LYS A 2 11.091 19.853 6.056 1.00 15.00 H new ATOM 0 HE2 LYS A 2 12.448 21.019 7.731 1.00 15.00 H new ATOM 0 HE3 LYS A 2 11.661 20.128 9.019 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 13.529 18.889 8.696 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 12.468 18.078 7.647 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 13.596 19.183 7.025 1.00 15.00 H new ATOM 34 N TRP A 3 6.245 20.708 4.485 1.00 15.00 N ATOM 35 CA TRP A 3 5.386 19.765 3.794 1.00 15.00 C ATOM 36 C TRP A 3 6.330 19.056 2.819 1.00 15.00 C ATOM 37 O TRP A 3 6.677 19.578 1.778 1.00 15.00 O ATOM 38 CB TRP A 3 4.172 20.431 3.148 1.00 15.00 C ATOM 39 CG TRP A 3 3.039 19.529 2.760 1.00 15.00 C ATOM 40 CD1 TRP A 3 2.004 19.173 3.559 1.00 15.00 C ATOM 41 CD2 TRP A 3 2.785 18.909 1.488 1.00 15.00 C ATOM 42 NE1 TRP A 3 1.137 18.376 2.880 1.00 15.00 N ATOM 43 CE2 TRP A 3 1.582 18.198 1.613 1.00 15.00 C ATOM 44 CE3 TRP A 3 3.442 18.880 0.269 1.00 15.00 C ATOM 45 CZ2 TRP A 3 1.023 17.471 0.568 1.00 15.00 C ATOM 46 CZ3 TRP A 3 2.881 18.153 -0.774 1.00 15.00 C ATOM 47 CH2 TRP A 3 1.686 17.462 -0.613 1.00 15.00 C ATOM 0 H TRP A 3 6.809 21.312 3.887 1.00 15.00 H new ATOM 0 HA TRP A 3 4.910 19.049 4.464 1.00 15.00 H new ATOM 0 HB2 TRP A 3 3.788 21.183 3.838 1.00 15.00 H new ATOM 0 HB3 TRP A 3 4.508 20.959 2.256 1.00 15.00 H new ATOM 0 HD1 TRP A 3 1.885 19.479 4.588 1.00 15.00 H new ATOM 0 HE1 TRP A 3 0.283 17.974 3.265 1.00 15.00 H new ATOM 0 HE3 TRP A 3 4.372 19.412 0.132 1.00 15.00 H new ATOM 0 HZ2 TRP A 3 0.095 16.933 0.693 1.00 15.00 H new ATOM 0 HZ3 TRP A 3 3.384 18.124 -1.729 1.00 15.00 H new ATOM 0 HH2 TRP A 3 1.278 16.907 -1.445 1.00 15.00 H new ATOM 58 N ILE A 4 6.760 17.863 3.220 1.00 15.00 N ATOM 59 CA ILE A 4 7.777 17.074 2.510 1.00 15.00 C ATOM 60 C ILE A 4 7.191 15.731 2.186 1.00 15.00 C ATOM 61 O ILE A 4 6.095 15.439 2.625 1.00 15.00 O ATOM 62 CB ILE A 4 9.115 16.937 3.300 1.00 15.00 C ATOM 63 CG1 ILE A 4 8.908 16.171 4.612 1.00 15.00 C ATOM 64 CG2 ILE A 4 9.744 18.305 3.544 1.00 15.00 C ATOM 65 CD1 ILE A 4 10.172 15.953 5.422 1.00 15.00 C ATOM 0 H ILE A 4 6.409 17.405 4.061 1.00 15.00 H new ATOM 0 HA ILE A 4 8.043 17.602 1.594 1.00 15.00 H new ATOM 0 HB ILE A 4 9.809 16.357 2.691 1.00 15.00 H new ATOM 0 HG12 ILE A 4 8.189 16.714 5.225 1.00 15.00 H new ATOM 0 HG13 ILE A 4 8.466 15.201 4.385 1.00 15.00 H new ATOM 0 HG21 ILE A 4 10.676 18.184 4.096 1.00 15.00 H new ATOM 0 HG22 ILE A 4 9.949 18.787 2.588 1.00 15.00 H new ATOM 0 HG23 ILE A 4 9.057 18.923 4.122 1.00 15.00 H new ATOM 0 HD11 ILE A 4 9.931 15.404 6.332 1.00 15.00 H new ATOM 0 HD12 ILE A 4 10.888 15.381 4.832 1.00 15.00 H new ATOM 0 HD13 ILE A 4 10.607 16.917 5.685 1.00 15.00 H new ATOM 77 N LYS A 5 7.872 14.923 1.398 1.00 15.00 N ATOM 78 CA LYS A 5 7.284 13.710 0.901 1.00 15.00 C ATOM 79 C LYS A 5 7.925 12.522 1.643 1.00 15.00 C ATOM 80 O LYS A 5 8.417 12.703 2.756 1.00 15.00 O ATOM 81 CB LYS A 5 7.539 13.659 -0.621 1.00 15.00 C ATOM 82 CG LYS A 5 6.627 12.715 -1.404 1.00 15.00 C ATOM 83 CD LYS A 5 6.918 12.820 -2.879 1.00 15.00 C ATOM 84 CE LYS A 5 5.934 12.018 -3.716 1.00 15.00 C ATOM 85 NZ LYS A 5 6.084 12.307 -5.159 1.00 15.00 N ATOM 0 H LYS A 5 8.831 15.090 1.092 1.00 15.00 H new ATOM 0 HA LYS A 5 6.208 13.667 1.073 1.00 15.00 H new ATOM 0 HB2 LYS A 5 7.427 14.665 -1.026 1.00 15.00 H new ATOM 0 HB3 LYS A 5 8.574 13.361 -0.790 1.00 15.00 H new ATOM 0 HG2 LYS A 5 6.777 11.689 -1.068 1.00 15.00 H new ATOM 0 HG3 LYS A 5 5.583 12.963 -1.213 1.00 15.00 H new ATOM 0 HD2 LYS A 5 6.881 13.867 -3.181 1.00 15.00 H new ATOM 0 HD3 LYS A 5 7.931 12.467 -3.074 1.00 15.00 H new ATOM 0 HE2 LYS A 5 6.089 10.954 -3.540 1.00 15.00 H new ATOM 0 HE3 LYS A 5 4.916 12.249 -3.402 1.00 15.00 H new ATOM 0 HZ1 LYS A 5 5.397 11.743 -5.699 1.00 15.00 H new ATOM 0 HZ2 LYS A 5 5.912 13.318 -5.330 1.00 15.00 H new ATOM 0 HZ3 LYS A 5 7.048 12.063 -5.463 1.00 15.00 H new ATOM 99 N PHE A 6 8.018 11.358 1.000 1.00 15.00 N ATOM 100 CA PHE A 6 8.342 10.170 1.726 1.00 15.00 C ATOM 101 C PHE A 6 8.486 8.946 0.788 1.00 15.00 C ATOM 102 O PHE A 6 8.754 9.073 -0.407 1.00 15.00 O ATOM 103 CB PHE A 6 7.083 9.932 2.629 1.00 15.00 C ATOM 104 CG PHE A 6 7.319 9.079 3.858 1.00 15.00 C ATOM 105 CD1 PHE A 6 8.306 9.416 4.765 1.00 15.00 C ATOM 106 CD2 PHE A 6 6.571 7.937 4.083 1.00 15.00 C ATOM 107 CE1 PHE A 6 8.537 8.636 5.869 1.00 15.00 C ATOM 108 CE2 PHE A 6 6.799 7.154 5.181 1.00 15.00 C ATOM 109 CZ PHE A 6 7.781 7.502 6.075 1.00 15.00 C ATOM 0 H PHE A 6 7.874 11.231 -0.002 1.00 15.00 H new ATOM 0 HA PHE A 6 9.283 10.281 2.266 1.00 15.00 H new ATOM 0 HB2 PHE A 6 6.697 10.900 2.948 1.00 15.00 H new ATOM 0 HB3 PHE A 6 6.307 9.462 2.025 1.00 15.00 H new ATOM 0 HD1 PHE A 6 8.901 10.302 4.603 1.00 15.00 H new ATOM 0 HD2 PHE A 6 5.797 7.660 3.382 1.00 15.00 H new ATOM 0 HE1 PHE A 6 9.308 8.909 6.574 1.00 15.00 H new ATOM 0 HE2 PHE A 6 6.208 6.265 5.344 1.00 15.00 H new ATOM 0 HZ PHE A 6 7.962 6.885 6.943 1.00 15.00 H new ATOM 119 N THR A 7 8.249 7.809 1.381 1.00 15.00 N ATOM 120 CA THR A 7 8.039 6.508 0.805 1.00 15.00 C ATOM 121 C THR A 7 6.524 6.487 0.367 1.00 15.00 C ATOM 122 O THR A 7 5.670 6.989 1.113 1.00 15.00 O ATOM 123 CB THR A 7 8.115 5.539 1.998 1.00 15.00 C ATOM 124 OG1 THR A 7 9.368 5.644 2.671 1.00 15.00 O ATOM 125 CG2 THR A 7 7.792 4.103 1.625 1.00 15.00 C ATOM 0 H THR A 7 8.192 7.767 2.399 1.00 15.00 H new ATOM 0 HA THR A 7 8.729 6.272 -0.005 1.00 15.00 H new ATOM 0 HB THR A 7 7.334 5.846 2.694 1.00 15.00 H new ATOM 0 HG1 THR A 7 9.388 5.019 3.425 1.00 15.00 H new ATOM 0 HG21 THR A 7 7.864 3.472 2.511 1.00 15.00 H new ATOM 0 HG22 THR A 7 6.780 4.050 1.223 1.00 15.00 H new ATOM 0 HG23 THR A 7 8.500 3.754 0.873 1.00 15.00 H new ATOM 133 N THR A 8 6.178 5.933 -0.798 1.00 15.00 N ATOM 134 CA THR A 8 4.768 5.820 -1.221 1.00 15.00 C ATOM 135 C THR A 8 4.610 4.364 -1.727 1.00 15.00 C ATOM 136 O THR A 8 4.060 4.093 -2.782 1.00 15.00 O ATOM 137 CB THR A 8 4.515 6.834 -2.384 1.00 15.00 C ATOM 138 OG1 THR A 8 5.468 6.624 -3.435 1.00 15.00 O ATOM 139 CG2 THR A 8 4.625 8.279 -1.898 1.00 15.00 C ATOM 0 H THR A 8 6.848 5.555 -1.468 1.00 15.00 H new ATOM 0 HA THR A 8 4.062 6.039 -0.420 1.00 15.00 H new ATOM 0 HB THR A 8 3.504 6.665 -2.754 1.00 15.00 H new ATOM 0 HG1 THR A 8 5.301 7.262 -4.160 1.00 15.00 H new ATOM 0 HG21 THR A 8 4.444 8.958 -2.731 1.00 15.00 H new ATOM 0 HG22 THR A 8 3.886 8.457 -1.117 1.00 15.00 H new ATOM 0 HG23 THR A 8 5.624 8.454 -1.499 1.00 15.00 H new ATOM 147 N ASN A 9 5.003 3.452 -0.879 1.00 15.00 N ATOM 148 CA ASN A 9 5.336 2.097 -1.279 1.00 15.00 C ATOM 149 C ASN A 9 5.095 1.112 -0.191 1.00 15.00 C ATOM 150 O ASN A 9 4.284 0.223 -0.299 1.00 15.00 O ATOM 151 CB ASN A 9 6.874 2.097 -1.504 1.00 15.00 C ATOM 152 CG ASN A 9 7.414 0.780 -2.066 1.00 15.00 C ATOM 153 OD1 ASN A 9 8.537 0.388 -1.763 1.00 15.00 O ATOM 154 ND2 ASN A 9 6.662 0.118 -2.919 1.00 15.00 N ATOM 0 H ASN A 9 5.104 3.623 0.121 1.00 15.00 H new ATOM 0 HA ASN A 9 4.735 1.824 -2.146 1.00 15.00 H new ATOM 0 HB2 ASN A 9 7.132 2.906 -2.187 1.00 15.00 H new ATOM 0 HB3 ASN A 9 7.371 2.308 -0.557 1.00 15.00 H new ATOM 0 HD21 ASN A 9 7.009 -0.742 -3.345 1.00 15.00 H new ATOM 0 HD22 ASN A 9 5.732 0.464 -3.155 1.00 15.00 H new ATOM 161 N LEU A 10 5.773 1.333 0.866 1.00 15.00 N ATOM 162 CA LEU A 10 5.774 0.489 2.013 1.00 15.00 C ATOM 163 C LEU A 10 4.719 0.870 2.967 1.00 15.00 C ATOM 164 O LEU A 10 4.271 2.024 3.023 1.00 15.00 O ATOM 165 CB LEU A 10 7.106 0.580 2.779 1.00 15.00 C ATOM 166 CG LEU A 10 8.381 0.197 2.051 1.00 15.00 C ATOM 167 CD1 LEU A 10 9.551 0.273 3.017 1.00 15.00 C ATOM 168 CD2 LEU A 10 8.270 -1.201 1.469 1.00 15.00 C ATOM 0 H LEU A 10 6.377 2.148 0.969 1.00 15.00 H new ATOM 0 HA LEU A 10 5.610 -0.520 1.636 1.00 15.00 H new ATOM 0 HB2 LEU A 10 7.219 1.606 3.130 1.00 15.00 H new ATOM 0 HB3 LEU A 10 7.025 -0.052 3.663 1.00 15.00 H new ATOM 0 HG LEU A 10 8.542 0.892 1.227 1.00 15.00 H new ATOM 0 HD11 LEU A 10 10.470 -0.001 2.498 1.00 15.00 H new ATOM 0 HD12 LEU A 10 9.641 1.289 3.401 1.00 15.00 H new ATOM 0 HD13 LEU A 10 9.383 -0.414 3.846 1.00 15.00 H new ATOM 0 HD21 LEU A 10 9.195 -1.454 0.952 1.00 15.00 H new ATOM 0 HD22 LEU A 10 8.096 -1.917 2.272 1.00 15.00 H new ATOM 0 HD23 LEU A 10 7.439 -1.237 0.765 1.00 15.00 H new ATOM 180 N THR A 11 4.353 -0.121 3.715 1.00 15.00 N ATOM 181 CA THR A 11 3.540 0.011 4.828 1.00 15.00 C ATOM 182 C THR A 11 4.363 -0.771 5.822 1.00 15.00 C ATOM 183 O THR A 11 4.187 -1.965 6.054 1.00 15.00 O ATOM 184 CB THR A 11 2.049 -0.482 4.622 1.00 15.00 C ATOM 185 OG1 THR A 11 1.265 -0.198 5.785 1.00 15.00 O ATOM 186 CG2 THR A 11 1.924 -1.966 4.245 1.00 15.00 C ATOM 0 H THR A 11 4.641 -1.083 3.537 1.00 15.00 H new ATOM 0 HA THR A 11 3.328 1.036 5.133 1.00 15.00 H new ATOM 0 HB THR A 11 1.667 0.077 3.768 1.00 15.00 H new ATOM 0 HG1 THR A 11 1.298 0.763 5.975 1.00 15.00 H new ATOM 0 HG21 THR A 11 0.872 -2.223 4.122 1.00 15.00 H new ATOM 0 HG22 THR A 11 2.454 -2.150 3.310 1.00 15.00 H new ATOM 0 HG23 THR A 11 2.358 -2.580 5.035 1.00 15.00 H new ATOM 194 N PRO A 12 5.422 -0.135 6.285 1.00 15.00 N ATOM 195 CA PRO A 12 6.475 -0.831 6.914 1.00 15.00 C ATOM 196 C PRO A 12 6.183 -1.141 8.355 1.00 15.00 C ATOM 197 O PRO A 12 5.033 -1.022 8.835 1.00 15.00 O ATOM 198 CB PRO A 12 7.655 0.135 6.781 1.00 15.00 C ATOM 199 CG PRO A 12 7.036 1.486 6.842 1.00 15.00 C ATOM 200 CD PRO A 12 5.634 1.329 6.313 1.00 15.00 C ATOM 0 HA PRO A 12 6.656 -1.806 6.462 1.00 15.00 H new ATOM 0 HB2 PRO A 12 8.378 -0.008 7.584 1.00 15.00 H new ATOM 0 HB3 PRO A 12 8.188 -0.016 5.842 1.00 15.00 H new ATOM 0 HG2 PRO A 12 7.026 1.864 7.864 1.00 15.00 H new ATOM 0 HG3 PRO A 12 7.601 2.201 6.243 1.00 15.00 H new ATOM 0 HD2 PRO A 12 4.907 1.825 6.956 1.00 15.00 H new ATOM 0 HD3 PRO A 12 5.531 1.766 5.320 1.00 15.00 H new ATOM 208 N GLU A 13 7.185 -1.530 9.049 1.00 15.00 N ATOM 209 CA GLU A 13 7.067 -1.729 10.416 1.00 15.00 C ATOM 210 C GLU A 13 8.019 -0.699 10.947 1.00 15.00 C ATOM 211 O GLU A 13 9.082 -0.483 10.316 1.00 15.00 O ATOM 212 CB GLU A 13 7.397 -3.163 10.784 1.00 15.00 C ATOM 213 CG GLU A 13 7.204 -3.508 12.238 1.00 15.00 C ATOM 214 CD GLU A 13 7.409 -4.964 12.482 1.00 15.00 C ATOM 215 OE1 GLU A 13 8.567 -5.442 12.468 1.00 15.00 O ATOM 216 OE2 GLU A 13 6.399 -5.675 12.646 1.00 15.00 O ATOM 0 H GLU A 13 8.112 -1.717 8.668 1.00 15.00 H new ATOM 0 HA GLU A 13 6.067 -1.606 10.831 1.00 15.00 H new ATOM 0 HB2 GLU A 13 6.777 -3.828 10.183 1.00 15.00 H new ATOM 0 HB3 GLU A 13 8.434 -3.362 10.513 1.00 15.00 H new ATOM 0 HG2 GLU A 13 7.903 -2.933 12.846 1.00 15.00 H new ATOM 0 HG3 GLU A 13 6.200 -3.223 12.551 1.00 15.00 H new ATOM 223 N GLU A 14 7.692 -0.037 12.024 1.00 15.00 N ATOM 224 CA GLU A 14 8.408 1.135 12.519 1.00 15.00 C ATOM 225 C GLU A 14 9.755 0.802 13.124 1.00 15.00 C ATOM 226 O GLU A 14 10.235 1.477 14.023 1.00 15.00 O ATOM 227 CB GLU A 14 7.523 1.894 13.513 1.00 15.00 C ATOM 228 CG GLU A 14 6.209 2.363 12.903 1.00 15.00 C ATOM 229 CD GLU A 14 5.367 3.176 13.852 1.00 15.00 C ATOM 230 OE1 GLU A 14 4.709 2.592 14.742 1.00 15.00 O ATOM 231 OE2 GLU A 14 5.322 4.404 13.721 1.00 15.00 O ATOM 0 H GLU A 14 6.897 -0.297 12.608 1.00 15.00 H new ATOM 0 HA GLU A 14 8.623 1.772 11.662 1.00 15.00 H new ATOM 0 HB2 GLU A 14 7.311 1.251 14.367 1.00 15.00 H new ATOM 0 HB3 GLU A 14 8.070 2.757 13.892 1.00 15.00 H new ATOM 0 HG2 GLU A 14 6.421 2.959 12.015 1.00 15.00 H new ATOM 0 HG3 GLU A 14 5.638 1.494 12.575 1.00 15.00 H new ATOM 238 N ALA A 15 10.374 -0.188 12.584 1.00 15.00 N ATOM 239 CA ALA A 15 11.676 -0.614 13.007 1.00 15.00 C ATOM 240 C ALA A 15 12.680 -0.258 11.886 1.00 15.00 C ATOM 241 O ALA A 15 13.810 0.131 12.145 1.00 15.00 O ATOM 242 CB ALA A 15 11.687 -2.107 13.270 1.00 15.00 C ATOM 0 H ALA A 15 9.987 -0.741 11.819 1.00 15.00 H new ATOM 0 HA ALA A 15 11.952 -0.113 13.935 1.00 15.00 H new ATOM 0 HB1 ALA A 15 12.683 -2.413 13.590 1.00 15.00 H new ATOM 0 HB2 ALA A 15 10.966 -2.344 14.052 1.00 15.00 H new ATOM 0 HB3 ALA A 15 11.420 -2.639 12.357 1.00 15.00 H new ATOM 248 N LYS A 16 12.232 -0.406 10.611 1.00 15.00 N ATOM 249 CA LYS A 16 13.068 -0.069 9.447 1.00 15.00 C ATOM 250 C LYS A 16 13.360 1.434 9.501 1.00 15.00 C ATOM 251 O LYS A 16 14.504 1.839 9.648 1.00 15.00 O ATOM 252 CB LYS A 16 12.297 -0.479 8.133 1.00 15.00 C ATOM 253 CG LYS A 16 13.015 -0.350 6.740 1.00 15.00 C ATOM 254 CD LYS A 16 13.274 1.097 6.287 1.00 15.00 C ATOM 255 CE LYS A 16 13.685 1.196 4.793 1.00 15.00 C ATOM 256 NZ LYS A 16 14.929 0.458 4.455 1.00 15.00 N ATOM 0 H LYS A 16 11.303 -0.754 10.373 1.00 15.00 H new ATOM 0 HA LYS A 16 14.016 -0.608 9.455 1.00 15.00 H new ATOM 0 HB2 LYS A 16 11.989 -1.518 8.246 1.00 15.00 H new ATOM 0 HB3 LYS A 16 11.387 0.120 8.088 1.00 15.00 H new ATOM 0 HG2 LYS A 16 13.967 -0.879 6.786 1.00 15.00 H new ATOM 0 HG3 LYS A 16 12.408 -0.851 5.985 1.00 15.00 H new ATOM 0 HD2 LYS A 16 12.375 1.691 6.452 1.00 15.00 H new ATOM 0 HD3 LYS A 16 14.060 1.531 6.905 1.00 15.00 H new ATOM 0 HE2 LYS A 16 12.870 0.814 4.177 1.00 15.00 H new ATOM 0 HE3 LYS A 16 13.816 2.246 4.532 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 15.173 0.628 3.458 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 15.705 0.789 5.063 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 14.781 -0.560 4.607 1.00 15.00 H new ATOM 270 N ILE A 17 12.312 2.249 9.388 1.00 15.00 N ATOM 271 CA ILE A 17 12.363 3.714 9.546 1.00 15.00 C ATOM 272 C ILE A 17 12.922 4.260 10.879 1.00 15.00 C ATOM 273 O ILE A 17 13.392 5.364 10.886 1.00 15.00 O ATOM 274 CB ILE A 17 10.923 4.289 9.331 1.00 15.00 C ATOM 275 CG1 ILE A 17 10.934 5.828 9.260 1.00 15.00 C ATOM 276 CG2 ILE A 17 9.959 3.787 10.409 1.00 15.00 C ATOM 277 CD1 ILE A 17 9.585 6.441 9.010 1.00 15.00 C ATOM 0 H ILE A 17 11.375 1.905 9.178 1.00 15.00 H new ATOM 0 HA ILE A 17 13.082 4.045 8.796 1.00 15.00 H new ATOM 0 HB ILE A 17 10.564 3.922 8.370 1.00 15.00 H new ATOM 0 HG12 ILE A 17 11.332 6.221 10.195 1.00 15.00 H new ATOM 0 HG13 ILE A 17 11.615 6.139 8.468 1.00 15.00 H new ATOM 0 HG21 ILE A 17 8.967 4.203 10.233 1.00 15.00 H new ATOM 0 HG22 ILE A 17 9.907 2.699 10.373 1.00 15.00 H new ATOM 0 HG23 ILE A 17 10.315 4.101 11.390 1.00 15.00 H new ATOM 0 HD11 ILE A 17 9.680 7.526 8.974 1.00 15.00 H new ATOM 0 HD12 ILE A 17 9.191 6.079 8.060 1.00 15.00 H new ATOM 0 HD13 ILE A 17 8.904 6.162 9.814 1.00 15.00 H new ATOM 289 N VAL A 18 12.937 3.472 11.962 1.00 15.00 N ATOM 290 CA VAL A 18 13.244 4.021 13.323 1.00 15.00 C ATOM 291 C VAL A 18 14.592 4.807 13.412 1.00 15.00 C ATOM 292 O VAL A 18 14.787 5.580 14.326 1.00 15.00 O ATOM 293 CB VAL A 18 13.146 2.938 14.458 1.00 15.00 C ATOM 294 CG1 VAL A 18 14.333 2.001 14.485 1.00 15.00 C ATOM 295 CG2 VAL A 18 12.913 3.565 15.821 1.00 15.00 C ATOM 0 H VAL A 18 12.747 2.470 11.943 1.00 15.00 H new ATOM 0 HA VAL A 18 12.455 4.753 13.494 1.00 15.00 H new ATOM 0 HB VAL A 18 12.274 2.331 14.215 1.00 15.00 H new ATOM 0 HG11 VAL A 18 14.207 1.277 15.290 1.00 15.00 H new ATOM 0 HG12 VAL A 18 14.404 1.476 13.532 1.00 15.00 H new ATOM 0 HG13 VAL A 18 15.245 2.574 14.652 1.00 15.00 H new ATOM 0 HG21 VAL A 18 12.852 2.781 16.576 1.00 15.00 H new ATOM 0 HG22 VAL A 18 13.739 4.235 16.059 1.00 15.00 H new ATOM 0 HG23 VAL A 18 11.981 4.130 15.807 1.00 15.00 H new ATOM 305 N GLN A 19 15.524 4.543 12.493 1.00 15.00 N ATOM 306 CA GLN A 19 16.798 5.288 12.437 1.00 15.00 C ATOM 307 C GLN A 19 16.637 6.735 11.854 1.00 15.00 C ATOM 308 O GLN A 19 17.511 7.574 12.066 1.00 15.00 O ATOM 309 CB GLN A 19 17.990 4.517 11.837 1.00 15.00 C ATOM 310 CG GLN A 19 18.461 3.284 12.626 1.00 15.00 C ATOM 311 CD GLN A 19 17.460 2.126 12.673 1.00 15.00 C ATOM 312 OE1 GLN A 19 17.421 1.375 13.645 1.00 15.00 O ATOM 313 NE2 GLN A 19 16.671 1.951 11.633 1.00 15.00 N ATOM 0 H GLN A 19 15.427 3.823 11.777 1.00 15.00 H new ATOM 0 HA GLN A 19 17.076 5.407 13.484 1.00 15.00 H new ATOM 0 HB2 GLN A 19 17.721 4.198 10.830 1.00 15.00 H new ATOM 0 HB3 GLN A 19 18.830 5.205 11.740 1.00 15.00 H new ATOM 0 HG2 GLN A 19 19.391 2.923 12.186 1.00 15.00 H new ATOM 0 HG3 GLN A 19 18.689 3.590 13.647 1.00 15.00 H new ATOM 0 HE21 GLN A 19 16.724 2.589 10.839 1.00 15.00 H new ATOM 0 HE22 GLN A 19 16.007 1.177 11.621 1.00 15.00 H new ATOM 322 N TYR A 20 15.596 6.988 11.070 1.00 15.00 N ATOM 323 CA TYR A 20 15.262 8.355 10.635 1.00 15.00 C ATOM 324 C TYR A 20 14.933 9.192 11.889 1.00 15.00 C ATOM 325 O TYR A 20 15.597 10.221 12.164 1.00 15.00 O ATOM 326 CB TYR A 20 14.041 8.271 9.675 1.00 15.00 C ATOM 327 CG TYR A 20 13.629 9.580 9.027 1.00 15.00 C ATOM 328 CD1 TYR A 20 14.376 10.127 7.996 1.00 15.00 C ATOM 329 CD2 TYR A 20 12.501 10.268 9.450 1.00 15.00 C ATOM 330 CE1 TYR A 20 14.012 11.320 7.407 1.00 15.00 C ATOM 331 CE2 TYR A 20 12.131 11.461 8.866 1.00 15.00 C ATOM 332 CZ TYR A 20 12.889 11.982 7.849 1.00 15.00 C ATOM 333 OH TYR A 20 12.531 13.184 7.271 1.00 15.00 O ATOM 0 H TYR A 20 14.963 6.270 10.718 1.00 15.00 H new ATOM 0 HA TYR A 20 16.091 8.827 10.108 1.00 15.00 H new ATOM 0 HB2 TYR A 20 14.268 7.552 8.888 1.00 15.00 H new ATOM 0 HB3 TYR A 20 13.190 7.877 10.231 1.00 15.00 H new ATOM 0 HD1 TYR A 20 15.258 9.610 7.648 1.00 15.00 H new ATOM 0 HD2 TYR A 20 11.902 9.862 10.251 1.00 15.00 H new ATOM 0 HE1 TYR A 20 14.605 11.732 6.604 1.00 15.00 H new ATOM 0 HE2 TYR A 20 11.249 11.982 9.208 1.00 15.00 H new ATOM 0 HH TYR A 20 11.715 13.521 7.696 1.00 15.00 H new ATOM 343 N GLU A 21 13.907 8.775 12.626 1.00 15.00 N ATOM 344 CA GLU A 21 13.714 9.229 14.011 1.00 15.00 C ATOM 345 C GLU A 21 14.920 8.770 14.858 1.00 15.00 C ATOM 346 O GLU A 21 15.815 8.121 14.350 1.00 15.00 O ATOM 347 CB GLU A 21 12.416 8.669 14.631 1.00 15.00 C ATOM 348 CG GLU A 21 11.128 9.044 13.907 1.00 15.00 C ATOM 349 CD GLU A 21 10.842 8.177 12.702 1.00 15.00 C ATOM 350 OE1 GLU A 21 11.378 8.441 11.634 1.00 15.00 O ATOM 351 OE2 GLU A 21 10.047 7.218 12.843 1.00 15.00 O ATOM 0 H GLU A 21 13.195 8.125 12.293 1.00 15.00 H new ATOM 0 HA GLU A 21 13.634 10.316 14.002 1.00 15.00 H new ATOM 0 HB2 GLU A 21 12.490 7.582 14.665 1.00 15.00 H new ATOM 0 HB3 GLU A 21 12.347 9.016 15.662 1.00 15.00 H new ATOM 0 HG2 GLU A 21 10.293 8.971 14.604 1.00 15.00 H new ATOM 0 HG3 GLU A 21 11.188 10.085 13.590 1.00 15.00 H new ATOM 358 N LEU A 22 15.010 9.149 16.130 1.00 15.00 N ATOM 359 CA LEU A 22 16.100 8.706 17.018 1.00 15.00 C ATOM 360 C LEU A 22 17.421 9.393 16.745 1.00 15.00 C ATOM 361 O LEU A 22 18.102 9.792 17.692 1.00 15.00 O ATOM 362 CB LEU A 22 16.197 7.185 17.275 1.00 15.00 C ATOM 363 CG LEU A 22 15.137 6.561 18.217 1.00 15.00 C ATOM 364 CD1 LEU A 22 13.723 6.696 17.674 1.00 15.00 C ATOM 365 CD2 LEU A 22 15.464 5.102 18.486 1.00 15.00 C ATOM 0 H LEU A 22 14.337 9.769 16.580 1.00 15.00 H new ATOM 0 HA LEU A 22 15.789 9.071 17.997 1.00 15.00 H new ATOM 0 HB2 LEU A 22 16.138 6.675 16.314 1.00 15.00 H new ATOM 0 HB3 LEU A 22 17.183 6.974 17.688 1.00 15.00 H new ATOM 0 HG LEU A 22 15.173 7.118 19.153 1.00 15.00 H new ATOM 0 HD11 LEU A 22 13.020 6.242 18.373 1.00 15.00 H new ATOM 0 HD12 LEU A 22 13.480 7.751 17.549 1.00 15.00 H new ATOM 0 HD13 LEU A 22 13.654 6.191 16.710 1.00 15.00 H new ATOM 0 HD21 LEU A 22 14.711 4.677 19.149 1.00 15.00 H new ATOM 0 HD22 LEU A 22 15.472 4.551 17.545 1.00 15.00 H new ATOM 0 HD23 LEU A 22 16.444 5.030 18.957 1.00 15.00 H new ATOM 377 N SER A 23 17.774 9.560 15.513 1.00 15.00 N ATOM 378 CA SER A 23 18.961 10.305 15.169 1.00 15.00 C ATOM 379 C SER A 23 18.788 11.792 15.497 1.00 15.00 C ATOM 380 O SER A 23 19.724 12.461 15.933 1.00 15.00 O ATOM 381 CB SER A 23 19.282 10.090 13.692 1.00 15.00 C ATOM 382 OG SER A 23 19.415 8.693 13.423 1.00 15.00 O ATOM 0 H SER A 23 17.258 9.190 14.714 1.00 15.00 H new ATOM 0 HA SER A 23 19.799 9.943 15.764 1.00 15.00 H new ATOM 0 HB2 SER A 23 18.492 10.515 13.073 1.00 15.00 H new ATOM 0 HB3 SER A 23 20.204 10.609 13.432 1.00 15.00 H new ATOM 0 HG SER A 23 18.740 8.420 12.767 1.00 15.00 H new ATOM 388 N THR A 24 17.585 12.287 15.287 1.00 15.00 N ATOM 389 CA THR A 24 17.251 13.657 15.573 1.00 15.00 C ATOM 390 C THR A 24 16.552 13.765 16.940 1.00 15.00 C ATOM 391 O THR A 24 17.177 14.114 17.931 1.00 15.00 O ATOM 392 CB THR A 24 16.345 14.184 14.456 1.00 15.00 C ATOM 393 OG1 THR A 24 15.407 13.135 14.115 1.00 15.00 O ATOM 394 CG2 THR A 24 17.150 14.566 13.224 1.00 15.00 C ATOM 0 H THR A 24 16.810 11.741 14.910 1.00 15.00 H new ATOM 0 HA THR A 24 18.159 14.258 15.617 1.00 15.00 H new ATOM 0 HB THR A 24 15.827 15.078 14.802 1.00 15.00 H new ATOM 0 HG1 THR A 24 14.515 13.522 13.990 1.00 15.00 H new ATOM 0 HG21 THR A 24 16.477 14.936 12.450 1.00 15.00 H new ATOM 0 HG22 THR A 24 17.867 15.345 13.485 1.00 15.00 H new ATOM 0 HG23 THR A 24 17.684 13.691 12.853 1.00 15.00 H new ATOM 402 N ARG A 25 15.253 13.422 16.962 1.00 15.00 N ATOM 403 CA ARG A 25 14.395 13.362 18.167 1.00 15.00 C ATOM 404 C ARG A 25 13.768 14.718 18.498 1.00 15.00 C ATOM 405 O ARG A 25 12.606 14.969 18.149 1.00 15.00 O ATOM 406 CB ARG A 25 15.070 12.753 19.421 1.00 15.00 C ATOM 407 CG ARG A 25 15.477 11.304 19.295 1.00 15.00 C ATOM 408 CD ARG A 25 16.099 10.792 20.586 1.00 15.00 C ATOM 409 NE ARG A 25 15.132 10.771 21.696 1.00 15.00 N ATOM 410 CZ ARG A 25 15.437 10.486 22.978 1.00 15.00 C ATOM 411 NH1 ARG A 25 16.699 10.260 23.334 1.00 15.00 N ATOM 412 NH2 ARG A 25 14.479 10.456 23.903 1.00 15.00 N ATOM 0 H ARG A 25 14.749 13.169 16.112 1.00 15.00 H new ATOM 0 HA ARG A 25 13.604 12.665 17.890 1.00 15.00 H new ATOM 0 HB2 ARG A 25 15.955 13.343 19.659 1.00 15.00 H new ATOM 0 HB3 ARG A 25 14.386 12.849 20.264 1.00 15.00 H new ATOM 0 HG2 ARG A 25 14.606 10.699 19.044 1.00 15.00 H new ATOM 0 HG3 ARG A 25 16.189 11.193 18.477 1.00 15.00 H new ATOM 0 HD2 ARG A 25 16.489 9.787 20.426 1.00 15.00 H new ATOM 0 HD3 ARG A 25 16.946 11.423 20.855 1.00 15.00 H new ATOM 0 HE ARG A 25 14.159 10.988 21.479 1.00 15.00 H new ATOM 0 HH11 ARG A 25 17.441 10.302 22.636 1.00 15.00 H new ATOM 0 HH12 ARG A 25 16.924 10.045 24.305 1.00 15.00 H new ATOM 0 HH21 ARG A 25 13.512 10.649 23.642 1.00 15.00 H new ATOM 0 HH22 ARG A 25 14.712 10.240 24.872 1.00 15.00 H new ATOM 426 N ASP A 26 14.528 15.571 19.151 1.00 15.00 N ATOM 427 CA ASP A 26 14.039 16.872 19.599 1.00 15.00 C ATOM 428 C ASP A 26 13.657 17.876 18.538 1.00 15.00 C ATOM 429 O ASP A 26 14.437 18.243 17.664 1.00 15.00 O ATOM 430 CB ASP A 26 14.915 17.515 20.682 1.00 15.00 C ATOM 431 CG ASP A 26 14.662 16.904 22.038 1.00 15.00 C ATOM 432 OD1 ASP A 26 13.631 17.239 22.658 1.00 15.00 O ATOM 433 OD2 ASP A 26 15.467 16.061 22.506 1.00 15.00 O ATOM 0 H ASP A 26 15.503 15.389 19.390 1.00 15.00 H new ATOM 0 HA ASP A 26 13.084 16.590 20.043 1.00 15.00 H new ATOM 0 HB2 ASP A 26 15.966 17.395 20.419 1.00 15.00 H new ATOM 0 HB3 ASP A 26 14.717 18.586 20.722 1.00 15.00 H new ATOM 438 N GLU A 27 12.374 18.220 18.603 1.00 15.00 N ATOM 439 CA GLU A 27 11.699 19.291 17.831 1.00 15.00 C ATOM 440 C GLU A 27 11.361 18.854 16.397 1.00 15.00 C ATOM 441 O GLU A 27 10.625 19.517 15.681 1.00 15.00 O ATOM 442 CB GLU A 27 12.383 20.653 17.941 1.00 15.00 C ATOM 443 CG GLU A 27 12.554 21.111 19.389 1.00 15.00 C ATOM 444 CD GLU A 27 11.279 20.996 20.179 1.00 15.00 C ATOM 445 OE1 GLU A 27 10.252 21.563 19.763 1.00 15.00 O ATOM 446 OE2 GLU A 27 11.269 20.292 21.207 1.00 15.00 O ATOM 0 H GLU A 27 11.729 17.738 19.229 1.00 15.00 H new ATOM 0 HA GLU A 27 10.734 19.454 18.312 1.00 15.00 H new ATOM 0 HB2 GLU A 27 13.361 20.604 17.462 1.00 15.00 H new ATOM 0 HB3 GLU A 27 11.798 21.394 17.396 1.00 15.00 H new ATOM 0 HG2 GLU A 27 13.330 20.514 19.867 1.00 15.00 H new ATOM 0 HG3 GLU A 27 12.895 22.146 19.402 1.00 15.00 H new ATOM 453 N PHE A 28 11.885 17.729 16.051 1.00 15.00 N ATOM 454 CA PHE A 28 11.532 16.899 14.916 1.00 15.00 C ATOM 455 C PHE A 28 10.366 15.944 15.351 1.00 15.00 C ATOM 456 O PHE A 28 9.810 15.204 14.553 1.00 15.00 O ATOM 457 CB PHE A 28 12.801 16.033 14.694 1.00 15.00 C ATOM 458 CG PHE A 28 12.764 15.057 13.560 1.00 15.00 C ATOM 459 CD1 PHE A 28 13.148 15.434 12.293 1.00 15.00 C ATOM 460 CD2 PHE A 28 12.368 13.744 13.774 1.00 15.00 C ATOM 461 CE1 PHE A 28 13.137 14.529 11.264 1.00 15.00 C ATOM 462 CE2 PHE A 28 12.353 12.841 12.745 1.00 15.00 C ATOM 463 CZ PHE A 28 12.740 13.236 11.492 1.00 15.00 C ATOM 0 H PHE A 28 12.642 17.316 16.596 1.00 15.00 H new ATOM 0 HA PHE A 28 11.228 17.468 14.038 1.00 15.00 H new ATOM 0 HB2 PHE A 28 13.646 16.703 14.537 1.00 15.00 H new ATOM 0 HB3 PHE A 28 12.999 15.479 15.612 1.00 15.00 H new ATOM 0 HD1 PHE A 28 13.460 16.451 12.108 1.00 15.00 H new ATOM 0 HD2 PHE A 28 12.068 13.431 14.763 1.00 15.00 H new ATOM 0 HE1 PHE A 28 13.441 14.834 10.273 1.00 15.00 H new ATOM 0 HE2 PHE A 28 12.038 11.823 12.920 1.00 15.00 H new ATOM 0 HZ PHE A 28 12.733 12.525 10.679 1.00 15.00 H new ATOM 473 N TYR A 29 9.977 16.071 16.615 1.00 15.00 N ATOM 474 CA TYR A 29 9.088 15.130 17.339 1.00 15.00 C ATOM 475 C TYR A 29 7.742 14.739 16.663 1.00 15.00 C ATOM 476 O TYR A 29 7.425 13.553 16.596 1.00 15.00 O ATOM 477 CB TYR A 29 8.817 15.725 18.741 1.00 15.00 C ATOM 478 CG TYR A 29 7.870 14.932 19.632 1.00 15.00 C ATOM 479 CD1 TYR A 29 8.314 13.862 20.399 1.00 15.00 C ATOM 480 CD2 TYR A 29 6.524 15.284 19.716 1.00 15.00 C ATOM 481 CE1 TYR A 29 7.439 13.166 21.222 1.00 15.00 C ATOM 482 CE2 TYR A 29 5.651 14.595 20.526 1.00 15.00 C ATOM 483 CZ TYR A 29 6.107 13.541 21.277 1.00 15.00 C ATOM 484 OH TYR A 29 5.228 12.861 22.095 1.00 15.00 O ATOM 0 H TYR A 29 10.275 16.855 17.196 1.00 15.00 H new ATOM 0 HA TYR A 29 9.631 14.185 17.359 1.00 15.00 H new ATOM 0 HB2 TYR A 29 9.770 15.829 19.260 1.00 15.00 H new ATOM 0 HB3 TYR A 29 8.411 16.729 18.615 1.00 15.00 H new ATOM 0 HD1 TYR A 29 9.352 13.568 20.354 1.00 15.00 H new ATOM 0 HD2 TYR A 29 6.158 16.116 19.132 1.00 15.00 H new ATOM 0 HE1 TYR A 29 7.795 12.337 21.816 1.00 15.00 H new ATOM 0 HE2 TYR A 29 4.611 14.883 20.571 1.00 15.00 H new ATOM 0 HH TYR A 29 4.334 13.255 22.014 1.00 15.00 H new ATOM 494 N ARG A 30 6.951 15.713 16.240 1.00 15.00 N ATOM 495 CA ARG A 30 5.595 15.434 15.697 1.00 15.00 C ATOM 496 C ARG A 30 5.494 14.387 14.552 1.00 15.00 C ATOM 497 O ARG A 30 4.515 13.636 14.500 1.00 15.00 O ATOM 498 CB ARG A 30 4.861 16.717 15.346 1.00 15.00 C ATOM 499 CG ARG A 30 3.379 16.542 14.998 1.00 15.00 C ATOM 500 CD ARG A 30 2.545 15.975 16.172 1.00 15.00 C ATOM 501 NE ARG A 30 2.810 14.537 16.438 1.00 15.00 N ATOM 502 CZ ARG A 30 2.148 13.764 17.308 1.00 15.00 C ATOM 503 NH1 ARG A 30 1.037 14.196 17.884 1.00 15.00 N ATOM 504 NH2 ARG A 30 2.586 12.533 17.557 1.00 15.00 N ATOM 0 H ARG A 30 7.205 16.701 16.254 1.00 15.00 H new ATOM 0 HA ARG A 30 5.093 14.939 16.528 1.00 15.00 H new ATOM 0 HB2 ARG A 30 4.942 17.406 16.187 1.00 15.00 H new ATOM 0 HB3 ARG A 30 5.364 17.186 14.500 1.00 15.00 H new ATOM 0 HG2 ARG A 30 2.966 17.505 14.698 1.00 15.00 H new ATOM 0 HG3 ARG A 30 3.289 15.875 14.140 1.00 15.00 H new ATOM 0 HD2 ARG A 30 2.760 16.550 17.073 1.00 15.00 H new ATOM 0 HD3 ARG A 30 1.485 16.108 15.954 1.00 15.00 H new ATOM 0 HE ARG A 30 3.565 14.099 15.910 1.00 15.00 H new ATOM 0 HH11 ARG A 30 0.678 15.126 17.666 1.00 15.00 H new ATOM 0 HH12 ARG A 30 0.540 13.599 18.545 1.00 15.00 H new ATOM 0 HH21 ARG A 30 3.421 12.184 17.086 1.00 15.00 H new ATOM 0 HH22 ARG A 30 2.087 11.938 18.219 1.00 15.00 H new ATOM 518 N VAL A 31 6.475 14.325 13.695 1.00 15.00 N ATOM 519 CA VAL A 31 6.508 13.340 12.589 1.00 15.00 C ATOM 520 C VAL A 31 5.414 13.515 11.469 1.00 15.00 C ATOM 521 O VAL A 31 5.693 14.132 10.477 1.00 15.00 O ATOM 522 CB VAL A 31 6.568 11.856 13.112 1.00 15.00 C ATOM 523 CG1 VAL A 31 6.590 10.855 11.966 1.00 15.00 C ATOM 524 CG2 VAL A 31 7.793 11.654 13.995 1.00 15.00 C ATOM 0 H VAL A 31 7.285 14.944 13.722 1.00 15.00 H new ATOM 0 HA VAL A 31 7.445 13.570 12.081 1.00 15.00 H new ATOM 0 HB VAL A 31 5.665 11.680 13.697 1.00 15.00 H new ATOM 0 HG11 VAL A 31 6.632 9.843 12.368 1.00 15.00 H new ATOM 0 HG12 VAL A 31 5.688 10.970 11.365 1.00 15.00 H new ATOM 0 HG13 VAL A 31 7.466 11.034 11.343 1.00 15.00 H new ATOM 0 HG21 VAL A 31 7.821 10.623 14.349 1.00 15.00 H new ATOM 0 HG22 VAL A 31 8.695 11.864 13.420 1.00 15.00 H new ATOM 0 HG23 VAL A 31 7.741 12.329 14.849 1.00 15.00 H new ATOM 534 N PHE A 32 4.177 13.031 11.678 1.00 15.00 N ATOM 535 CA PHE A 32 3.130 12.881 10.604 1.00 15.00 C ATOM 536 C PHE A 32 3.639 12.403 9.235 1.00 15.00 C ATOM 537 O PHE A 32 3.997 13.190 8.380 1.00 15.00 O ATOM 538 CB PHE A 32 2.101 14.014 10.476 1.00 15.00 C ATOM 539 CG PHE A 32 1.110 14.116 11.592 1.00 15.00 C ATOM 540 CD1 PHE A 32 0.042 13.237 11.656 1.00 15.00 C ATOM 541 CD2 PHE A 32 1.229 15.085 12.560 1.00 15.00 C ATOM 542 CE1 PHE A 32 -0.883 13.327 12.670 1.00 15.00 C ATOM 543 CE2 PHE A 32 0.301 15.181 13.579 1.00 15.00 C ATOM 544 CZ PHE A 32 -0.753 14.300 13.634 1.00 15.00 C ATOM 0 H PHE A 32 3.855 12.726 12.596 1.00 15.00 H new ATOM 0 HA PHE A 32 2.565 12.046 11.019 1.00 15.00 H new ATOM 0 HB2 PHE A 32 2.637 14.960 10.402 1.00 15.00 H new ATOM 0 HB3 PHE A 32 1.556 13.882 9.541 1.00 15.00 H new ATOM 0 HD1 PHE A 32 -0.066 12.472 10.901 1.00 15.00 H new ATOM 0 HD2 PHE A 32 2.056 15.778 12.523 1.00 15.00 H new ATOM 0 HE1 PHE A 32 -1.711 12.634 12.709 1.00 15.00 H new ATOM 0 HE2 PHE A 32 0.404 15.948 14.332 1.00 15.00 H new ATOM 0 HZ PHE A 32 -1.477 14.372 14.432 1.00 15.00 H new ATOM 554 N ILE A 33 3.619 11.106 9.055 1.00 15.00 N ATOM 555 CA ILE A 33 4.007 10.456 7.805 1.00 15.00 C ATOM 556 C ILE A 33 2.823 9.623 7.344 1.00 15.00 C ATOM 557 O ILE A 33 1.973 9.289 8.174 1.00 15.00 O ATOM 558 CB ILE A 33 5.248 9.526 8.013 1.00 15.00 C ATOM 559 CG1 ILE A 33 4.934 8.415 9.041 1.00 15.00 C ATOM 560 CG2 ILE A 33 6.471 10.326 8.440 1.00 15.00 C ATOM 561 CD1 ILE A 33 6.043 7.405 9.236 1.00 15.00 C ATOM 0 H ILE A 33 3.329 10.450 9.780 1.00 15.00 H new ATOM 0 HA ILE A 33 4.279 11.209 7.066 1.00 15.00 H new ATOM 0 HB ILE A 33 5.475 9.054 7.057 1.00 15.00 H new ATOM 0 HG12 ILE A 33 4.711 8.880 10.001 1.00 15.00 H new ATOM 0 HG13 ILE A 33 4.033 7.889 8.724 1.00 15.00 H new ATOM 0 HG21 ILE A 33 7.317 9.652 8.577 1.00 15.00 H new ATOM 0 HG22 ILE A 33 6.712 11.060 7.671 1.00 15.00 H new ATOM 0 HG23 ILE A 33 6.261 10.839 9.378 1.00 15.00 H new ATOM 0 HD11 ILE A 33 5.735 6.664 9.974 1.00 15.00 H new ATOM 0 HD12 ILE A 33 6.253 6.908 8.289 1.00 15.00 H new ATOM 0 HD13 ILE A 33 6.941 7.914 9.586 1.00 15.00 H new ATOM 573 N ASN A 34 2.706 9.270 6.063 1.00 15.00 N ATOM 574 CA ASN A 34 1.599 8.434 5.669 1.00 15.00 C ATOM 575 C ASN A 34 2.111 7.185 4.969 1.00 15.00 C ATOM 576 O ASN A 34 2.165 7.122 3.736 1.00 15.00 O ATOM 577 CB ASN A 34 0.598 9.140 4.768 1.00 15.00 C ATOM 578 CG ASN A 34 -0.787 8.575 4.959 1.00 15.00 C ATOM 579 OD1 ASN A 34 -1.128 7.510 4.417 1.00 15.00 O ATOM 580 ND2 ASN A 34 -1.604 9.286 5.695 1.00 15.00 N ATOM 0 H ASN A 34 3.343 9.543 5.315 1.00 15.00 H new ATOM 0 HA ASN A 34 1.074 8.172 6.587 1.00 15.00 H new ATOM 0 HB2 ASN A 34 0.594 10.207 4.988 1.00 15.00 H new ATOM 0 HB3 ASN A 34 0.900 9.031 3.726 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -2.563 8.971 5.842 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -1.281 10.155 6.121 1.00 15.00 H new ATOM 587 N PRO A 35 2.503 6.171 5.725 1.00 15.00 N ATOM 588 CA PRO A 35 3.075 4.955 5.183 1.00 15.00 C ATOM 589 C PRO A 35 1.982 3.931 4.938 1.00 15.00 C ATOM 590 O PRO A 35 2.155 2.735 5.162 1.00 15.00 O ATOM 591 CB PRO A 35 3.991 4.506 6.320 1.00 15.00 C ATOM 592 CG PRO A 35 3.350 5.006 7.581 1.00 15.00 C ATOM 593 CD PRO A 35 2.365 6.081 7.190 1.00 15.00 C ATOM 0 HA PRO A 35 3.588 5.084 4.230 1.00 15.00 H new ATOM 0 HB2 PRO A 35 4.092 3.421 6.336 1.00 15.00 H new ATOM 0 HB3 PRO A 35 4.993 4.917 6.201 1.00 15.00 H new ATOM 0 HG2 PRO A 35 2.845 4.194 8.103 1.00 15.00 H new ATOM 0 HG3 PRO A 35 4.102 5.404 8.262 1.00 15.00 H new ATOM 0 HD2 PRO A 35 1.348 5.816 7.480 1.00 15.00 H new ATOM 0 HD3 PRO A 35 2.597 7.030 7.672 1.00 15.00 H new ATOM 601 N TYR A 36 0.857 4.402 4.475 1.00 15.00 N ATOM 602 CA TYR A 36 -0.273 3.572 4.309 1.00 15.00 C ATOM 603 C TYR A 36 -0.918 3.826 2.957 1.00 15.00 C ATOM 604 O TYR A 36 -1.033 2.928 2.133 1.00 15.00 O ATOM 605 CB TYR A 36 -1.254 3.924 5.433 1.00 15.00 C ATOM 606 CG TYR A 36 -2.471 3.046 5.532 1.00 15.00 C ATOM 607 CD1 TYR A 36 -2.411 1.831 6.192 1.00 15.00 C ATOM 608 CD2 TYR A 36 -3.688 3.446 5.002 1.00 15.00 C ATOM 609 CE1 TYR A 36 -3.527 1.041 6.319 1.00 15.00 C ATOM 610 CE2 TYR A 36 -4.808 2.657 5.120 1.00 15.00 C ATOM 611 CZ TYR A 36 -4.722 1.456 5.781 1.00 15.00 C ATOM 612 OH TYR A 36 -5.842 0.673 5.922 1.00 15.00 O ATOM 0 H TYR A 36 0.712 5.375 4.206 1.00 15.00 H new ATOM 0 HA TYR A 36 0.009 2.520 4.351 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -0.720 3.883 6.383 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -1.582 4.954 5.295 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -1.473 1.500 6.613 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -3.758 4.393 4.488 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -3.466 0.097 6.840 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -5.748 2.979 4.696 1.00 15.00 H new ATOM 0 HH TYR A 36 -6.603 1.110 5.486 1.00 15.00 H new ATOM 622 N ALA A 37 -1.273 5.086 2.721 1.00 15.00 N ATOM 623 CA ALA A 37 -2.039 5.488 1.547 1.00 15.00 C ATOM 624 C ALA A 37 -1.243 5.569 0.241 1.00 15.00 C ATOM 625 O ALA A 37 -1.819 5.962 -0.784 1.00 15.00 O ATOM 626 CB ALA A 37 -2.759 6.802 1.808 1.00 15.00 C ATOM 0 H ALA A 37 -1.036 5.860 3.342 1.00 15.00 H new ATOM 0 HA ALA A 37 -2.757 4.683 1.391 1.00 15.00 H new ATOM 0 HB1 ALA A 37 -3.326 7.088 0.922 1.00 15.00 H new ATOM 0 HB2 ALA A 37 -3.439 6.683 2.652 1.00 15.00 H new ATOM 0 HB3 ALA A 37 -2.029 7.578 2.038 1.00 15.00 H new ATOM 632 N LYS A 38 0.076 5.216 0.244 1.00 15.00 N ATOM 633 CA LYS A 38 0.912 5.279 -0.960 1.00 15.00 C ATOM 634 C LYS A 38 1.095 6.723 -1.403 1.00 15.00 C ATOM 635 O LYS A 38 1.450 6.964 -2.542 1.00 15.00 O ATOM 636 CB LYS A 38 0.304 4.468 -2.141 1.00 15.00 C ATOM 637 CG LYS A 38 0.010 2.984 -1.914 1.00 15.00 C ATOM 638 CD LYS A 38 1.256 2.137 -1.736 1.00 15.00 C ATOM 639 CE LYS A 38 0.873 0.662 -1.717 1.00 15.00 C ATOM 640 NZ LYS A 38 2.041 -0.239 -1.656 1.00 15.00 N ATOM 0 H LYS A 38 0.569 4.887 1.074 1.00 15.00 H new ATOM 0 HA LYS A 38 1.874 4.838 -0.697 1.00 15.00 H new ATOM 0 HB2 LYS A 38 -0.627 4.952 -2.435 1.00 15.00 H new ATOM 0 HB3 LYS A 38 0.986 4.548 -2.988 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -0.620 2.878 -1.031 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.561 2.602 -2.760 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.958 2.330 -2.547 1.00 15.00 H new ATOM 0 HD3 LYS A 38 1.760 2.404 -0.807 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.229 0.471 -0.858 1.00 15.00 H new ATOM 0 HE3 LYS A 38 0.291 0.432 -2.609 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 1.744 -1.168 -1.294 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 2.443 -0.351 -2.608 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.759 0.166 -1.022 1.00 15.00 H new ATOM 654 N VAL A 39 0.951 7.664 -0.475 1.00 15.00 N ATOM 655 CA VAL A 39 1.084 9.105 -0.734 1.00 15.00 C ATOM 656 C VAL A 39 1.212 9.844 0.590 1.00 15.00 C ATOM 657 O VAL A 39 0.230 10.322 1.141 1.00 15.00 O ATOM 658 CB VAL A 39 -0.101 9.770 -1.572 1.00 15.00 C ATOM 659 CG1 VAL A 39 0.074 9.585 -3.070 1.00 15.00 C ATOM 660 CG2 VAL A 39 -1.475 9.246 -1.142 1.00 15.00 C ATOM 0 H VAL A 39 0.734 7.449 0.498 1.00 15.00 H new ATOM 0 HA VAL A 39 1.975 9.198 -1.355 1.00 15.00 H new ATOM 0 HB VAL A 39 -0.053 10.837 -1.354 1.00 15.00 H new ATOM 0 HG11 VAL A 39 -0.758 10.055 -3.594 1.00 15.00 H new ATOM 0 HG12 VAL A 39 1.010 10.046 -3.387 1.00 15.00 H new ATOM 0 HG13 VAL A 39 0.096 8.521 -3.305 1.00 15.00 H new ATOM 0 HG21 VAL A 39 -2.251 9.726 -1.739 1.00 15.00 H new ATOM 0 HG22 VAL A 39 -1.517 8.167 -1.293 1.00 15.00 H new ATOM 0 HG23 VAL A 39 -1.637 9.471 -0.088 1.00 15.00 H new ATOM 670 N ALA A 40 2.367 9.813 1.172 1.00 15.00 N ATOM 671 CA ALA A 40 2.625 10.524 2.362 1.00 15.00 C ATOM 672 C ALA A 40 3.099 11.926 2.112 1.00 15.00 C ATOM 673 O ALA A 40 3.767 12.231 1.107 1.00 15.00 O ATOM 674 CB ALA A 40 3.697 9.813 3.108 1.00 15.00 C ATOM 0 H ALA A 40 3.164 9.282 0.821 1.00 15.00 H new ATOM 0 HA ALA A 40 1.690 10.577 2.919 1.00 15.00 H new ATOM 0 HB1 ALA A 40 3.912 10.347 4.033 1.00 15.00 H new ATOM 0 HB2 ALA A 40 3.368 8.801 3.342 1.00 15.00 H new ATOM 0 HB3 ALA A 40 4.598 9.769 2.496 1.00 15.00 H new ATOM 680 N GLU A 41 2.739 12.743 3.028 1.00 15.00 N ATOM 681 CA GLU A 41 3.185 14.060 3.175 1.00 15.00 C ATOM 682 C GLU A 41 3.671 14.108 4.601 1.00 15.00 C ATOM 683 O GLU A 41 3.027 13.533 5.484 1.00 15.00 O ATOM 684 CB GLU A 41 2.041 15.077 2.947 1.00 15.00 C ATOM 685 CG GLU A 41 0.825 14.978 3.889 1.00 15.00 C ATOM 686 CD GLU A 41 -0.051 13.773 3.637 1.00 15.00 C ATOM 687 OE1 GLU A 41 0.233 12.689 4.162 1.00 15.00 O ATOM 688 OE2 GLU A 41 -1.049 13.900 2.903 1.00 15.00 O ATOM 0 H GLU A 41 2.069 12.478 3.750 1.00 15.00 H new ATOM 0 HA GLU A 41 3.954 14.324 2.450 1.00 15.00 H new ATOM 0 HB2 GLU A 41 2.457 16.081 3.033 1.00 15.00 H new ATOM 0 HB3 GLU A 41 1.687 14.966 1.922 1.00 15.00 H new ATOM 0 HG2 GLU A 41 1.178 14.948 4.920 1.00 15.00 H new ATOM 0 HG3 GLU A 41 0.223 15.880 3.784 1.00 15.00 H new ATOM 695 N VAL A 42 4.801 14.682 4.841 1.00 15.00 N ATOM 696 CA VAL A 42 5.326 14.721 6.182 1.00 15.00 C ATOM 697 C VAL A 42 5.425 16.163 6.610 1.00 15.00 C ATOM 698 O VAL A 42 6.083 16.992 5.956 1.00 15.00 O ATOM 699 CB VAL A 42 6.688 13.997 6.317 1.00 15.00 C ATOM 700 CG1 VAL A 42 7.188 13.950 7.747 1.00 15.00 C ATOM 701 CG2 VAL A 42 6.652 12.615 5.685 1.00 15.00 C ATOM 0 H VAL A 42 5.384 15.132 4.135 1.00 15.00 H new ATOM 0 HA VAL A 42 4.645 14.179 6.838 1.00 15.00 H new ATOM 0 HB VAL A 42 7.412 14.593 5.761 1.00 15.00 H new ATOM 0 HG11 VAL A 42 8.146 13.431 7.781 1.00 15.00 H new ATOM 0 HG12 VAL A 42 7.312 14.966 8.123 1.00 15.00 H new ATOM 0 HG13 VAL A 42 6.466 13.419 8.368 1.00 15.00 H new ATOM 0 HG21 VAL A 42 7.625 12.137 5.799 1.00 15.00 H new ATOM 0 HG22 VAL A 42 5.891 12.010 6.177 1.00 15.00 H new ATOM 0 HG23 VAL A 42 6.414 12.706 4.625 1.00 15.00 H new ATOM 711 N VAL A 43 4.686 16.472 7.673 1.00 15.00 N ATOM 712 CA VAL A 43 4.738 17.792 8.235 1.00 15.00 C ATOM 713 C VAL A 43 5.378 17.731 9.623 1.00 15.00 C ATOM 714 O VAL A 43 4.785 17.211 10.571 1.00 15.00 O ATOM 715 CB VAL A 43 3.319 18.434 8.290 1.00 15.00 C ATOM 716 CG1 VAL A 43 3.336 19.844 8.832 1.00 15.00 C ATOM 717 CG2 VAL A 43 2.632 18.383 6.934 1.00 15.00 C ATOM 0 H VAL A 43 4.056 15.826 8.148 1.00 15.00 H new ATOM 0 HA VAL A 43 5.351 18.427 7.595 1.00 15.00 H new ATOM 0 HB VAL A 43 2.739 17.833 8.990 1.00 15.00 H new ATOM 0 HG11 VAL A 43 2.321 20.240 8.847 1.00 15.00 H new ATOM 0 HG12 VAL A 43 3.739 19.840 9.845 1.00 15.00 H new ATOM 0 HG13 VAL A 43 3.961 20.471 8.196 1.00 15.00 H new ATOM 0 HG21 VAL A 43 1.645 18.839 7.009 1.00 15.00 H new ATOM 0 HG22 VAL A 43 3.229 18.928 6.203 1.00 15.00 H new ATOM 0 HG23 VAL A 43 2.529 17.345 6.617 1.00 15.00 H new ATOM 727 N ILE A 44 6.564 18.300 9.739 1.00 15.00 N ATOM 728 CA ILE A 44 7.302 18.356 10.985 1.00 15.00 C ATOM 729 C ILE A 44 7.781 19.763 11.188 1.00 15.00 C ATOM 730 O ILE A 44 8.028 20.478 10.214 1.00 15.00 O ATOM 731 CB ILE A 44 8.518 17.383 11.018 1.00 15.00 C ATOM 732 CG1 ILE A 44 9.461 17.634 9.826 1.00 15.00 C ATOM 733 CG2 ILE A 44 8.088 15.946 11.087 1.00 15.00 C ATOM 734 CD1 ILE A 44 10.675 16.732 9.790 1.00 15.00 C ATOM 0 H ILE A 44 7.048 18.743 8.958 1.00 15.00 H new ATOM 0 HA ILE A 44 6.630 18.044 11.785 1.00 15.00 H new ATOM 0 HB ILE A 44 9.073 17.590 11.933 1.00 15.00 H new ATOM 0 HG12 ILE A 44 8.900 17.505 8.901 1.00 15.00 H new ATOM 0 HG13 ILE A 44 9.795 18.671 9.854 1.00 15.00 H new ATOM 0 HG21 ILE A 44 8.968 15.303 11.108 1.00 15.00 H new ATOM 0 HG22 ILE A 44 7.500 15.785 11.990 1.00 15.00 H new ATOM 0 HG23 ILE A 44 7.484 15.705 10.213 1.00 15.00 H new ATOM 0 HD11 ILE A 44 11.284 16.976 8.920 1.00 15.00 H new ATOM 0 HD12 ILE A 44 11.263 16.877 10.696 1.00 15.00 H new ATOM 0 HD13 ILE A 44 10.354 15.692 9.728 1.00 15.00 H new ATOM 746 N ASP A 45 7.853 20.180 12.426 1.00 15.00 N ATOM 747 CA ASP A 45 8.383 21.489 12.767 1.00 15.00 C ATOM 748 C ASP A 45 9.849 21.557 12.547 1.00 15.00 C ATOM 749 O ASP A 45 10.340 22.585 12.077 1.00 15.00 O ATOM 750 CB ASP A 45 8.025 21.940 14.177 1.00 15.00 C ATOM 751 CG ASP A 45 6.551 22.149 14.336 1.00 15.00 C ATOM 752 OD1 ASP A 45 6.003 23.073 13.685 1.00 15.00 O ATOM 753 OD2 ASP A 45 5.912 21.384 15.078 1.00 15.00 O ATOM 0 H ASP A 45 7.549 19.629 13.229 1.00 15.00 H new ATOM 0 HA ASP A 45 7.897 22.189 12.087 1.00 15.00 H new ATOM 0 HB2 ASP A 45 8.366 21.194 14.895 1.00 15.00 H new ATOM 0 HB3 ASP A 45 8.551 22.867 14.407 1.00 15.00 H new ATOM 758 N ASP A 46 10.517 20.404 12.813 1.00 15.00 N ATOM 759 CA ASP A 46 11.976 20.206 12.741 1.00 15.00 C ATOM 760 C ASP A 46 12.766 21.447 12.809 1.00 15.00 C ATOM 761 O ASP A 46 13.122 22.069 11.799 1.00 15.00 O ATOM 762 CB ASP A 46 12.482 19.106 11.783 1.00 15.00 C ATOM 763 CG ASP A 46 13.941 19.278 11.313 1.00 15.00 C ATOM 764 OD1 ASP A 46 14.837 19.278 12.120 1.00 15.00 O ATOM 765 OD2 ASP A 46 14.176 19.451 10.086 1.00 15.00 O ATOM 0 H ASP A 46 10.026 19.555 13.095 1.00 15.00 H new ATOM 0 HA ASP A 46 12.204 19.727 13.693 1.00 15.00 H new ATOM 0 HB2 ASP A 46 12.386 18.140 12.279 1.00 15.00 H new ATOM 0 HB3 ASP A 46 11.834 19.080 10.907 1.00 15.00 H new ATOM 770 N SER A 47 13.048 21.821 14.020 1.00 15.00 N ATOM 771 CA SER A 47 13.851 22.965 14.255 1.00 15.00 C ATOM 772 C SER A 47 15.223 22.468 14.758 1.00 15.00 C ATOM 773 O SER A 47 15.742 22.809 15.831 1.00 15.00 O ATOM 774 CB SER A 47 13.162 24.038 15.069 1.00 15.00 C ATOM 775 OG SER A 47 12.567 23.469 16.235 1.00 15.00 O ATOM 0 H SER A 47 12.728 21.342 14.861 1.00 15.00 H new ATOM 0 HA SER A 47 14.027 23.519 13.333 1.00 15.00 H new ATOM 0 HB2 SER A 47 13.882 24.804 15.357 1.00 15.00 H new ATOM 0 HB3 SER A 47 12.399 24.528 14.465 1.00 15.00 H new ATOM 0 HG SER A 47 12.126 24.173 16.754 1.00 15.00 H new ATOM 781 N LYS A 48 15.708 21.596 13.937 1.00 15.00 N ATOM 782 CA LYS A 48 17.022 21.044 13.966 1.00 15.00 C ATOM 783 C LYS A 48 17.565 21.529 12.649 1.00 15.00 C ATOM 784 O LYS A 48 18.697 22.025 12.550 1.00 15.00 O ATOM 785 CB LYS A 48 17.027 19.512 14.033 1.00 15.00 C ATOM 786 CG LYS A 48 18.419 18.912 13.989 1.00 15.00 C ATOM 787 CD LYS A 48 19.211 19.200 15.249 1.00 15.00 C ATOM 788 CE LYS A 48 20.627 18.678 15.120 1.00 15.00 C ATOM 789 NZ LYS A 48 20.658 17.264 14.728 1.00 15.00 N ATOM 0 H LYS A 48 15.152 21.222 13.168 1.00 15.00 H new ATOM 0 HA LYS A 48 17.596 21.342 14.843 1.00 15.00 H new ATOM 0 HB2 LYS A 48 16.531 19.194 14.950 1.00 15.00 H new ATOM 0 HB3 LYS A 48 16.443 19.117 13.202 1.00 15.00 H new ATOM 0 HG2 LYS A 48 18.343 17.834 13.849 1.00 15.00 H new ATOM 0 HG3 LYS A 48 18.956 19.308 13.127 1.00 15.00 H new ATOM 0 HD2 LYS A 48 19.229 20.274 15.436 1.00 15.00 H new ATOM 0 HD3 LYS A 48 18.723 18.735 16.106 1.00 15.00 H new ATOM 0 HE2 LYS A 48 21.166 19.271 14.381 1.00 15.00 H new ATOM 0 HE3 LYS A 48 21.147 18.802 16.070 1.00 15.00 H new ATOM 0 HZ1 LYS A 48 21.634 16.910 14.782 1.00 15.00 H new ATOM 0 HZ2 LYS A 48 20.053 16.712 15.370 1.00 15.00 H new ATOM 0 HZ3 LYS A 48 20.308 17.166 13.754 1.00 15.00 H new ATOM 803 N VAL A 49 16.727 21.305 11.611 1.00 15.00 N ATOM 804 CA VAL A 49 16.798 21.952 10.299 1.00 15.00 C ATOM 805 C VAL A 49 17.353 21.046 9.235 1.00 15.00 C ATOM 806 O VAL A 49 18.499 21.204 8.790 1.00 15.00 O ATOM 807 CB VAL A 49 17.479 23.399 10.281 1.00 15.00 C ATOM 808 CG1 VAL A 49 17.487 24.002 8.871 1.00 15.00 C ATOM 809 CG2 VAL A 49 16.725 24.352 11.197 1.00 15.00 C ATOM 0 H VAL A 49 15.956 20.641 11.676 1.00 15.00 H new ATOM 0 HA VAL A 49 15.755 22.147 10.052 1.00 15.00 H new ATOM 0 HB VAL A 49 18.506 23.270 10.624 1.00 15.00 H new ATOM 0 HG11 VAL A 49 17.957 24.985 8.898 1.00 15.00 H new ATOM 0 HG12 VAL A 49 18.047 23.350 8.200 1.00 15.00 H new ATOM 0 HG13 VAL A 49 16.463 24.100 8.511 1.00 15.00 H new ATOM 0 HG21 VAL A 49 17.201 25.332 11.173 1.00 15.00 H new ATOM 0 HG22 VAL A 49 15.693 24.442 10.859 1.00 15.00 H new ATOM 0 HG23 VAL A 49 16.740 23.966 12.216 1.00 15.00 H new ATOM 819 N ASN A 50 16.549 20.020 8.923 1.00 15.00 N ATOM 820 CA ASN A 50 16.702 19.011 7.830 1.00 15.00 C ATOM 821 C ASN A 50 18.024 18.210 7.747 1.00 15.00 C ATOM 822 O ASN A 50 17.976 17.049 7.479 1.00 15.00 O ATOM 823 CB ASN A 50 16.304 19.558 6.430 1.00 15.00 C ATOM 824 CG ASN A 50 17.248 20.604 5.845 1.00 15.00 C ATOM 825 OD1 ASN A 50 17.101 21.803 6.086 1.00 15.00 O ATOM 826 ND2 ASN A 50 18.193 20.172 5.047 1.00 15.00 N ATOM 0 H ASN A 50 15.702 19.848 9.464 1.00 15.00 H new ATOM 0 HA ASN A 50 15.976 18.266 8.157 1.00 15.00 H new ATOM 0 HB2 ASN A 50 16.242 18.720 5.735 1.00 15.00 H new ATOM 0 HB3 ASN A 50 15.306 19.991 6.498 1.00 15.00 H new ATOM 0 HD21 ASN A 50 18.831 20.835 4.607 1.00 15.00 H new ATOM 0 HD22 ASN A 50 18.291 19.173 4.866 1.00 15.00 H new ATOM 833 N ILE A 51 19.145 18.852 7.961 1.00 15.00 N ATOM 834 CA ILE A 51 20.510 18.308 7.801 1.00 15.00 C ATOM 835 C ILE A 51 20.675 16.745 7.860 1.00 15.00 C ATOM 836 O ILE A 51 20.908 16.125 6.808 1.00 15.00 O ATOM 837 CB ILE A 51 21.543 19.069 8.686 1.00 15.00 C ATOM 838 CG1 ILE A 51 22.953 18.496 8.514 1.00 15.00 C ATOM 839 CG2 ILE A 51 21.118 19.114 10.152 1.00 15.00 C ATOM 840 CD1 ILE A 51 24.029 19.319 9.175 1.00 15.00 C ATOM 0 H ILE A 51 19.152 19.824 8.269 1.00 15.00 H new ATOM 0 HA ILE A 51 20.739 18.510 6.754 1.00 15.00 H new ATOM 0 HB ILE A 51 21.568 20.102 8.339 1.00 15.00 H new ATOM 0 HG12 ILE A 51 22.977 17.486 8.924 1.00 15.00 H new ATOM 0 HG13 ILE A 51 23.174 18.413 7.450 1.00 15.00 H new ATOM 0 HG21 ILE A 51 21.867 19.654 10.732 1.00 15.00 H new ATOM 0 HG22 ILE A 51 20.158 19.623 10.237 1.00 15.00 H new ATOM 0 HG23 ILE A 51 21.025 18.098 10.535 1.00 15.00 H new ATOM 0 HD11 ILE A 51 24.999 18.850 9.010 1.00 15.00 H new ATOM 0 HD12 ILE A 51 24.034 20.322 8.748 1.00 15.00 H new ATOM 0 HD13 ILE A 51 23.834 19.381 10.246 1.00 15.00 H new ATOM 852 N GLU A 52 20.560 16.102 9.031 1.00 15.00 N ATOM 853 CA GLU A 52 20.684 14.642 9.031 1.00 15.00 C ATOM 854 C GLU A 52 19.469 13.897 8.466 1.00 15.00 C ATOM 855 O GLU A 52 19.609 12.834 7.888 1.00 15.00 O ATOM 856 CB GLU A 52 21.207 14.007 10.341 1.00 15.00 C ATOM 857 CG GLU A 52 20.459 14.347 11.606 1.00 15.00 C ATOM 858 CD GLU A 52 20.839 15.688 12.143 1.00 15.00 C ATOM 859 OE1 GLU A 52 21.932 15.815 12.724 1.00 15.00 O ATOM 860 OE2 GLU A 52 20.063 16.630 12.027 1.00 15.00 O ATOM 0 H GLU A 52 20.392 16.538 9.937 1.00 15.00 H new ATOM 0 HA GLU A 52 21.492 14.492 8.314 1.00 15.00 H new ATOM 0 HB2 GLU A 52 21.197 12.924 10.221 1.00 15.00 H new ATOM 0 HB3 GLU A 52 22.248 14.304 10.471 1.00 15.00 H new ATOM 0 HG2 GLU A 52 19.387 14.327 11.409 1.00 15.00 H new ATOM 0 HG3 GLU A 52 20.659 13.586 12.360 1.00 15.00 H new ATOM 867 N GLU A 53 18.287 14.457 8.617 1.00 15.00 N ATOM 868 CA GLU A 53 17.087 13.789 8.103 1.00 15.00 C ATOM 869 C GLU A 53 17.034 13.814 6.563 1.00 15.00 C ATOM 870 O GLU A 53 16.529 12.882 5.932 1.00 15.00 O ATOM 871 CB GLU A 53 15.783 14.266 8.812 1.00 15.00 C ATOM 872 CG GLU A 53 15.405 15.736 8.646 1.00 15.00 C ATOM 873 CD GLU A 53 14.453 16.000 7.493 1.00 15.00 C ATOM 874 OE1 GLU A 53 14.877 15.984 6.329 1.00 15.00 O ATOM 875 OE2 GLU A 53 13.254 16.244 7.738 1.00 15.00 O ATOM 0 H GLU A 53 18.122 15.351 9.079 1.00 15.00 H new ATOM 0 HA GLU A 53 17.158 12.734 8.366 1.00 15.00 H new ATOM 0 HB2 GLU A 53 14.955 13.659 8.444 1.00 15.00 H new ATOM 0 HB3 GLU A 53 15.881 14.059 9.878 1.00 15.00 H new ATOM 0 HG2 GLU A 53 14.948 16.090 9.570 1.00 15.00 H new ATOM 0 HG3 GLU A 53 16.313 16.320 8.495 1.00 15.00 H new ATOM 882 N LEU A 54 17.581 14.874 5.976 1.00 15.00 N ATOM 883 CA LEU A 54 17.722 15.001 4.525 1.00 15.00 C ATOM 884 C LEU A 54 18.712 13.927 4.067 1.00 15.00 C ATOM 885 O LEU A 54 18.517 13.265 3.069 1.00 15.00 O ATOM 886 CB LEU A 54 18.200 16.448 4.174 1.00 15.00 C ATOM 887 CG LEU A 54 18.204 16.913 2.681 1.00 15.00 C ATOM 888 CD1 LEU A 54 19.228 16.183 1.824 1.00 15.00 C ATOM 889 CD2 LEU A 54 16.814 16.778 2.076 1.00 15.00 C ATOM 0 H LEU A 54 17.942 15.675 6.494 1.00 15.00 H new ATOM 0 HA LEU A 54 16.775 14.850 4.007 1.00 15.00 H new ATOM 0 HB2 LEU A 54 17.574 17.144 4.732 1.00 15.00 H new ATOM 0 HB3 LEU A 54 19.216 16.558 4.554 1.00 15.00 H new ATOM 0 HG LEU A 54 18.499 17.962 2.688 1.00 15.00 H new ATOM 0 HD11 LEU A 54 19.177 16.554 0.800 1.00 15.00 H new ATOM 0 HD12 LEU A 54 20.227 16.357 2.224 1.00 15.00 H new ATOM 0 HD13 LEU A 54 19.014 15.114 1.833 1.00 15.00 H new ATOM 0 HD21 LEU A 54 16.836 17.106 1.037 1.00 15.00 H new ATOM 0 HD22 LEU A 54 16.497 15.736 2.121 1.00 15.00 H new ATOM 0 HD23 LEU A 54 16.112 17.395 2.636 1.00 15.00 H new ATOM 901 N LYS A 55 19.719 13.738 4.890 1.00 15.00 N ATOM 902 CA LYS A 55 20.756 12.721 4.724 1.00 15.00 C ATOM 903 C LYS A 55 20.151 11.326 4.806 1.00 15.00 C ATOM 904 O LYS A 55 20.490 10.457 3.991 1.00 15.00 O ATOM 905 CB LYS A 55 21.877 12.975 5.752 1.00 15.00 C ATOM 906 CG LYS A 55 22.747 11.791 6.156 1.00 15.00 C ATOM 907 CD LYS A 55 23.611 11.217 5.064 1.00 15.00 C ATOM 908 CE LYS A 55 24.420 10.063 5.641 1.00 15.00 C ATOM 909 NZ LYS A 55 23.544 9.011 6.231 1.00 15.00 N ATOM 0 H LYS A 55 19.851 14.305 5.727 1.00 15.00 H new ATOM 0 HA LYS A 55 21.207 12.787 3.734 1.00 15.00 H new ATOM 0 HB2 LYS A 55 22.530 13.750 5.352 1.00 15.00 H new ATOM 0 HB3 LYS A 55 21.419 13.379 6.655 1.00 15.00 H new ATOM 0 HG2 LYS A 55 23.391 12.100 6.980 1.00 15.00 H new ATOM 0 HG3 LYS A 55 22.100 11.001 6.536 1.00 15.00 H new ATOM 0 HD2 LYS A 55 22.993 10.869 4.236 1.00 15.00 H new ATOM 0 HD3 LYS A 55 24.276 11.983 4.665 1.00 15.00 H new ATOM 0 HE2 LYS A 55 25.037 9.624 4.857 1.00 15.00 H new ATOM 0 HE3 LYS A 55 25.098 10.442 6.406 1.00 15.00 H new ATOM 0 HZ1 LYS A 55 24.120 8.185 6.490 1.00 15.00 H new ATOM 0 HZ2 LYS A 55 23.075 9.386 7.080 1.00 15.00 H new ATOM 0 HZ3 LYS A 55 22.825 8.727 5.535 1.00 15.00 H new ATOM 923 N GLU A 56 19.298 11.087 5.754 1.00 15.00 N ATOM 924 CA GLU A 56 18.625 9.820 5.805 1.00 15.00 C ATOM 925 C GLU A 56 17.700 9.597 4.582 1.00 15.00 C ATOM 926 O GLU A 56 17.590 8.491 4.111 1.00 15.00 O ATOM 927 CB GLU A 56 17.963 9.585 7.154 1.00 15.00 C ATOM 928 CG GLU A 56 18.982 9.604 8.309 1.00 15.00 C ATOM 929 CD GLU A 56 20.191 8.692 8.079 1.00 15.00 C ATOM 930 OE1 GLU A 56 20.063 7.458 8.155 1.00 15.00 O ATOM 931 OE2 GLU A 56 21.305 9.205 7.796 1.00 15.00 O ATOM 0 H GLU A 56 19.051 11.742 6.496 1.00 15.00 H new ATOM 0 HA GLU A 56 19.379 9.038 5.722 1.00 15.00 H new ATOM 0 HB2 GLU A 56 17.207 10.351 7.325 1.00 15.00 H new ATOM 0 HB3 GLU A 56 17.447 8.625 7.142 1.00 15.00 H new ATOM 0 HG2 GLU A 56 19.332 10.626 8.456 1.00 15.00 H new ATOM 0 HG3 GLU A 56 18.481 9.303 9.229 1.00 15.00 H new ATOM 938 N LYS A 57 17.108 10.694 4.031 1.00 15.00 N ATOM 939 CA LYS A 57 16.264 10.603 2.754 1.00 15.00 C ATOM 940 C LYS A 57 17.120 9.966 1.625 1.00 15.00 C ATOM 941 O LYS A 57 16.607 9.375 0.685 1.00 15.00 O ATOM 942 CB LYS A 57 15.743 11.937 2.206 1.00 15.00 C ATOM 943 CG LYS A 57 14.903 12.848 3.077 1.00 15.00 C ATOM 944 CD LYS A 57 13.574 12.261 3.478 1.00 15.00 C ATOM 945 CE LYS A 57 12.638 13.383 3.918 1.00 15.00 C ATOM 946 NZ LYS A 57 13.243 14.275 4.928 1.00 15.00 N ATOM 0 H LYS A 57 17.182 11.634 4.419 1.00 15.00 H new ATOM 0 HA LYS A 57 15.395 10.011 3.041 1.00 15.00 H new ATOM 0 HB2 LYS A 57 16.610 12.512 1.880 1.00 15.00 H new ATOM 0 HB3 LYS A 57 15.156 11.712 1.315 1.00 15.00 H new ATOM 0 HG2 LYS A 57 15.466 13.093 3.977 1.00 15.00 H new ATOM 0 HG3 LYS A 57 14.729 13.783 2.545 1.00 15.00 H new ATOM 0 HD2 LYS A 57 13.138 11.715 2.642 1.00 15.00 H new ATOM 0 HD3 LYS A 57 13.709 11.546 4.289 1.00 15.00 H new ATOM 0 HE2 LYS A 57 12.350 13.972 3.047 1.00 15.00 H new ATOM 0 HE3 LYS A 57 11.725 12.949 4.325 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 12.753 14.153 5.837 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 14.249 14.037 5.043 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 13.154 15.263 4.616 1.00 15.00 H new ATOM 960 N LEU A 58 18.415 10.130 1.743 1.00 15.00 N ATOM 961 CA LEU A 58 19.390 9.598 0.783 1.00 15.00 C ATOM 962 C LEU A 58 19.411 8.069 0.691 1.00 15.00 C ATOM 963 O LEU A 58 20.128 7.543 -0.160 1.00 15.00 O ATOM 964 CB LEU A 58 20.805 10.202 0.873 1.00 15.00 C ATOM 965 CG LEU A 58 21.061 11.536 0.136 1.00 15.00 C ATOM 966 CD1 LEU A 58 20.160 12.647 0.609 1.00 15.00 C ATOM 967 CD2 LEU A 58 22.512 11.941 0.285 1.00 15.00 C ATOM 0 H LEU A 58 18.842 10.642 2.515 1.00 15.00 H new ATOM 0 HA LEU A 58 18.999 9.954 -0.170 1.00 15.00 H new ATOM 0 HB2 LEU A 58 21.041 10.350 1.927 1.00 15.00 H new ATOM 0 HB3 LEU A 58 21.510 9.465 0.489 1.00 15.00 H new ATOM 0 HG LEU A 58 20.831 11.368 -0.916 1.00 15.00 H new ATOM 0 HD11 LEU A 58 20.386 13.559 0.056 1.00 15.00 H new ATOM 0 HD12 LEU A 58 19.120 12.368 0.441 1.00 15.00 H new ATOM 0 HD13 LEU A 58 20.322 12.819 1.673 1.00 15.00 H new ATOM 0 HD21 LEU A 58 22.683 12.882 -0.238 1.00 15.00 H new ATOM 0 HD22 LEU A 58 22.749 12.065 1.342 1.00 15.00 H new ATOM 0 HD23 LEU A 58 23.151 11.168 -0.142 1.00 15.00 H new ATOM 979 N LYS A 59 18.690 7.339 1.559 1.00 15.00 N ATOM 980 CA LYS A 59 18.534 5.869 1.333 1.00 15.00 C ATOM 981 C LYS A 59 17.867 5.709 -0.059 1.00 15.00 C ATOM 982 O LYS A 59 18.310 4.869 -0.859 1.00 15.00 O ATOM 983 CB LYS A 59 17.650 5.175 2.357 1.00 15.00 C ATOM 984 CG LYS A 59 17.905 5.536 3.798 1.00 15.00 C ATOM 985 CD LYS A 59 19.307 5.301 4.272 1.00 15.00 C ATOM 986 CE LYS A 59 19.394 5.768 5.710 1.00 15.00 C ATOM 987 NZ LYS A 59 20.743 5.666 6.293 1.00 15.00 N ATOM 0 H LYS A 59 18.222 7.707 2.387 1.00 15.00 H new ATOM 0 HA LYS A 59 19.519 5.409 1.412 1.00 15.00 H new ATOM 0 HB2 LYS A 59 16.610 5.402 2.124 1.00 15.00 H new ATOM 0 HB3 LYS A 59 17.774 4.098 2.245 1.00 15.00 H new ATOM 0 HG2 LYS A 59 17.661 6.588 3.942 1.00 15.00 H new ATOM 0 HG3 LYS A 59 17.224 4.962 4.427 1.00 15.00 H new ATOM 0 HD2 LYS A 59 19.563 4.244 4.197 1.00 15.00 H new ATOM 0 HD3 LYS A 59 20.017 5.846 3.650 1.00 15.00 H new ATOM 0 HE2 LYS A 59 19.063 6.805 5.765 1.00 15.00 H new ATOM 0 HE3 LYS A 59 18.703 5.181 6.314 1.00 15.00 H new ATOM 0 HZ1 LYS A 59 20.786 6.226 7.168 1.00 15.00 H new ATOM 0 HZ2 LYS A 59 20.954 4.671 6.508 1.00 15.00 H new ATOM 0 HZ3 LYS A 59 21.443 6.029 5.615 1.00 15.00 H new ATOM 1001 N GLY A 60 16.897 6.570 -0.359 1.00 15.00 N ATOM 1002 CA GLY A 60 16.233 6.596 -1.655 1.00 15.00 C ATOM 1003 C GLY A 60 15.721 5.262 -2.156 1.00 15.00 C ATOM 1004 O GLY A 60 16.018 4.868 -3.286 1.00 15.00 O ATOM 0 H GLY A 60 16.550 7.272 0.295 1.00 15.00 H new ATOM 0 HA2 GLY A 60 15.394 7.289 -1.599 1.00 15.00 H new ATOM 0 HA3 GLY A 60 16.929 6.997 -2.392 1.00 15.00 H new ATOM 1008 N GLU A 61 14.977 4.567 -1.359 1.00 15.00 N ATOM 1009 CA GLU A 61 14.419 3.293 -1.773 1.00 15.00 C ATOM 1010 C GLU A 61 12.972 3.587 -1.774 1.00 15.00 C ATOM 1011 O GLU A 61 12.666 4.694 -1.442 1.00 15.00 O ATOM 1012 CB GLU A 61 14.668 2.234 -0.690 1.00 15.00 C ATOM 1013 CG GLU A 61 16.104 2.026 -0.258 1.00 15.00 C ATOM 1014 CD GLU A 61 16.204 0.962 0.816 1.00 15.00 C ATOM 1015 OE1 GLU A 61 15.824 1.215 1.982 1.00 15.00 O ATOM 1016 OE2 GLU A 61 16.645 -0.160 0.529 1.00 15.00 O ATOM 0 H GLU A 61 14.733 4.850 -0.410 1.00 15.00 H new ATOM 0 HA GLU A 61 14.830 2.925 -2.713 1.00 15.00 H new ATOM 0 HB2 GLU A 61 14.084 2.504 0.190 1.00 15.00 H new ATOM 0 HB3 GLU A 61 14.280 1.281 -1.050 1.00 15.00 H new ATOM 0 HG2 GLU A 61 16.707 1.736 -1.118 1.00 15.00 H new ATOM 0 HG3 GLU A 61 16.513 2.964 0.116 1.00 15.00 H new ATOM 1023 N VAL A 62 12.076 2.775 -2.390 1.00 15.00 N ATOM 1024 CA VAL A 62 10.648 2.810 -1.890 1.00 15.00 C ATOM 1025 C VAL A 62 9.908 4.083 -2.321 1.00 15.00 C ATOM 1026 O VAL A 62 8.841 4.450 -1.800 1.00 15.00 O ATOM 1027 CB VAL A 62 10.615 2.725 -0.224 1.00 15.00 C ATOM 1028 CG1 VAL A 62 11.348 1.506 0.292 1.00 15.00 C ATOM 1029 CG2 VAL A 62 10.967 3.972 0.602 1.00 15.00 C ATOM 0 H VAL A 62 12.272 2.139 -3.163 1.00 15.00 H new ATOM 0 HA VAL A 62 10.145 1.949 -2.331 1.00 15.00 H new ATOM 0 HB VAL A 62 9.542 2.642 -0.049 1.00 15.00 H new ATOM 0 HG11 VAL A 62 11.303 1.488 1.381 1.00 15.00 H new ATOM 0 HG12 VAL A 62 10.880 0.605 -0.105 1.00 15.00 H new ATOM 0 HG13 VAL A 62 12.389 1.545 -0.027 1.00 15.00 H new ATOM 0 HG21 VAL A 62 10.894 3.737 1.664 1.00 15.00 H new ATOM 0 HG22 VAL A 62 11.984 4.288 0.369 1.00 15.00 H new ATOM 0 HG23 VAL A 62 10.273 4.777 0.360 1.00 15.00 H new ATOM 1039 N ILE A 63 10.565 4.761 -3.296 1.00 15.00 N ATOM 1040 CA ILE A 63 10.087 5.994 -3.966 1.00 15.00 C ATOM 1041 C ILE A 63 10.416 7.227 -3.066 1.00 15.00 C ATOM 1042 O ILE A 63 9.879 8.328 -3.203 1.00 15.00 O ATOM 1043 CB ILE A 63 8.556 5.900 -4.375 1.00 15.00 C ATOM 1044 CG1 ILE A 63 8.333 4.619 -5.211 1.00 15.00 C ATOM 1045 CG2 ILE A 63 8.139 7.116 -5.222 1.00 15.00 C ATOM 1046 CD1 ILE A 63 6.894 4.341 -5.581 1.00 15.00 C ATOM 0 H ILE A 63 11.472 4.453 -3.648 1.00 15.00 H new ATOM 0 HA ILE A 63 10.616 6.118 -4.911 1.00 15.00 H new ATOM 0 HB ILE A 63 7.956 5.878 -3.465 1.00 15.00 H new ATOM 0 HG12 ILE A 63 8.920 4.694 -6.126 1.00 15.00 H new ATOM 0 HG13 ILE A 63 8.720 3.767 -4.653 1.00 15.00 H new ATOM 0 HG21 ILE A 63 7.086 7.029 -5.490 1.00 15.00 H new ATOM 0 HG22 ILE A 63 8.293 8.029 -4.648 1.00 15.00 H new ATOM 0 HG23 ILE A 63 8.742 7.152 -6.129 1.00 15.00 H new ATOM 0 HD11 ILE A 63 6.840 3.423 -6.166 1.00 15.00 H new ATOM 0 HD12 ILE A 63 6.300 4.229 -4.674 1.00 15.00 H new ATOM 0 HD13 ILE A 63 6.503 5.170 -6.170 1.00 15.00 H new ATOM 1058 N GLU A 64 11.396 7.020 -2.208 1.00 15.00 N ATOM 1059 CA GLU A 64 12.025 8.069 -1.398 1.00 15.00 C ATOM 1060 C GLU A 64 13.094 8.809 -2.286 1.00 15.00 C ATOM 1061 O GLU A 64 14.219 9.070 -1.881 1.00 15.00 O ATOM 1062 CB GLU A 64 12.693 7.397 -0.167 1.00 15.00 C ATOM 1063 CG GLU A 64 13.308 8.346 0.857 1.00 15.00 C ATOM 1064 CD GLU A 64 13.999 7.612 1.986 1.00 15.00 C ATOM 1065 OE1 GLU A 64 14.701 6.592 1.713 1.00 15.00 O ATOM 1066 OE2 GLU A 64 13.867 8.047 3.148 1.00 15.00 O ATOM 0 H GLU A 64 11.794 6.095 -2.044 1.00 15.00 H new ATOM 0 HA GLU A 64 11.293 8.798 -1.050 1.00 15.00 H new ATOM 0 HB2 GLU A 64 11.947 6.783 0.337 1.00 15.00 H new ATOM 0 HB3 GLU A 64 13.472 6.723 -0.523 1.00 15.00 H new ATOM 0 HG2 GLU A 64 14.026 8.998 0.359 1.00 15.00 H new ATOM 0 HG3 GLU A 64 12.528 8.987 1.268 1.00 15.00 H new ATOM 1073 N GLU A 65 12.692 9.152 -3.506 1.00 15.00 N ATOM 1074 CA GLU A 65 13.549 9.843 -4.492 1.00 15.00 C ATOM 1075 C GLU A 65 13.960 11.229 -4.013 1.00 15.00 C ATOM 1076 O GLU A 65 15.084 11.679 -4.252 1.00 15.00 O ATOM 1077 CB GLU A 65 12.754 10.019 -5.792 1.00 15.00 C ATOM 1078 CG GLU A 65 12.482 8.750 -6.574 1.00 15.00 C ATOM 1079 CD GLU A 65 13.738 8.161 -7.157 1.00 15.00 C ATOM 1080 OE1 GLU A 65 14.350 8.817 -8.042 1.00 15.00 O ATOM 1081 OE2 GLU A 65 14.114 7.038 -6.795 1.00 15.00 O ATOM 0 H GLU A 65 11.752 8.960 -3.852 1.00 15.00 H new ATOM 0 HA GLU A 65 14.445 9.240 -4.637 1.00 15.00 H new ATOM 0 HB2 GLU A 65 11.799 10.487 -5.552 1.00 15.00 H new ATOM 0 HB3 GLU A 65 13.296 10.712 -6.436 1.00 15.00 H new ATOM 0 HG2 GLU A 65 12.008 8.017 -5.921 1.00 15.00 H new ATOM 0 HG3 GLU A 65 11.777 8.964 -7.377 1.00 15.00 H new ATOM 1088 N LYS A 66 13.060 11.846 -3.297 1.00 15.00 N ATOM 1089 CA LYS A 66 13.183 13.231 -2.881 1.00 15.00 C ATOM 1090 C LYS A 66 12.027 13.609 -1.991 1.00 15.00 C ATOM 1091 O LYS A 66 11.197 12.754 -1.620 1.00 15.00 O ATOM 1092 CB LYS A 66 13.197 14.137 -4.135 1.00 15.00 C ATOM 1093 CG LYS A 66 11.934 14.004 -4.982 1.00 15.00 C ATOM 1094 CD LYS A 66 11.935 14.828 -6.275 1.00 15.00 C ATOM 1095 CE LYS A 66 12.979 14.372 -7.300 1.00 15.00 C ATOM 1096 NZ LYS A 66 14.353 14.842 -6.999 1.00 15.00 N ATOM 0 H LYS A 66 12.201 11.398 -2.976 1.00 15.00 H new ATOM 0 HA LYS A 66 14.111 13.361 -2.323 1.00 15.00 H new ATOM 0 HB2 LYS A 66 13.312 15.176 -3.825 1.00 15.00 H new ATOM 0 HB3 LYS A 66 14.065 13.889 -4.746 1.00 15.00 H new ATOM 0 HG2 LYS A 66 11.794 12.954 -5.238 1.00 15.00 H new ATOM 0 HG3 LYS A 66 11.076 14.302 -4.379 1.00 15.00 H new ATOM 0 HD2 LYS A 66 10.946 14.774 -6.730 1.00 15.00 H new ATOM 0 HD3 LYS A 66 12.115 15.874 -6.028 1.00 15.00 H new ATOM 0 HE2 LYS A 66 12.979 13.283 -7.346 1.00 15.00 H new ATOM 0 HE3 LYS A 66 12.689 14.733 -8.287 1.00 15.00 H new ATOM 0 HZ1 LYS A 66 14.763 15.281 -7.848 1.00 15.00 H new ATOM 0 HZ2 LYS A 66 14.320 15.540 -6.229 1.00 15.00 H new ATOM 0 HZ3 LYS A 66 14.940 14.034 -6.709 1.00 15.00 H new ATOM 1110 N GLU A 67 11.962 14.865 -1.658 1.00 15.00 N ATOM 1111 CA GLU A 67 10.913 15.400 -0.882 1.00 15.00 C ATOM 1112 C GLU A 67 10.350 16.620 -1.581 1.00 15.00 C ATOM 1113 O GLU A 67 11.118 17.433 -2.082 1.00 15.00 O ATOM 1114 CB GLU A 67 11.421 15.794 0.520 1.00 15.00 C ATOM 1115 CG GLU A 67 12.752 16.513 0.543 1.00 15.00 C ATOM 1116 CD GLU A 67 13.072 17.099 1.895 1.00 15.00 C ATOM 1117 OE1 GLU A 67 13.209 16.343 2.881 1.00 15.00 O ATOM 1118 OE2 GLU A 67 13.202 18.346 1.981 1.00 15.00 O ATOM 0 H GLU A 67 12.663 15.553 -1.933 1.00 15.00 H new ATOM 0 HA GLU A 67 10.136 14.645 -0.768 1.00 15.00 H new ATOM 0 HB2 GLU A 67 10.674 16.430 0.994 1.00 15.00 H new ATOM 0 HB3 GLU A 67 11.503 14.892 1.126 1.00 15.00 H new ATOM 0 HG2 GLU A 67 13.541 15.818 0.257 1.00 15.00 H new ATOM 0 HG3 GLU A 67 12.743 17.309 -0.201 1.00 15.00 H new ATOM 1125 N ILE A 68 9.038 16.650 -1.771 1.00 15.00 N ATOM 1126 CA ILE A 68 8.327 17.837 -2.232 1.00 15.00 C ATOM 1127 C ILE A 68 8.830 19.117 -1.569 1.00 15.00 C ATOM 1128 O ILE A 68 9.470 19.882 -2.289 1.00 15.00 O ATOM 1129 CB ILE A 68 6.773 17.672 -2.176 1.00 15.00 C ATOM 1130 CG1 ILE A 68 6.050 18.905 -2.724 1.00 15.00 C ATOM 1131 CG2 ILE A 68 6.271 17.303 -0.798 1.00 15.00 C ATOM 1132 CD1 ILE A 68 6.289 19.146 -4.190 1.00 15.00 C ATOM 0 H ILE A 68 8.432 15.846 -1.609 1.00 15.00 H new ATOM 0 HA ILE A 68 8.565 17.946 -3.290 1.00 15.00 H new ATOM 0 HB ILE A 68 6.534 16.832 -2.828 1.00 15.00 H new ATOM 0 HG12 ILE A 68 4.979 18.793 -2.553 1.00 15.00 H new ATOM 0 HG13 ILE A 68 6.372 19.783 -2.164 1.00 15.00 H new ATOM 0 HG21 ILE A 68 5.186 17.202 -0.821 1.00 15.00 H new ATOM 0 HG22 ILE A 68 6.717 16.357 -0.490 1.00 15.00 H new ATOM 0 HG23 ILE A 68 6.548 18.083 -0.089 1.00 15.00 H new ATOM 0 HD11 ILE A 68 5.745 20.036 -4.506 1.00 15.00 H new ATOM 0 HD12 ILE A 68 7.355 19.291 -4.366 1.00 15.00 H new ATOM 0 HD13 ILE A 68 5.941 18.286 -4.762 1.00 15.00 H new ATOM 1144 N THR A 69 8.583 19.390 -0.282 1.00 15.00 N ATOM 1145 CA THR A 69 9.151 20.621 0.361 1.00 15.00 C ATOM 1146 C THR A 69 8.477 21.931 -0.168 1.00 15.00 C ATOM 1147 O THR A 69 8.214 22.833 0.629 1.00 15.00 O ATOM 1148 CB THR A 69 10.696 20.678 0.151 1.00 15.00 C ATOM 1149 OG1 THR A 69 11.226 19.371 0.429 1.00 15.00 O ATOM 1150 CG2 THR A 69 11.343 21.684 1.094 1.00 15.00 C ATOM 0 H THR A 69 8.015 18.808 0.333 1.00 15.00 H new ATOM 0 HA THR A 69 8.937 20.558 1.428 1.00 15.00 H new ATOM 0 HB THR A 69 10.909 20.986 -0.873 1.00 15.00 H new ATOM 0 HG1 THR A 69 11.965 19.447 1.069 1.00 15.00 H new ATOM 0 HG21 THR A 69 12.420 21.701 0.924 1.00 15.00 H new ATOM 0 HG22 THR A 69 10.930 22.675 0.907 1.00 15.00 H new ATOM 0 HG23 THR A 69 11.143 21.396 2.126 1.00 15.00 H new ATOM 1158 N LEU A 70 8.200 22.020 -1.464 1.00 15.00 N ATOM 1159 CA LEU A 70 7.496 23.113 -2.097 1.00 15.00 C ATOM 1160 C LEU A 70 6.206 23.541 -1.396 1.00 15.00 C ATOM 1161 O LEU A 70 6.193 24.546 -0.680 1.00 15.00 O ATOM 1162 CB LEU A 70 7.080 22.589 -3.500 1.00 15.00 C ATOM 1163 CG LEU A 70 6.325 23.570 -4.401 1.00 15.00 C ATOM 1164 CD1 LEU A 70 7.214 24.714 -4.826 1.00 15.00 C ATOM 1165 CD2 LEU A 70 5.741 22.854 -5.602 1.00 15.00 C ATOM 0 H LEU A 70 8.476 21.295 -2.127 1.00 15.00 H new ATOM 0 HA LEU A 70 8.160 23.978 -2.090 1.00 15.00 H new ATOM 0 HB2 LEU A 70 7.980 22.268 -4.025 1.00 15.00 H new ATOM 0 HB3 LEU A 70 6.458 21.704 -3.363 1.00 15.00 H new ATOM 0 HG LEU A 70 5.500 23.991 -3.826 1.00 15.00 H new ATOM 0 HD11 LEU A 70 6.651 25.394 -5.465 1.00 15.00 H new ATOM 0 HD12 LEU A 70 7.564 25.250 -3.944 1.00 15.00 H new ATOM 0 HD13 LEU A 70 8.070 24.324 -5.377 1.00 15.00 H new ATOM 0 HD21 LEU A 70 5.209 23.570 -6.229 1.00 15.00 H new ATOM 0 HD22 LEU A 70 6.544 22.394 -6.178 1.00 15.00 H new ATOM 0 HD23 LEU A 70 5.049 22.082 -5.265 1.00 15.00 H new ATOM 1177 N GLN A 71 5.129 22.772 -1.581 1.00 15.00 N ATOM 1178 CA GLN A 71 3.856 23.195 -1.050 1.00 15.00 C ATOM 1179 C GLN A 71 2.797 22.088 -1.070 1.00 15.00 C ATOM 1180 O GLN A 71 2.894 21.113 -1.798 1.00 15.00 O ATOM 1181 CB GLN A 71 3.379 24.433 -1.875 1.00 15.00 C ATOM 1182 CG GLN A 71 2.138 25.172 -1.371 1.00 15.00 C ATOM 1183 CD GLN A 71 2.349 25.821 -0.021 1.00 15.00 C ATOM 1184 OE1 GLN A 71 3.461 26.212 0.328 1.00 15.00 O ATOM 1185 NE2 GLN A 71 1.296 25.967 0.724 1.00 15.00 N ATOM 0 H GLN A 71 5.122 21.882 -2.080 1.00 15.00 H new ATOM 0 HA GLN A 71 3.988 23.453 0.001 1.00 15.00 H new ATOM 0 HB2 GLN A 71 4.202 25.146 -1.920 1.00 15.00 H new ATOM 0 HB3 GLN A 71 3.185 24.104 -2.896 1.00 15.00 H new ATOM 0 HG2 GLN A 71 1.856 25.936 -2.096 1.00 15.00 H new ATOM 0 HG3 GLN A 71 1.305 24.472 -1.306 1.00 15.00 H new ATOM 0 HE21 GLN A 71 0.390 25.629 0.399 1.00 15.00 H new ATOM 0 HE22 GLN A 71 1.374 26.420 1.635 1.00 15.00 H new ATOM 1194 N GLU A 72 1.782 22.367 -0.309 1.00 15.00 N ATOM 1195 CA GLU A 72 0.577 21.651 -0.137 1.00 15.00 C ATOM 1196 C GLU A 72 -0.393 22.096 -1.209 1.00 15.00 C ATOM 1197 O GLU A 72 -1.413 22.731 -0.913 1.00 15.00 O ATOM 1198 CB GLU A 72 0.041 22.249 1.248 1.00 15.00 C ATOM 1199 CG GLU A 72 -1.343 21.760 1.762 1.00 15.00 C ATOM 1200 CD GLU A 72 -1.504 20.262 1.909 1.00 15.00 C ATOM 1201 OE1 GLU A 72 -1.941 19.609 0.937 1.00 15.00 O ATOM 1202 OE2 GLU A 72 -1.313 19.735 3.012 1.00 15.00 O ATOM 0 H GLU A 72 1.792 23.206 0.271 1.00 15.00 H new ATOM 0 HA GLU A 72 0.690 20.567 -0.169 1.00 15.00 H new ATOM 0 HB2 GLU A 72 0.781 22.028 2.017 1.00 15.00 H new ATOM 0 HB3 GLU A 72 -0.002 23.334 1.150 1.00 15.00 H new ATOM 0 HG2 GLU A 72 -1.533 22.223 2.730 1.00 15.00 H new ATOM 0 HG3 GLU A 72 -2.111 22.123 1.079 1.00 15.00 H new ATOM 1209 N LEU A 73 -0.138 21.873 -2.470 1.00 15.00 N ATOM 1210 CA LEU A 73 -1.028 22.484 -3.421 1.00 15.00 C ATOM 1211 C LEU A 73 -1.478 21.433 -4.398 1.00 15.00 C ATOM 1212 O LEU A 73 -0.649 20.630 -4.839 1.00 15.00 O ATOM 1213 CB LEU A 73 -0.383 23.745 -4.120 1.00 15.00 C ATOM 1214 CG LEU A 73 0.976 23.611 -4.884 1.00 15.00 C ATOM 1215 CD1 LEU A 73 0.837 22.900 -6.228 1.00 15.00 C ATOM 1216 CD2 LEU A 73 1.591 24.984 -5.098 1.00 15.00 C ATOM 0 H LEU A 73 0.626 21.311 -2.847 1.00 15.00 H new ATOM 0 HA LEU A 73 -1.903 22.875 -2.902 1.00 15.00 H new ATOM 0 HB2 LEU A 73 -1.115 24.132 -4.828 1.00 15.00 H new ATOM 0 HB3 LEU A 73 -0.249 24.507 -3.352 1.00 15.00 H new ATOM 0 HG LEU A 73 1.626 22.998 -4.260 1.00 15.00 H new ATOM 0 HD11 LEU A 73 1.813 22.838 -6.709 1.00 15.00 H new ATOM 0 HD12 LEU A 73 0.446 21.895 -6.069 1.00 15.00 H new ATOM 0 HD13 LEU A 73 0.152 23.459 -6.866 1.00 15.00 H new ATOM 0 HD21 LEU A 73 2.536 24.880 -5.630 1.00 15.00 H new ATOM 0 HD22 LEU A 73 0.910 25.600 -5.685 1.00 15.00 H new ATOM 0 HD23 LEU A 73 1.768 25.458 -4.132 1.00 15.00 H new ATOM 1228 N ILE A 74 -2.748 21.357 -4.645 1.00 15.00 N ATOM 1229 CA ILE A 74 -3.302 20.448 -5.630 1.00 15.00 C ATOM 1230 C ILE A 74 -4.772 20.800 -5.753 1.00 15.00 C ATOM 1231 O ILE A 74 -5.096 21.959 -5.282 1.00 15.00 O ATOM 1232 CB ILE A 74 -3.102 18.934 -5.204 1.00 15.00 C ATOM 1233 CG1 ILE A 74 -3.212 17.942 -6.411 1.00 15.00 C ATOM 1234 CG2 ILE A 74 -4.034 18.529 -4.073 1.00 15.00 C ATOM 1235 CD1 ILE A 74 -4.555 17.883 -7.123 1.00 15.00 C ATOM 0 H ILE A 74 -3.448 21.926 -4.169 1.00 15.00 H new ATOM 0 HA ILE A 74 -2.792 20.554 -6.588 1.00 15.00 H new ATOM 0 HB ILE A 74 -2.080 18.864 -4.831 1.00 15.00 H new ATOM 0 HG12 ILE A 74 -2.450 18.210 -7.143 1.00 15.00 H new ATOM 0 HG13 ILE A 74 -2.972 16.941 -6.052 1.00 15.00 H new ATOM 0 HG21 ILE A 74 -3.861 17.484 -3.815 1.00 15.00 H new ATOM 0 HG22 ILE A 74 -3.842 19.154 -3.201 1.00 15.00 H new ATOM 0 HG23 ILE A 74 -5.069 18.658 -4.390 1.00 15.00 H new ATOM 0 HD11 ILE A 74 -4.503 17.161 -7.938 1.00 15.00 H new ATOM 0 HD12 ILE A 74 -5.328 17.579 -6.417 1.00 15.00 H new ATOM 0 HD13 ILE A 74 -4.797 18.867 -7.524 1.00 15.00 H new