USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc=-0.00675 X(o=-0.0067,f=-0.15) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.59) USER MOD Single : A 30 TYR OH : rot 165:sc= 0.333 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.75 F(o=-3.5!,f=-1.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 68:sc= -0.0359 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc=-0.000228 (180deg=-0.0162) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -0:sc= 0.0677 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 142:sc= 0.901 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -136:sc= 1.29 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0848 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -170:sc= -0.245 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.698 K(o=0.7,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -7.247 -5.308 -16.403 1.00 0.00 N ATOM 28 CA GLU A 3 -5.796 -5.336 -16.325 1.00 0.00 C ATOM 29 C GLU A 3 -5.364 -4.609 -15.053 1.00 0.00 C ATOM 30 O GLU A 3 -6.192 -4.111 -14.293 1.00 0.00 O ATOM 31 CB GLU A 3 -5.185 -4.712 -17.592 1.00 0.00 C ATOM 32 CG GLU A 3 -4.212 -5.691 -18.265 1.00 0.00 C ATOM 33 CD GLU A 3 -3.641 -5.120 -19.560 1.00 0.00 C ATOM 34 OE1 GLU A 3 -3.023 -4.037 -19.476 1.00 0.00 O ATOM 35 OE2 GLU A 3 -3.834 -5.775 -20.606 1.00 0.00 O ATOM 0 HA GLU A 3 -5.433 -6.363 -16.275 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.978 -4.443 -18.290 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.662 -3.791 -17.334 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.397 -5.923 -17.579 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.727 -6.628 -18.477 1.00 0.00 H new ATOM 42 N TRP A 4 -4.054 -4.555 -14.829 1.00 0.00 N ATOM 43 CA TRP A 4 -3.493 -3.892 -13.669 1.00 0.00 C ATOM 44 C TRP A 4 -3.634 -2.372 -13.816 1.00 0.00 C ATOM 45 O TRP A 4 -3.848 -1.873 -14.921 1.00 0.00 O ATOM 46 CB TRP A 4 -2.030 -4.305 -13.510 1.00 0.00 C ATOM 47 CG TRP A 4 -1.737 -5.757 -13.261 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.007 -6.796 -14.084 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.092 -6.343 -12.093 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.592 -7.975 -13.500 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.021 -7.755 -12.264 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.585 -5.817 -10.889 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.471 -8.603 -11.291 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.067 -6.659 -9.890 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.012 -8.049 -10.085 1.00 0.00 C ATOM 0 H TRP A 4 -3.358 -4.970 -15.448 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.035 -4.190 -12.771 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.497 -4.005 -14.412 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.607 -3.731 -12.685 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.477 -6.715 -15.053 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.695 -8.895 -13.929 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.594 -4.749 -10.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.402 -9.666 -11.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.292 -6.234 -8.964 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.382 -8.690 -9.310 1.00 0.00 H new ATOM 66 N GLU A 5 -3.508 -1.641 -12.707 1.00 0.00 N ATOM 67 CA GLU A 5 -3.621 -0.192 -12.654 1.00 0.00 C ATOM 68 C GLU A 5 -2.542 0.393 -11.748 1.00 0.00 C ATOM 69 O GLU A 5 -1.892 -0.313 -10.973 1.00 0.00 O ATOM 70 CB GLU A 5 -5.005 0.204 -12.125 1.00 0.00 C ATOM 71 CG GLU A 5 -6.073 0.267 -13.221 1.00 0.00 C ATOM 72 CD GLU A 5 -5.920 1.523 -14.073 1.00 0.00 C ATOM 73 OE1 GLU A 5 -6.304 2.597 -13.562 1.00 0.00 O ATOM 74 OE2 GLU A 5 -5.406 1.396 -15.205 1.00 0.00 O ATOM 0 H GLU A 5 -3.319 -2.059 -11.796 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.490 0.204 -13.661 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.315 -0.513 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.936 1.176 -11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.999 -0.616 -13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.064 0.251 -12.767 1.00 0.00 H new ATOM 81 N ILE A 6 -2.393 1.710 -11.854 1.00 0.00 N ATOM 82 CA ILE A 6 -1.439 2.494 -11.091 1.00 0.00 C ATOM 83 C ILE A 6 -1.846 2.536 -9.617 1.00 0.00 C ATOM 84 O ILE A 6 -3.030 2.537 -9.281 1.00 0.00 O ATOM 85 CB ILE A 6 -1.273 3.901 -11.701 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.573 4.733 -11.717 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.707 3.795 -13.125 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.491 5.919 -10.752 1.00 0.00 C ATOM 0 H ILE A 6 -2.952 2.274 -12.494 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.461 2.015 -11.142 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.576 4.431 -11.051 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.761 5.097 -12.727 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.416 4.098 -11.444 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.594 4.794 -13.547 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.264 3.301 -13.095 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.390 3.214 -13.746 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.423 6.483 -10.789 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.328 5.553 -9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.663 6.567 -11.041 1.00 0.00 H new ATOM 100 N ILE A 7 -0.846 2.558 -8.736 1.00 0.00 N ATOM 101 CA ILE A 7 -1.042 2.714 -7.305 1.00 0.00 C ATOM 102 C ILE A 7 -1.395 4.177 -7.017 1.00 0.00 C ATOM 103 O ILE A 7 -0.625 5.076 -7.355 1.00 0.00 O ATOM 104 CB ILE A 7 0.206 2.206 -6.553 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.123 2.475 -5.040 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.507 2.786 -7.122 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.503 1.254 -4.196 1.00 0.00 C ATOM 0 H ILE A 7 0.134 2.466 -9.005 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.874 2.110 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 7 0.224 1.127 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.783 3.305 -4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.891 2.785 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.355 2.398 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.605 2.500 -8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.486 3.873 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.426 1.505 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.173 0.430 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.527 0.958 -4.425 1.00 0.00 H new ATOM 119 N ASP A 8 -2.563 4.439 -6.424 1.00 0.00 N ATOM 120 CA ASP A 8 -2.926 5.805 -6.066 1.00 0.00 C ATOM 121 C ASP A 8 -2.150 6.223 -4.809 1.00 0.00 C ATOM 122 O ASP A 8 -1.583 5.383 -4.107 1.00 0.00 O ATOM 123 CB ASP A 8 -4.447 5.928 -5.877 1.00 0.00 C ATOM 124 CG ASP A 8 -4.999 7.314 -6.204 1.00 0.00 C ATOM 125 OD1 ASP A 8 -4.181 8.255 -6.336 1.00 0.00 O ATOM 126 OD2 ASP A 8 -6.240 7.407 -6.312 1.00 0.00 O ATOM 0 H ASP A 8 -3.260 3.734 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.653 6.484 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.943 5.191 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.696 5.682 -4.845 1.00 0.00 H new ATOM 131 N ILE A 9 -2.127 7.522 -4.513 1.00 0.00 N ATOM 132 CA ILE A 9 -1.438 8.073 -3.351 1.00 0.00 C ATOM 133 C ILE A 9 -2.450 8.291 -2.217 1.00 0.00 C ATOM 134 O ILE A 9 -3.655 8.157 -2.419 1.00 0.00 O ATOM 135 CB ILE A 9 -0.673 9.345 -3.771 1.00 0.00 C ATOM 136 CG1 ILE A 9 0.267 9.078 -4.966 1.00 0.00 C ATOM 137 CG2 ILE A 9 0.147 9.964 -2.631 1.00 0.00 C ATOM 138 CD1 ILE A 9 1.387 8.077 -4.656 1.00 0.00 C ATOM 0 H ILE A 9 -2.593 8.229 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.691 7.381 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.447 10.056 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.322 8.704 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.712 10.021 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.660 10.855 -2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.518 10.237 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.882 9.241 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.007 7.939 -5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.000 8.458 -3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.951 7.121 -4.366 1.00 0.00 H new ATOM 150 N GLY A 10 -1.967 8.595 -1.008 1.00 0.00 N ATOM 151 CA GLY A 10 -2.829 8.874 0.131 1.00 0.00 C ATOM 152 C GLY A 10 -3.468 7.584 0.654 1.00 0.00 C ATOM 153 O GLY A 10 -2.721 6.670 1.018 1.00 0.00 O ATOM 0 H GLY A 10 -0.971 8.653 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.250 9.347 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.607 9.580 -0.160 1.00 0.00 H new ATOM 157 N PRO A 11 -4.813 7.479 0.710 1.00 0.00 N ATOM 158 CA PRO A 11 -5.516 6.333 1.276 1.00 0.00 C ATOM 159 C PRO A 11 -5.466 5.149 0.305 1.00 0.00 C ATOM 160 O PRO A 11 -6.482 4.686 -0.205 1.00 0.00 O ATOM 161 CB PRO A 11 -6.942 6.821 1.545 1.00 0.00 C ATOM 162 CG PRO A 11 -7.157 7.860 0.446 1.00 0.00 C ATOM 163 CD PRO A 11 -5.771 8.489 0.281 1.00 0.00 C ATOM 0 HA PRO A 11 -5.062 5.972 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.666 6.009 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.039 7.258 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.503 7.401 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.903 8.601 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.595 8.777 -0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.680 9.393 0.883 1.00 0.00 H new ATOM 171 N PHE A 12 -4.251 4.668 0.052 1.00 0.00 N ATOM 172 CA PHE A 12 -3.926 3.600 -0.861 1.00 0.00 C ATOM 173 C PHE A 12 -2.505 3.180 -0.469 1.00 0.00 C ATOM 174 O PHE A 12 -2.349 2.326 0.400 1.00 0.00 O ATOM 175 CB PHE A 12 -4.119 4.108 -2.300 1.00 0.00 C ATOM 176 CG PHE A 12 -4.213 3.064 -3.398 1.00 0.00 C ATOM 177 CD1 PHE A 12 -3.188 2.121 -3.593 1.00 0.00 C ATOM 178 CD2 PHE A 12 -5.285 3.123 -4.313 1.00 0.00 C ATOM 179 CE1 PHE A 12 -3.202 1.295 -4.727 1.00 0.00 C ATOM 180 CE2 PHE A 12 -5.278 2.324 -5.466 1.00 0.00 C ATOM 181 CZ PHE A 12 -4.222 1.426 -5.682 1.00 0.00 C ATOM 0 H PHE A 12 -3.423 5.044 0.513 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.564 2.718 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.028 4.709 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.289 4.774 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.390 2.033 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.116 3.787 -4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.426 0.557 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.081 2.400 -6.184 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.194 0.834 -6.585 1.00 0.00 H new ATOM 191 N THR A 13 -1.463 3.835 -0.994 1.00 0.00 N ATOM 192 CA THR A 13 -0.085 3.477 -0.672 1.00 0.00 C ATOM 193 C THR A 13 0.140 3.548 0.843 1.00 0.00 C ATOM 194 O THR A 13 0.596 2.593 1.476 1.00 0.00 O ATOM 195 CB THR A 13 0.891 4.350 -1.489 1.00 0.00 C ATOM 196 OG1 THR A 13 2.203 3.844 -1.374 1.00 0.00 O ATOM 197 CG2 THR A 13 0.904 5.833 -1.096 1.00 0.00 C ATOM 0 H THR A 13 -1.553 4.616 -1.644 1.00 0.00 H new ATOM 0 HA THR A 13 0.114 2.444 -0.959 1.00 0.00 H new ATOM 0 HB THR A 13 0.529 4.300 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.816 4.402 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.618 6.369 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.091 6.255 -1.237 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.194 5.930 -0.050 1.00 0.00 H new ATOM 205 N GLN A 14 -0.245 4.678 1.439 1.00 0.00 N ATOM 206 CA GLN A 14 -0.015 4.925 2.853 1.00 0.00 C ATOM 207 C GLN A 14 -0.915 4.030 3.694 1.00 0.00 C ATOM 208 O GLN A 14 -0.475 3.500 4.710 1.00 0.00 O ATOM 209 CB GLN A 14 -0.202 6.414 3.171 1.00 0.00 C ATOM 210 CG GLN A 14 1.102 7.028 3.694 1.00 0.00 C ATOM 211 CD GLN A 14 1.071 8.547 3.599 1.00 0.00 C ATOM 212 OE1 GLN A 14 0.604 9.226 4.506 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.564 9.094 2.491 1.00 0.00 N ATOM 0 H GLN A 14 -0.721 5.439 0.955 1.00 0.00 H new ATOM 0 HA GLN A 14 1.015 4.673 3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.525 6.944 2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.990 6.535 3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.258 6.729 4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.945 6.642 3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.945 8.500 1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.561 10.108 2.378 1.00 0.00 H new ATOM 222 N ASN A 15 -2.165 3.852 3.257 1.00 0.00 N ATOM 223 CA ASN A 15 -3.131 3.011 3.954 1.00 0.00 C ATOM 224 C ASN A 15 -2.544 1.624 4.200 1.00 0.00 C ATOM 225 O ASN A 15 -2.548 1.130 5.323 1.00 0.00 O ATOM 226 CB ASN A 15 -4.442 2.917 3.159 1.00 0.00 C ATOM 227 CG ASN A 15 -5.646 2.740 4.080 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.881 3.568 4.952 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.443 1.693 3.889 1.00 0.00 N ATOM 0 H ASN A 15 -2.531 4.288 2.411 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.355 3.466 4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.571 3.819 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.388 2.078 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.269 1.567 4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.229 1.016 3.157 1.00 0.00 H new ATOM 236 N LEU A 16 -2.016 1.009 3.143 1.00 0.00 N ATOM 237 CA LEU A 16 -1.444 -0.328 3.203 1.00 0.00 C ATOM 238 C LEU A 16 -0.091 -0.320 3.909 1.00 0.00 C ATOM 239 O LEU A 16 0.165 -1.208 4.718 1.00 0.00 O ATOM 240 CB LEU A 16 -1.354 -0.892 1.791 1.00 0.00 C ATOM 241 CG LEU A 16 -2.710 -0.854 1.063 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.543 -1.538 -0.285 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.888 -1.416 1.864 1.00 0.00 C ATOM 0 H LEU A 16 -1.975 1.431 2.215 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.091 -0.976 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.621 -0.322 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.995 -1.920 1.834 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.985 0.192 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.492 -1.524 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.789 -1.011 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.228 -2.570 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.799 -1.346 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.695 -2.460 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.010 -0.842 2.783 1.00 0.00 H new ATOM 255 N ALA A 17 0.771 0.668 3.634 1.00 0.00 N ATOM 256 CA ALA A 17 2.046 0.781 4.338 1.00 0.00 C ATOM 257 C ALA A 17 1.832 0.806 5.854 1.00 0.00 C ATOM 258 O ALA A 17 2.453 0.033 6.585 1.00 0.00 O ATOM 259 CB ALA A 17 2.805 2.024 3.870 1.00 0.00 C ATOM 0 H ALA A 17 0.607 1.392 2.935 1.00 0.00 H new ATOM 0 HA ALA A 17 2.649 -0.096 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.753 2.094 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.996 1.952 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.208 2.913 4.073 1.00 0.00 H new ATOM 265 N LYS A 18 0.937 1.681 6.325 1.00 0.00 N ATOM 266 CA LYS A 18 0.570 1.689 7.727 1.00 0.00 C ATOM 267 C LYS A 18 -0.075 0.366 8.099 1.00 0.00 C ATOM 268 O LYS A 18 0.467 -0.288 8.972 1.00 0.00 O ATOM 269 CB LYS A 18 -0.308 2.883 8.122 1.00 0.00 C ATOM 270 CG LYS A 18 0.549 4.030 8.672 1.00 0.00 C ATOM 271 CD LYS A 18 1.198 3.673 10.028 1.00 0.00 C ATOM 272 CE LYS A 18 0.705 4.600 11.145 1.00 0.00 C ATOM 273 NZ LYS A 18 1.458 4.382 12.393 1.00 0.00 N ATOM 0 H LYS A 18 0.463 2.382 5.755 1.00 0.00 H new ATOM 0 HA LYS A 18 1.489 1.811 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.872 3.228 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.035 2.573 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.329 4.277 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.070 4.920 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.967 2.639 10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.282 3.746 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.810 5.639 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.356 4.426 11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.102 5.023 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.337 3.397 12.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.467 4.572 12.227 1.00 0.00 H new ATOM 287 N PHE A 19 -1.184 -0.038 7.469 1.00 0.00 N ATOM 288 CA PHE A 19 -1.891 -1.284 7.784 1.00 0.00 C ATOM 289 C PHE A 19 -0.900 -2.409 8.061 1.00 0.00 C ATOM 290 O PHE A 19 -0.988 -3.065 9.086 1.00 0.00 O ATOM 291 CB PHE A 19 -2.828 -1.676 6.635 1.00 0.00 C ATOM 292 CG PHE A 19 -3.669 -2.936 6.802 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.386 -3.183 7.989 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.844 -3.796 5.699 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.254 -4.288 8.077 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.698 -4.910 5.794 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.419 -5.147 6.975 1.00 0.00 C ATOM 0 H PHE A 19 -1.620 0.497 6.718 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.488 -1.119 8.681 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.506 -0.842 6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.224 -1.793 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.269 -2.522 8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.320 -3.599 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.795 -4.477 8.993 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.799 -5.584 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.097 -5.985 7.037 1.00 0.00 H new ATOM 307 N ALA A 20 0.083 -2.572 7.175 1.00 0.00 N ATOM 308 CA ALA A 20 1.171 -3.504 7.387 1.00 0.00 C ATOM 309 C ALA A 20 1.889 -3.284 8.715 1.00 0.00 C ATOM 310 O ALA A 20 1.812 -4.143 9.590 1.00 0.00 O ATOM 311 CB ALA A 20 2.123 -3.503 6.196 1.00 0.00 C ATOM 0 H ALA A 20 0.140 -2.059 6.295 1.00 0.00 H new ATOM 0 HA ALA A 20 0.736 -4.501 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.933 -4.210 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.581 -3.794 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.537 -2.504 6.062 1.00 0.00 H new ATOM 317 N VAL A 21 2.616 -2.173 8.869 1.00 0.00 N ATOM 318 CA VAL A 21 3.401 -1.975 10.078 1.00 0.00 C ATOM 319 C VAL A 21 2.472 -1.920 11.288 1.00 0.00 C ATOM 320 O VAL A 21 2.614 -2.731 12.195 1.00 0.00 O ATOM 321 CB VAL A 21 4.294 -0.731 9.960 1.00 0.00 C ATOM 322 CG1 VAL A 21 5.125 -0.542 11.238 1.00 0.00 C ATOM 323 CG2 VAL A 21 5.255 -0.903 8.783 1.00 0.00 C ATOM 0 H VAL A 21 2.674 -1.417 8.186 1.00 0.00 H new ATOM 0 HA VAL A 21 4.076 -2.820 10.215 1.00 0.00 H new ATOM 0 HB VAL A 21 3.654 0.139 9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.752 0.344 11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.458 -0.419 12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.756 -1.417 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.889 -0.020 8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.878 -1.783 8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.684 -1.029 7.863 1.00 0.00 H new ATOM 333 N ASP A 22 1.522 -0.983 11.283 1.00 0.00 N ATOM 334 CA ASP A 22 0.478 -0.816 12.284 1.00 0.00 C ATOM 335 C ASP A 22 -0.096 -2.159 12.707 1.00 0.00 C ATOM 336 O ASP A 22 0.107 -2.549 13.848 1.00 0.00 O ATOM 337 CB ASP A 22 -0.651 0.088 11.767 1.00 0.00 C ATOM 338 CG ASP A 22 -1.821 0.138 12.744 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.585 0.567 13.893 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.927 -0.266 12.323 1.00 0.00 O ATOM 0 H ASP A 22 1.461 -0.287 10.540 1.00 0.00 H new ATOM 0 HA ASP A 22 0.937 -0.340 13.151 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.267 1.095 11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.998 -0.279 10.801 1.00 0.00 H new ATOM 345 N GLU A 23 -0.819 -2.863 11.830 1.00 0.00 N ATOM 346 CA GLU A 23 -1.445 -4.104 12.232 1.00 0.00 C ATOM 347 C GLU A 23 -0.409 -5.113 12.718 1.00 0.00 C ATOM 348 O GLU A 23 -0.590 -5.715 13.778 1.00 0.00 O ATOM 349 CB GLU A 23 -2.245 -4.680 11.067 1.00 0.00 C ATOM 350 CG GLU A 23 -3.298 -5.659 11.586 1.00 0.00 C ATOM 351 CD GLU A 23 -3.313 -6.980 10.823 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.206 -7.517 10.597 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.422 -7.410 10.446 1.00 0.00 O ATOM 0 H GLU A 23 -0.977 -2.593 10.859 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.120 -3.896 13.062 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.728 -3.874 10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.576 -5.188 10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.112 -5.858 12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.282 -5.195 11.517 1.00 0.00 H new ATOM 360 N GLU A 24 0.674 -5.299 11.951 1.00 0.00 N ATOM 361 CA GLU A 24 1.693 -6.266 12.331 1.00 0.00 C ATOM 362 C GLU A 24 2.233 -5.949 13.738 1.00 0.00 C ATOM 363 O GLU A 24 2.511 -6.869 14.502 1.00 0.00 O ATOM 364 CB GLU A 24 2.784 -6.449 11.242 1.00 0.00 C ATOM 365 CG GLU A 24 3.585 -7.728 11.492 1.00 0.00 C ATOM 366 CD GLU A 24 2.703 -8.970 11.420 1.00 0.00 C ATOM 367 OE1 GLU A 24 2.242 -9.269 10.297 1.00 0.00 O ATOM 368 OE2 GLU A 24 2.511 -9.597 12.487 1.00 0.00 O ATOM 0 H GLU A 24 0.859 -4.799 11.081 1.00 0.00 H new ATOM 0 HA GLU A 24 1.231 -7.251 12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.319 -6.491 10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.453 -5.589 11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.384 -7.806 10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.059 -7.675 12.472 1.00 0.00 H new ATOM 375 N ASN A 25 2.333 -4.668 14.109 1.00 0.00 N ATOM 376 CA ASN A 25 2.770 -4.226 15.432 1.00 0.00 C ATOM 377 C ASN A 25 1.680 -4.422 16.483 1.00 0.00 C ATOM 378 O ASN A 25 1.949 -4.939 17.562 1.00 0.00 O ATOM 379 CB ASN A 25 3.185 -2.748 15.400 1.00 0.00 C ATOM 380 CG ASN A 25 4.399 -2.492 16.282 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.294 -1.913 17.356 1.00 0.00 O ATOM 382 ND2 ASN A 25 5.573 -2.907 15.813 1.00 0.00 N ATOM 0 H ASN A 25 2.107 -3.895 13.483 1.00 0.00 H new ATOM 0 HA ASN A 25 3.628 -4.840 15.706 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.410 -2.454 14.375 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.353 -2.128 15.734 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.423 -2.746 16.353 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.622 -3.386 14.914 1.00 0.00 H new ATOM 389 N LYS A 26 0.456 -3.984 16.169 1.00 0.00 N ATOM 390 CA LYS A 26 -0.702 -4.051 17.051 1.00 0.00 C ATOM 391 C LYS A 26 -0.885 -5.491 17.512 1.00 0.00 C ATOM 392 O LYS A 26 -1.101 -5.756 18.692 1.00 0.00 O ATOM 393 CB LYS A 26 -1.940 -3.508 16.307 1.00 0.00 C ATOM 394 CG LYS A 26 -3.240 -3.557 17.128 1.00 0.00 C ATOM 395 CD LYS A 26 -4.005 -4.876 16.923 1.00 0.00 C ATOM 396 CE LYS A 26 -5.061 -5.093 18.014 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.441 -6.515 18.109 1.00 0.00 N ATOM 0 H LYS A 26 0.243 -3.561 15.265 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.558 -3.433 17.937 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.749 -2.476 16.011 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.080 -4.082 15.391 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.005 -3.435 18.185 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.879 -2.720 16.845 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.487 -4.869 15.946 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.302 -5.709 16.926 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.672 -4.752 18.974 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.943 -4.491 17.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.156 -6.634 18.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.833 -6.831 17.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.602 -7.084 18.341 1.00 0.00 H new ATOM 411 N ILE A 27 -0.830 -6.418 16.555 1.00 0.00 N ATOM 412 CA ILE A 27 -0.934 -7.836 16.830 1.00 0.00 C ATOM 413 C ILE A 27 0.383 -8.324 17.439 1.00 0.00 C ATOM 414 O ILE A 27 0.382 -9.038 18.439 1.00 0.00 O ATOM 415 CB ILE A 27 -1.305 -8.577 15.534 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.678 -8.101 15.021 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.348 -10.085 15.787 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.065 -8.764 13.698 1.00 0.00 C ATOM 0 H ILE A 27 -0.711 -6.197 15.566 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.723 -8.040 17.554 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.548 -8.359 14.780 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.439 -8.319 15.770 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.660 -7.019 14.891 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.611 -10.601 14.864 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.370 -10.425 16.126 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.094 -10.305 16.551 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.040 -8.396 13.378 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.320 -8.524 12.939 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.111 -9.845 13.832 1.00 0.00 H new ATOM 430 N GLY A 28 1.510 -7.977 16.810 1.00 0.00 N ATOM 431 CA GLY A 28 2.828 -8.406 17.246 1.00 0.00 C ATOM 432 C GLY A 28 3.031 -9.907 17.039 1.00 0.00 C ATOM 433 O GLY A 28 3.805 -10.522 17.769 1.00 0.00 O ATOM 0 H GLY A 28 1.526 -7.386 15.979 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.591 -7.856 16.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.960 -8.163 18.300 1.00 0.00 H new ATOM 437 N GLN A 29 2.351 -10.507 16.052 1.00 0.00 N ATOM 438 CA GLN A 29 2.497 -11.935 15.775 1.00 0.00 C ATOM 439 C GLN A 29 3.839 -12.189 15.083 1.00 0.00 C ATOM 440 O GLN A 29 4.647 -12.973 15.569 1.00 0.00 O ATOM 441 CB GLN A 29 1.331 -12.476 14.920 1.00 0.00 C ATOM 442 CG GLN A 29 0.557 -13.627 15.590 1.00 0.00 C ATOM 443 CD GLN A 29 -0.711 -13.171 16.306 1.00 0.00 C ATOM 444 OE1 GLN A 29 -1.802 -13.266 15.755 1.00 0.00 O ATOM 445 NE2 GLN A 29 -0.598 -12.677 17.535 1.00 0.00 N ATOM 0 H GLN A 29 1.697 -10.024 15.436 1.00 0.00 H new ATOM 0 HA GLN A 29 2.472 -12.470 16.724 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.640 -11.661 14.706 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.723 -12.821 13.963 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.292 -14.365 14.833 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.210 -14.125 16.306 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.320 -12.607 17.974 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.429 -12.368 18.039 1.00 0.00 H new ATOM 454 N TYR A 30 4.043 -11.557 13.921 1.00 0.00 N ATOM 455 CA TYR A 30 5.233 -11.739 13.104 1.00 0.00 C ATOM 456 C TYR A 30 6.190 -10.575 13.376 1.00 0.00 C ATOM 457 O TYR A 30 7.041 -10.686 14.254 1.00 0.00 O ATOM 458 CB TYR A 30 4.812 -11.938 11.636 1.00 0.00 C ATOM 459 CG TYR A 30 5.869 -11.660 10.589 1.00 0.00 C ATOM 460 CD1 TYR A 30 7.125 -12.288 10.685 1.00 0.00 C ATOM 461 CD2 TYR A 30 5.626 -10.726 9.569 1.00 0.00 C ATOM 462 CE1 TYR A 30 8.145 -11.966 9.765 1.00 0.00 C ATOM 463 CE2 TYR A 30 6.656 -10.371 8.689 1.00 0.00 C ATOM 464 CZ TYR A 30 7.909 -10.998 8.775 1.00 0.00 C ATOM 465 OH TYR A 30 8.876 -10.716 7.856 1.00 0.00 O ATOM 0 H TYR A 30 3.374 -10.898 13.523 1.00 0.00 H new ATOM 0 HA TYR A 30 5.789 -12.641 13.359 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.473 -12.967 11.514 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.955 -11.294 11.436 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.308 -13.016 11.462 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.647 -10.282 9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.103 -12.462 9.822 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.485 -9.611 7.941 1.00 0.00 H new ATOM 0 HH TYR A 30 8.483 -10.215 7.111 1.00 0.00 H new ATOM 475 N GLY A 31 6.042 -9.452 12.666 1.00 0.00 N ATOM 476 CA GLY A 31 6.820 -8.244 12.931 1.00 0.00 C ATOM 477 C GLY A 31 7.384 -7.670 11.637 1.00 0.00 C ATOM 478 O GLY A 31 8.253 -8.276 11.013 1.00 0.00 O ATOM 0 H GLY A 31 5.381 -9.358 11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.191 -7.501 13.420 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.635 -8.474 13.618 1.00 0.00 H new ATOM 482 N ARG A 32 6.919 -6.483 11.239 1.00 0.00 N ATOM 483 CA ARG A 32 7.349 -5.846 10.007 1.00 0.00 C ATOM 484 C ARG A 32 8.629 -5.050 10.263 1.00 0.00 C ATOM 485 O ARG A 32 8.679 -3.856 9.976 1.00 0.00 O ATOM 486 CB ARG A 32 6.204 -5.016 9.387 1.00 0.00 C ATOM 487 CG ARG A 32 6.624 -4.352 8.061 1.00 0.00 C ATOM 488 CD ARG A 32 5.461 -4.029 7.109 1.00 0.00 C ATOM 489 NE ARG A 32 5.694 -2.804 6.334 1.00 0.00 N ATOM 490 CZ ARG A 32 5.088 -2.477 5.183 1.00 0.00 C ATOM 491 NH1 ARG A 32 4.531 -3.408 4.397 1.00 0.00 N ATOM 492 NH2 ARG A 32 5.038 -1.188 4.828 1.00 0.00 N ATOM 0 H ARG A 32 6.234 -5.942 11.767 1.00 0.00 H new ATOM 0 HA ARG A 32 7.593 -6.600 9.259 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.342 -5.661 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.890 -4.248 10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.159 -3.429 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.325 -5.010 7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.312 -4.865 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.542 -3.921 7.686 1.00 0.00 H new ATOM 0 HE ARG A 32 6.377 -2.143 6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.562 -4.390 4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.076 -3.134 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.456 -0.477 5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.582 -0.916 3.957 1.00 0.00 H new ATOM 506 N LEU A 33 9.681 -5.719 10.754 1.00 0.00 N ATOM 507 CA LEU A 33 11.007 -5.130 10.823 1.00 0.00 C ATOM 508 C LEU A 33 10.921 -3.729 11.460 1.00 0.00 C ATOM 509 O LEU A 33 10.328 -3.589 12.528 1.00 0.00 O ATOM 510 CB LEU A 33 11.601 -5.132 9.408 1.00 0.00 C ATOM 511 CG LEU A 33 11.623 -6.470 8.632 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.325 -7.594 9.389 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.278 -6.981 8.094 1.00 0.00 C ATOM 0 H LEU A 33 9.629 -6.674 11.109 1.00 0.00 H new ATOM 0 HA LEU A 33 11.675 -5.707 11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.045 -4.409 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.626 -4.768 9.476 1.00 0.00 H new ATOM 0 HG LEU A 33 12.206 -6.193 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.305 -8.504 8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.359 -7.311 9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.813 -7.771 10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.430 -7.925 7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.588 -7.133 8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.860 -6.248 7.405 1.00 0.00 H new ATOM 525 N THR A 34 11.483 -2.693 10.824 1.00 0.00 N ATOM 526 CA THR A 34 11.221 -1.307 11.213 1.00 0.00 C ATOM 527 C THR A 34 11.297 -0.417 9.970 1.00 0.00 C ATOM 528 O THR A 34 12.207 -0.629 9.183 1.00 0.00 O ATOM 529 CB THR A 34 12.210 -0.882 12.309 1.00 0.00 C ATOM 530 OG1 THR A 34 11.759 0.314 12.910 1.00 0.00 O ATOM 531 CG2 THR A 34 13.642 -0.682 11.798 1.00 0.00 C ATOM 0 H THR A 34 12.123 -2.792 10.036 1.00 0.00 H new ATOM 0 HA THR A 34 10.220 -1.205 11.631 1.00 0.00 H new ATOM 0 HB THR A 34 12.244 -1.697 13.032 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.388 0.585 13.611 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.285 -0.383 12.626 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.010 -1.615 11.372 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.650 0.094 11.033 1.00 0.00 H new ATOM 539 N PHE A 35 10.355 0.521 9.776 1.00 0.00 N ATOM 540 CA PHE A 35 10.235 1.452 8.639 1.00 0.00 C ATOM 541 C PHE A 35 11.556 1.694 7.876 1.00 0.00 C ATOM 542 O PHE A 35 12.325 2.580 8.240 1.00 0.00 O ATOM 543 CB PHE A 35 9.625 2.789 9.128 1.00 0.00 C ATOM 544 CG PHE A 35 8.227 3.106 8.624 1.00 0.00 C ATOM 545 CD1 PHE A 35 7.131 2.346 9.067 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.002 4.226 7.797 1.00 0.00 C ATOM 547 CE1 PHE A 35 5.826 2.664 8.645 1.00 0.00 C ATOM 548 CE2 PHE A 35 6.697 4.554 7.388 1.00 0.00 C ATOM 549 CZ PHE A 35 5.610 3.763 7.797 1.00 0.00 C ATOM 0 H PHE A 35 9.606 0.659 10.455 1.00 0.00 H new ATOM 0 HA PHE A 35 9.572 0.978 7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.603 2.779 10.218 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.290 3.600 8.830 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.291 1.513 9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.835 4.834 7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.991 2.063 8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.530 5.415 6.758 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.611 3.999 7.460 1.00 0.00 H new ATOM 559 N ASN A 36 11.809 0.913 6.816 1.00 0.00 N ATOM 560 CA ASN A 36 13.044 0.960 6.037 1.00 0.00 C ATOM 561 C ASN A 36 12.834 1.861 4.816 1.00 0.00 C ATOM 562 O ASN A 36 13.203 3.031 4.852 1.00 0.00 O ATOM 563 CB ASN A 36 13.545 -0.451 5.654 1.00 0.00 C ATOM 564 CG ASN A 36 13.271 -1.516 6.710 1.00 0.00 C ATOM 565 OD1 ASN A 36 12.019 -1.967 6.797 1.00 0.00 O flip ATOM 566 ND2 ASN A 36 14.165 -1.959 7.425 1.00 0.00 N flip ATOM 0 H ASN A 36 11.145 0.219 6.474 1.00 0.00 H new ATOM 0 HA ASN A 36 13.835 1.389 6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.072 -0.751 4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.618 -0.406 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.114 -1.596 7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.958 -2.690 8.106 1.00 0.00 H new ATOM 573 N LYS A 37 12.227 1.338 3.740 1.00 0.00 N ATOM 574 CA LYS A 37 11.900 2.085 2.535 1.00 0.00 C ATOM 575 C LYS A 37 10.909 1.235 1.733 1.00 0.00 C ATOM 576 O LYS A 37 10.751 0.046 2.001 1.00 0.00 O ATOM 577 CB LYS A 37 13.185 2.408 1.742 1.00 0.00 C ATOM 578 CG LYS A 37 12.924 3.378 0.579 1.00 0.00 C ATOM 579 CD LYS A 37 14.196 4.061 0.057 1.00 0.00 C ATOM 580 CE LYS A 37 15.176 3.086 -0.614 1.00 0.00 C ATOM 581 NZ LYS A 37 16.367 2.841 0.219 1.00 0.00 N ATOM 0 H LYS A 37 11.947 0.359 3.691 1.00 0.00 H new ATOM 0 HA LYS A 37 11.441 3.046 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.925 2.841 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.611 1.483 1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.451 2.834 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.218 4.142 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.917 4.835 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.699 4.559 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.670 2.141 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.485 3.489 -1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.002 2.178 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.865 3.739 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.075 2.433 1.130 1.00 0.00 H new ATOM 595 N VAL A 38 10.230 1.830 0.755 1.00 0.00 N ATOM 596 CA VAL A 38 9.365 1.139 -0.181 1.00 0.00 C ATOM 597 C VAL A 38 9.851 1.476 -1.586 1.00 0.00 C ATOM 598 O VAL A 38 10.147 2.639 -1.858 1.00 0.00 O ATOM 599 CB VAL A 38 7.908 1.534 0.111 1.00 0.00 C ATOM 600 CG1 VAL A 38 7.659 3.050 0.099 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.911 0.855 -0.834 1.00 0.00 C ATOM 0 H VAL A 38 10.272 2.836 0.592 1.00 0.00 H new ATOM 0 HA VAL A 38 9.402 0.054 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 38 7.740 1.176 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.609 3.248 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.280 3.527 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.911 3.452 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.898 1.170 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.134 1.138 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.991 -0.227 -0.730 1.00 0.00 H new ATOM 611 N ILE A 39 10.001 0.470 -2.453 1.00 0.00 N ATOM 612 CA ILE A 39 10.369 0.736 -3.839 1.00 0.00 C ATOM 613 C ILE A 39 9.148 1.340 -4.536 1.00 0.00 C ATOM 614 O ILE A 39 8.026 1.167 -4.061 1.00 0.00 O ATOM 615 CB ILE A 39 10.896 -0.537 -4.534 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.766 -1.497 -4.928 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.900 -1.267 -3.628 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.268 -1.325 -6.365 1.00 0.00 C ATOM 0 H ILE A 39 9.875 -0.516 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 39 11.193 1.448 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 39 11.392 -0.215 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.113 -2.522 -4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.928 -1.354 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.262 -2.162 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.741 -0.608 -3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.411 -1.549 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.470 -2.041 -6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.888 -0.312 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.091 -1.499 -7.058 1.00 0.00 H new ATOM 630 N ARG A 40 9.340 2.034 -5.657 1.00 0.00 N ATOM 631 CA ARG A 40 8.243 2.563 -6.445 1.00 0.00 C ATOM 632 C ARG A 40 8.684 2.666 -7.910 1.00 0.00 C ATOM 633 O ARG A 40 9.886 2.640 -8.171 1.00 0.00 O ATOM 634 CB ARG A 40 7.802 3.928 -5.880 1.00 0.00 C ATOM 635 CG ARG A 40 6.516 3.805 -5.045 1.00 0.00 C ATOM 636 CD ARG A 40 5.878 5.176 -4.787 1.00 0.00 C ATOM 637 NE ARG A 40 6.249 5.708 -3.470 1.00 0.00 N ATOM 638 CZ ARG A 40 5.920 6.928 -3.027 1.00 0.00 C ATOM 639 NH1 ARG A 40 5.319 7.806 -3.839 1.00 0.00 N ATOM 640 NH2 ARG A 40 6.193 7.263 -1.762 1.00 0.00 N ATOM 0 H ARG A 40 10.263 2.242 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 40 7.383 1.896 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.599 4.342 -5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.639 4.627 -6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.804 3.164 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.744 3.324 -4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.191 5.875 -5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.793 5.091 -4.853 1.00 0.00 H new ATOM 0 HE ARG A 40 6.794 5.108 -2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.108 7.548 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.072 8.733 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.648 6.592 -1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.946 8.190 -1.415 1.00 0.00 H new ATOM 654 N PRO A 41 7.739 2.804 -8.858 1.00 0.00 N ATOM 655 CA PRO A 41 6.303 2.746 -8.636 1.00 0.00 C ATOM 656 C PRO A 41 5.854 1.301 -8.379 1.00 0.00 C ATOM 657 O PRO A 41 6.588 0.355 -8.649 1.00 0.00 O ATOM 658 CB PRO A 41 5.670 3.359 -9.885 1.00 0.00 C ATOM 659 CG PRO A 41 6.690 3.085 -10.990 1.00 0.00 C ATOM 660 CD PRO A 41 8.037 3.001 -10.266 1.00 0.00 C ATOM 0 HA PRO A 41 5.993 3.299 -7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.706 2.902 -10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.495 4.427 -9.760 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.465 2.157 -11.515 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.690 3.881 -11.735 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.635 2.177 -10.655 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.615 3.913 -10.416 1.00 0.00 H new ATOM 668 N CYS A 42 4.659 1.154 -7.804 1.00 0.00 N ATOM 669 CA CYS A 42 4.038 -0.124 -7.453 1.00 0.00 C ATOM 670 C CYS A 42 2.844 -0.322 -8.393 1.00 0.00 C ATOM 671 O CYS A 42 2.672 0.478 -9.316 1.00 0.00 O ATOM 672 CB CYS A 42 3.691 -0.099 -5.952 1.00 0.00 C ATOM 673 SG CYS A 42 5.233 -0.260 -5.010 1.00 0.00 S ATOM 0 H CYS A 42 4.075 1.954 -7.561 1.00 0.00 H new ATOM 0 HA CYS A 42 4.694 -0.984 -7.590 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.184 0.831 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.009 -0.913 -5.706 1.00 0.00 H new ATOM 0 HG CYS A 42 5.958 0.806 -5.178 1.00 0.00 H new ATOM 679 N MET A 43 2.029 -1.372 -8.232 1.00 0.00 N ATOM 680 CA MET A 43 0.966 -1.643 -9.199 1.00 0.00 C ATOM 681 C MET A 43 -0.145 -2.480 -8.553 1.00 0.00 C ATOM 682 O MET A 43 0.138 -3.384 -7.772 1.00 0.00 O ATOM 683 CB MET A 43 1.573 -2.332 -10.437 1.00 0.00 C ATOM 684 CG MET A 43 0.640 -2.260 -11.650 1.00 0.00 C ATOM 685 SD MET A 43 1.128 -3.289 -13.063 1.00 0.00 S ATOM 686 CE MET A 43 2.198 -2.158 -13.976 1.00 0.00 C ATOM 0 H MET A 43 2.085 -2.033 -7.458 1.00 0.00 H new ATOM 0 HA MET A 43 0.507 -0.709 -9.522 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.525 -1.861 -10.683 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.784 -3.376 -10.204 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.361 -2.554 -11.336 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.579 -1.223 -11.980 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.573 -2.654 -14.871 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.631 -1.272 -14.263 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.038 -1.863 -13.346 1.00 0.00 H new ATOM 696 N LYS A 44 -1.410 -2.179 -8.859 1.00 0.00 N ATOM 697 CA LYS A 44 -2.558 -2.895 -8.306 1.00 0.00 C ATOM 698 C LYS A 44 -3.292 -3.685 -9.387 1.00 0.00 C ATOM 699 O LYS A 44 -3.068 -3.438 -10.570 1.00 0.00 O ATOM 700 CB LYS A 44 -3.485 -1.908 -7.584 1.00 0.00 C ATOM 701 CG LYS A 44 -4.558 -1.228 -8.454 1.00 0.00 C ATOM 702 CD LYS A 44 -5.957 -1.555 -7.895 1.00 0.00 C ATOM 703 CE LYS A 44 -7.038 -1.215 -8.928 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.075 0.226 -9.228 1.00 0.00 N ATOM 0 H LYS A 44 -1.665 -1.428 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.204 -3.624 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.985 -2.437 -6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.871 -1.132 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.402 -0.149 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.477 -1.572 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.014 -2.612 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.130 -0.991 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.852 -1.772 -9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.011 -1.533 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.862 0.425 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.210 0.761 -8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.179 0.511 -9.672 1.00 0.00 H new ATOM 718 N LYS A 45 -4.221 -4.561 -8.992 1.00 0.00 N ATOM 719 CA LYS A 45 -5.131 -5.228 -9.911 1.00 0.00 C ATOM 720 C LYS A 45 -6.359 -5.758 -9.161 1.00 0.00 C ATOM 721 O LYS A 45 -6.599 -5.377 -8.016 1.00 0.00 O ATOM 722 CB LYS A 45 -4.382 -6.323 -10.681 1.00 0.00 C ATOM 723 CG LYS A 45 -4.108 -7.597 -9.857 1.00 0.00 C ATOM 724 CD LYS A 45 -4.836 -8.815 -10.444 1.00 0.00 C ATOM 725 CE LYS A 45 -3.905 -10.019 -10.650 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.497 -11.008 -11.570 1.00 0.00 N ATOM 0 H LYS A 45 -4.359 -4.825 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.503 -4.514 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.961 -6.592 -11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.433 -5.920 -11.033 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.036 -7.791 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.429 -7.441 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.651 -9.101 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.284 -8.540 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.949 -9.677 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.701 -10.491 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.843 -11.808 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.397 -11.351 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.669 -10.563 -12.494 1.00 0.00 H new ATOM 740 N THR A 46 -7.121 -6.656 -9.790 1.00 0.00 N ATOM 741 CA THR A 46 -8.308 -7.270 -9.212 1.00 0.00 C ATOM 742 C THR A 46 -8.129 -8.789 -9.199 1.00 0.00 C ATOM 743 O THR A 46 -8.014 -9.402 -10.260 1.00 0.00 O ATOM 744 CB THR A 46 -9.532 -6.783 -10.002 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.692 -6.880 -9.216 1.00 0.00 O ATOM 746 CG2 THR A 46 -9.762 -7.491 -11.343 1.00 0.00 C ATOM 0 H THR A 46 -6.921 -6.980 -10.736 1.00 0.00 H new ATOM 0 HA THR A 46 -8.464 -6.977 -8.174 1.00 0.00 H new ATOM 0 HB THR A 46 -9.313 -5.744 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.461 -7.243 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.648 -7.078 -11.825 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.895 -7.341 -11.987 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.906 -8.558 -11.171 1.00 0.00 H new ATOM 754 N ILE A 47 -7.991 -9.418 -8.026 1.00 0.00 N ATOM 755 CA ILE A 47 -7.858 -10.874 -8.010 1.00 0.00 C ATOM 756 C ILE A 47 -9.095 -11.592 -8.575 1.00 0.00 C ATOM 757 O ILE A 47 -10.238 -11.150 -8.425 1.00 0.00 O ATOM 758 CB ILE A 47 -7.467 -11.389 -6.617 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.036 -12.866 -6.675 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.649 -11.212 -5.656 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.302 -13.312 -5.406 1.00 0.00 C ATOM 0 H ILE A 47 -7.969 -8.963 -7.113 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.039 -11.121 -8.686 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.618 -10.810 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.916 -13.493 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.388 -13.019 -7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.372 -11.577 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.911 -10.156 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.505 -11.777 -6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.020 -14.361 -5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.406 -12.706 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.957 -13.187 -4.544 1.00 0.00 H new ATOM 773 N TYR A 48 -8.828 -12.730 -9.222 1.00 0.00 N ATOM 774 CA TYR A 48 -9.805 -13.604 -9.850 1.00 0.00 C ATOM 775 C TYR A 48 -10.186 -14.735 -8.891 1.00 0.00 C ATOM 776 O TYR A 48 -9.713 -14.780 -7.759 1.00 0.00 O ATOM 777 CB TYR A 48 -9.175 -14.162 -11.134 1.00 0.00 C ATOM 778 CG TYR A 48 -8.616 -13.147 -12.118 1.00 0.00 C ATOM 779 CD1 TYR A 48 -9.123 -11.838 -12.176 1.00 0.00 C ATOM 780 CD2 TYR A 48 -7.573 -13.524 -12.980 1.00 0.00 C ATOM 781 CE1 TYR A 48 -8.607 -10.920 -13.107 1.00 0.00 C ATOM 782 CE2 TYR A 48 -7.090 -12.623 -13.945 1.00 0.00 C ATOM 783 CZ TYR A 48 -7.614 -11.322 -14.012 1.00 0.00 C ATOM 784 OH TYR A 48 -7.123 -10.431 -14.916 1.00 0.00 O ATOM 0 H TYR A 48 -7.875 -13.078 -9.323 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.716 -13.057 -10.093 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.370 -14.840 -10.851 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.927 -14.758 -11.651 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.912 -11.536 -11.503 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.140 -14.510 -12.901 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.975 -9.905 -13.125 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.317 -12.931 -14.634 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.441 -10.867 -15.468 1.00 0.00 H new ATOM 923 N LYS A 57 -13.094 -11.391 -7.166 1.00 0.00 N ATOM 924 CA LYS A 57 -13.253 -11.663 -5.743 1.00 0.00 C ATOM 925 C LYS A 57 -12.965 -10.399 -4.919 1.00 0.00 C ATOM 926 O LYS A 57 -13.584 -10.183 -3.877 1.00 0.00 O ATOM 927 CB LYS A 57 -12.401 -12.883 -5.339 1.00 0.00 C ATOM 928 CG LYS A 57 -13.031 -13.732 -4.220 1.00 0.00 C ATOM 929 CD LYS A 57 -12.402 -13.492 -2.845 1.00 0.00 C ATOM 930 CE LYS A 57 -13.181 -14.292 -1.791 1.00 0.00 C ATOM 931 NZ LYS A 57 -12.461 -14.360 -0.510 1.00 0.00 N ATOM 0 HA LYS A 57 -14.288 -11.929 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.243 -13.512 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.420 -12.538 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.098 -13.514 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.934 -14.787 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.356 -13.797 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.423 -12.430 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.157 -13.832 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.360 -15.302 -2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.020 -14.908 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.540 -14.822 -0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.313 -13.398 -0.144 1.00 0.00 H new ATOM 945 N GLY A 58 -12.053 -9.541 -5.390 1.00 0.00 N ATOM 946 CA GLY A 58 -11.723 -8.305 -4.700 1.00 0.00 C ATOM 947 C GLY A 58 -10.558 -7.567 -5.356 1.00 0.00 C ATOM 948 O GLY A 58 -9.954 -8.071 -6.300 1.00 0.00 O ATOM 0 H GLY A 58 -11.531 -9.689 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.598 -7.656 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.472 -8.527 -3.663 1.00 0.00 H new ATOM 952 N TYR A 59 -10.245 -6.373 -4.842 1.00 0.00 N ATOM 953 CA TYR A 59 -9.090 -5.592 -5.273 1.00 0.00 C ATOM 954 C TYR A 59 -7.841 -6.056 -4.551 1.00 0.00 C ATOM 955 O TYR A 59 -7.891 -6.243 -3.341 1.00 0.00 O ATOM 956 CB TYR A 59 -9.310 -4.086 -5.023 1.00 0.00 C ATOM 957 CG TYR A 59 -10.133 -3.476 -6.137 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.586 -3.489 -7.427 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.481 -3.113 -5.949 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.387 -3.188 -8.539 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.276 -2.763 -7.061 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.734 -2.827 -8.358 1.00 0.00 C ATOM 963 OH TYR A 59 -12.503 -2.525 -9.443 1.00 0.00 O ATOM 0 H TYR A 59 -10.793 -5.921 -4.110 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.964 -5.747 -6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.816 -3.940 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.348 -3.579 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.543 -3.732 -7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.905 -3.103 -4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.969 -3.234 -9.534 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.299 -2.447 -6.917 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.409 -2.297 -9.148 1.00 0.00 H new ATOM 973 N GLU A 60 -6.736 -6.209 -5.283 1.00 0.00 N ATOM 974 CA GLU A 60 -5.444 -6.553 -4.724 1.00 0.00 C ATOM 975 C GLU A 60 -4.451 -5.448 -5.083 1.00 0.00 C ATOM 976 O GLU A 60 -4.477 -4.926 -6.197 1.00 0.00 O ATOM 977 CB GLU A 60 -4.974 -7.903 -5.274 1.00 0.00 C ATOM 978 CG GLU A 60 -4.958 -8.998 -4.197 1.00 0.00 C ATOM 979 CD GLU A 60 -6.307 -9.637 -3.898 1.00 0.00 C ATOM 980 OE1 GLU A 60 -7.338 -8.949 -4.039 1.00 0.00 O ATOM 981 OE2 GLU A 60 -6.275 -10.821 -3.501 1.00 0.00 O ATOM 0 H GLU A 60 -6.722 -6.094 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.516 -6.640 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.629 -8.208 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.974 -7.794 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.265 -9.780 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.564 -8.571 -3.274 1.00 0.00 H new ATOM 988 N TYR A 61 -3.569 -5.106 -4.149 1.00 0.00 N ATOM 989 CA TYR A 61 -2.630 -4.003 -4.284 1.00 0.00 C ATOM 990 C TYR A 61 -1.205 -4.512 -4.092 1.00 0.00 C ATOM 991 O TYR A 61 -0.769 -4.641 -2.953 1.00 0.00 O ATOM 992 CB TYR A 61 -2.966 -2.959 -3.218 1.00 0.00 C ATOM 993 CG TYR A 61 -4.394 -2.460 -3.249 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.802 -1.556 -4.241 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.251 -2.738 -2.173 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.076 -0.971 -4.183 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.456 -2.032 -2.035 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.910 -1.213 -3.086 1.00 0.00 C ATOM 999 OH TYR A 61 -8.135 -0.617 -3.060 1.00 0.00 O ATOM 0 H TYR A 61 -3.487 -5.599 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.705 -3.559 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.766 -3.386 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.296 -2.108 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.133 -1.309 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.983 -3.495 -1.451 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.413 -0.333 -4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.033 -2.117 -1.126 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.791 -1.235 -2.676 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.466 -4.768 -5.177 1.00 0.00 N ATOM 1010 CA GLN A 62 0.870 -5.330 -5.076 1.00 0.00 C ATOM 1011 C GLN A 62 1.876 -4.206 -4.857 1.00 0.00 C ATOM 1012 O GLN A 62 2.093 -3.369 -5.736 1.00 0.00 O ATOM 1013 CB GLN A 62 1.205 -6.163 -6.317 1.00 0.00 C ATOM 1014 CG GLN A 62 2.526 -6.923 -6.141 1.00 0.00 C ATOM 1015 CD GLN A 62 2.493 -8.260 -6.872 1.00 0.00 C ATOM 1016 OE1 GLN A 62 2.185 -9.284 -6.274 1.00 0.00 O ATOM 1017 NE2 GLN A 62 2.801 -8.271 -8.165 1.00 0.00 N ATOM 0 H GLN A 62 -0.778 -4.592 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 62 0.917 -6.004 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.399 -6.871 -6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.272 -5.511 -7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.350 -6.318 -6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.714 -7.090 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.054 -7.403 -8.636 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.785 -9.148 -8.686 1.00 0.00 H new ATOM 1026 N LEU A 63 2.498 -4.195 -3.680 1.00 0.00 N ATOM 1027 CA LEU A 63 3.475 -3.192 -3.317 1.00 0.00 C ATOM 1028 C LEU A 63 4.693 -3.865 -2.693 1.00 0.00 C ATOM 1029 O LEU A 63 4.603 -4.829 -1.937 1.00 0.00 O ATOM 1030 CB LEU A 63 2.831 -2.071 -2.487 1.00 0.00 C ATOM 1031 CG LEU A 63 1.908 -2.527 -1.344 1.00 0.00 C ATOM 1032 CD1 LEU A 63 2.660 -2.708 -0.023 1.00 0.00 C ATOM 1033 CD2 LEU A 63 0.800 -1.495 -1.149 1.00 0.00 C ATOM 0 H LEU A 63 2.331 -4.890 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 63 3.850 -2.679 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.626 -1.457 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.257 -1.432 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 63 1.494 -3.495 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.963 -3.030 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.438 -3.461 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.115 -1.762 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.144 -1.815 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.241 -0.530 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.223 -1.402 -2.069 1.00 0.00 H new ATOM 1045 N TYR A 64 5.861 -3.388 -3.108 1.00 0.00 N ATOM 1046 CA TYR A 64 7.133 -3.995 -2.806 1.00 0.00 C ATOM 1047 C TYR A 64 7.818 -3.146 -1.741 1.00 0.00 C ATOM 1048 O TYR A 64 8.622 -2.257 -2.031 1.00 0.00 O ATOM 1049 CB TYR A 64 7.911 -4.084 -4.113 1.00 0.00 C ATOM 1050 CG TYR A 64 7.616 -5.322 -4.933 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.309 -6.515 -4.657 1.00 0.00 C ATOM 1052 CD2 TYR A 64 6.739 -5.260 -6.032 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.191 -7.606 -5.532 1.00 0.00 C ATOM 1054 CE2 TYR A 64 6.578 -6.378 -6.869 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.332 -7.539 -6.639 1.00 0.00 C ATOM 1056 OH TYR A 64 7.208 -8.612 -7.469 1.00 0.00 O ATOM 0 H TYR A 64 5.941 -2.546 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 64 7.048 -5.004 -2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.689 -3.203 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.977 -4.057 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.929 -6.591 -3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.189 -4.352 -6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.765 -8.503 -5.352 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.875 -6.343 -7.688 1.00 0.00 H new ATOM 0 HH TYR A 64 6.573 -8.400 -8.185 1.00 0.00 H new ATOM 1066 N VAL A 65 7.482 -3.421 -0.485 1.00 0.00 N ATOM 1067 CA VAL A 65 8.117 -2.738 0.623 1.00 0.00 C ATOM 1068 C VAL A 65 9.466 -3.410 0.848 1.00 0.00 C ATOM 1069 O VAL A 65 9.560 -4.641 0.890 1.00 0.00 O ATOM 1070 CB VAL A 65 7.202 -2.735 1.852 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.965 -2.175 3.061 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.981 -1.853 1.541 1.00 0.00 C ATOM 0 H VAL A 65 6.778 -4.108 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 65 8.291 -1.683 0.409 1.00 0.00 H new ATOM 0 HB VAL A 65 6.877 -3.749 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.313 -2.174 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.837 -2.797 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.288 -1.156 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.315 -1.836 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.312 -0.839 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.449 -2.258 0.680 1.00 0.00 H new ATOM 1082 N TYR A 66 10.516 -2.595 0.954 1.00 0.00 N ATOM 1083 CA TYR A 66 11.835 -3.087 1.276 1.00 0.00 C ATOM 1084 C TYR A 66 11.853 -3.211 2.788 1.00 0.00 C ATOM 1085 O TYR A 66 11.548 -2.238 3.482 1.00 0.00 O ATOM 1086 CB TYR A 66 12.896 -2.099 0.769 1.00 0.00 C ATOM 1087 CG TYR A 66 14.324 -2.605 0.796 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.631 -3.830 0.190 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.363 -1.808 1.313 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.954 -4.271 0.094 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.696 -2.263 1.250 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.989 -3.488 0.621 1.00 0.00 C ATOM 1093 OH TYR A 66 18.269 -3.932 0.526 1.00 0.00 O ATOM 0 H TYR A 66 10.467 -1.585 0.818 1.00 0.00 H new ATOM 0 HA TYR A 66 12.059 -4.044 0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.647 -1.819 -0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.839 -1.191 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.835 -4.442 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.139 -0.849 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.178 -5.213 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.490 -1.673 1.683 1.00 0.00 H new ATOM 0 HH TYR A 66 18.731 -3.784 1.378 1.00 0.00 H new ATOM 1103 N ALA A 67 12.156 -4.394 3.319 1.00 0.00 N ATOM 1104 CA ALA A 67 12.225 -4.533 4.762 1.00 0.00 C ATOM 1105 C ALA A 67 13.407 -5.384 5.164 1.00 0.00 C ATOM 1106 O ALA A 67 13.848 -6.231 4.386 1.00 0.00 O ATOM 1107 CB ALA A 67 10.890 -4.996 5.351 1.00 0.00 C ATOM 0 H ALA A 67 12.351 -5.242 2.787 1.00 0.00 H new ATOM 0 HA ALA A 67 12.400 -3.551 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.982 -5.088 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.115 -4.267 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.621 -5.963 4.926 1.00 0.00 H new ATOM 1113 N SER A 68 13.943 -5.135 6.363 1.00 0.00 N ATOM 1114 CA SER A 68 15.167 -5.769 6.836 1.00 0.00 C ATOM 1115 C SER A 68 16.339 -5.361 5.934 1.00 0.00 C ATOM 1116 O SER A 68 17.095 -4.453 6.265 1.00 0.00 O ATOM 1117 CB SER A 68 14.995 -7.292 6.996 1.00 0.00 C ATOM 1118 OG SER A 68 15.429 -7.692 8.283 1.00 0.00 O ATOM 0 H SER A 68 13.534 -4.484 7.033 1.00 0.00 H new ATOM 0 HA SER A 68 15.400 -5.412 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.950 -7.566 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.569 -7.814 6.230 1.00 0.00 H new ATOM 0 HG SER A 68 15.316 -8.661 8.380 1.00 0.00 H new ATOM 1124 N ASP A 69 16.437 -6.007 4.768 1.00 0.00 N ATOM 1125 CA ASP A 69 17.310 -5.694 3.655 1.00 0.00 C ATOM 1126 C ASP A 69 16.952 -6.582 2.455 1.00 0.00 C ATOM 1127 O ASP A 69 17.837 -7.013 1.720 1.00 0.00 O ATOM 1128 CB ASP A 69 18.776 -5.893 4.081 1.00 0.00 C ATOM 1129 CG ASP A 69 19.770 -5.160 3.186 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.495 -3.981 2.870 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.808 -5.776 2.869 1.00 0.00 O ATOM 0 H ASP A 69 15.859 -6.824 4.573 1.00 0.00 H new ATOM 0 HA ASP A 69 17.179 -4.653 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.899 -5.547 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.008 -6.958 4.073 1.00 0.00 H new ATOM 1136 N LYS A 70 15.661 -6.893 2.275 1.00 0.00 N ATOM 1137 CA LYS A 70 15.166 -7.725 1.190 1.00 0.00 C ATOM 1138 C LYS A 70 13.832 -7.163 0.694 1.00 0.00 C ATOM 1139 O LYS A 70 13.147 -6.425 1.409 1.00 0.00 O ATOM 1140 CB LYS A 70 14.989 -9.186 1.639 1.00 0.00 C ATOM 1141 CG LYS A 70 16.296 -9.969 1.861 1.00 0.00 C ATOM 1142 CD LYS A 70 16.748 -9.994 3.330 1.00 0.00 C ATOM 1143 CE LYS A 70 17.771 -11.111 3.603 1.00 0.00 C ATOM 1144 NZ LYS A 70 19.148 -10.600 3.720 1.00 0.00 N ATOM 0 H LYS A 70 14.923 -6.562 2.897 1.00 0.00 H new ATOM 0 HA LYS A 70 15.898 -7.714 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.416 -9.197 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.394 -9.709 0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.162 -10.993 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.085 -9.526 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.186 -9.030 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.879 -10.133 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.500 -11.630 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.726 -11.845 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.797 -11.391 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.419 -10.128 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.200 -9.920 4.505 1.00 0.00 H new ATOM 1158 N LEU A 71 13.482 -7.522 -0.544 1.00 0.00 N ATOM 1159 CA LEU A 71 12.203 -7.222 -1.161 1.00 0.00 C ATOM 1160 C LEU A 71 11.186 -8.259 -0.683 1.00 0.00 C ATOM 1161 O LEU A 71 11.343 -9.459 -0.924 1.00 0.00 O ATOM 1162 CB LEU A 71 12.352 -7.258 -2.691 1.00 0.00 C ATOM 1163 CG LEU A 71 12.697 -5.889 -3.300 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.792 -6.006 -4.361 1.00 0.00 C ATOM 1165 CD2 LEU A 71 11.444 -5.280 -3.922 1.00 0.00 C ATOM 0 H LEU A 71 14.106 -8.046 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 71 11.860 -6.227 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.131 -7.973 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.423 -7.620 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 71 13.070 -5.247 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.010 -5.019 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.694 -6.419 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.454 -6.664 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.687 -4.309 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.067 -5.941 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.681 -5.154 -3.154 1.00 0.00 H new ATOM 1177 N PHE A 72 10.134 -7.792 -0.015 1.00 0.00 N ATOM 1178 CA PHE A 72 9.019 -8.610 0.409 1.00 0.00 C ATOM 1179 C PHE A 72 7.810 -8.174 -0.407 1.00 0.00 C ATOM 1180 O PHE A 72 7.414 -7.010 -0.341 1.00 0.00 O ATOM 1181 CB PHE A 72 8.822 -8.386 1.907 1.00 0.00 C ATOM 1182 CG PHE A 72 9.931 -8.986 2.746 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.091 -10.382 2.831 1.00 0.00 C ATOM 1184 CD2 PHE A 72 10.815 -8.140 3.434 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.120 -10.924 3.619 1.00 0.00 C ATOM 1186 CE2 PHE A 72 11.797 -8.683 4.285 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.965 -10.076 4.356 1.00 0.00 C ATOM 0 H PHE A 72 10.038 -6.811 0.249 1.00 0.00 H new ATOM 0 HA PHE A 72 9.181 -9.676 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.763 -7.316 2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.869 -8.819 2.211 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.423 -11.036 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.742 -7.070 3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.262 -11.994 3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.419 -8.031 4.881 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.743 -10.495 4.977 1.00 0.00 H new ATOM 1197 N ARG A 73 7.242 -9.085 -1.202 1.00 0.00 N ATOM 1198 CA ARG A 73 6.078 -8.767 -2.001 1.00 0.00 C ATOM 1199 C ARG A 73 4.915 -8.640 -1.034 1.00 0.00 C ATOM 1200 O ARG A 73 4.515 -9.649 -0.461 1.00 0.00 O ATOM 1201 CB ARG A 73 5.819 -9.867 -3.042 1.00 0.00 C ATOM 1202 CG ARG A 73 5.148 -9.291 -4.293 1.00 0.00 C ATOM 1203 CD ARG A 73 5.227 -10.294 -5.451 1.00 0.00 C ATOM 1204 NE ARG A 73 4.322 -11.433 -5.245 1.00 0.00 N ATOM 1205 CZ ARG A 73 4.386 -12.598 -5.907 1.00 0.00 C ATOM 1206 NH1 ARG A 73 5.395 -12.854 -6.749 1.00 0.00 N ATOM 1207 NH2 ARG A 73 3.425 -13.510 -5.728 1.00 0.00 N ATOM 0 H ARG A 73 7.576 -10.044 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 73 6.220 -7.841 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.761 -10.342 -3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.186 -10.641 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.106 -9.055 -4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.634 -8.358 -4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.974 -9.792 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.250 -10.656 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 73 3.588 -11.330 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.127 -12.159 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.431 -13.744 -7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.651 -13.317 -5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.466 -14.398 -6.227 1.00 0.00 H new ATOM 1221 N ALA A 74 4.406 -7.433 -0.793 1.00 0.00 N ATOM 1222 CA ALA A 74 3.291 -7.255 0.110 1.00 0.00 C ATOM 1223 C ALA A 74 2.066 -6.854 -0.700 1.00 0.00 C ATOM 1224 O ALA A 74 2.051 -5.817 -1.356 1.00 0.00 O ATOM 1225 CB ALA A 74 3.667 -6.311 1.254 1.00 0.00 C ATOM 0 H ALA A 74 4.753 -6.571 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 74 3.030 -8.186 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.814 -6.191 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.507 -6.729 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.949 -5.340 0.847 1.00 0.00 H new ATOM 1231 N ASP A 75 1.053 -7.723 -0.699 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.154 -7.554 -1.474 1.00 0.00 C ATOM 1233 C ASP A 75 -1.339 -7.509 -0.531 1.00 0.00 C ATOM 1234 O ASP A 75 -1.717 -8.539 0.005 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.287 -8.730 -2.429 1.00 0.00 C ATOM 1236 CG ASP A 75 -1.664 -8.781 -3.079 1.00 0.00 C ATOM 1237 OD1 ASP A 75 -1.916 -7.912 -3.940 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -2.434 -9.681 -2.686 1.00 0.00 O ATOM 0 H ASP A 75 1.060 -8.579 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.117 -6.627 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.477 -8.658 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.106 -9.659 -1.888 1.00 0.00 H new ATOM 1243 N ILE A 76 -1.944 -6.349 -0.317 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.221 -6.325 0.395 1.00 0.00 C ATOM 1245 C ILE A 76 -4.380 -6.620 -0.559 1.00 0.00 C ATOM 1246 O ILE A 76 -4.438 -6.050 -1.646 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.385 -5.013 1.163 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.196 -4.848 2.130 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.743 -4.981 1.884 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.053 -5.996 3.127 1.00 0.00 C ATOM 0 H ILE A 76 -1.590 -5.439 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.231 -7.120 1.140 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.380 -4.167 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.276 -4.765 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.312 -3.914 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.845 -4.041 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.546 -5.066 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.802 -5.813 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.196 -5.811 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.957 -6.067 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.904 -6.931 2.587 1.00 0.00 H new ATOM 1262 N SER A 77 -5.276 -7.517 -0.134 1.00 0.00 N ATOM 1263 CA SER A 77 -6.532 -7.889 -0.780 1.00 0.00 C ATOM 1264 C SER A 77 -7.662 -7.062 -0.179 1.00 0.00 C ATOM 1265 O SER A 77 -7.542 -6.639 0.966 1.00 0.00 O ATOM 1266 CB SER A 77 -6.780 -9.381 -0.524 1.00 0.00 C ATOM 1267 OG SER A 77 -8.142 -9.770 -0.618 1.00 0.00 O ATOM 0 H SER A 77 -5.129 -8.037 0.731 1.00 0.00 H new ATOM 0 HA SER A 77 -6.486 -7.702 -1.853 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.198 -9.962 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.409 -9.634 0.469 1.00 0.00 H new ATOM 0 HG SER A 77 -8.220 -10.731 -0.445 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.758 -6.877 -0.917 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.995 -6.280 -0.452 1.00 0.00 C ATOM 1275 C GLU A 78 -11.195 -7.180 -0.738 1.00 0.00 C ATOM 1276 O GLU A 78 -11.058 -8.229 -1.359 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.172 -4.914 -1.117 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.026 -3.963 -0.763 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.503 -2.515 -0.778 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.053 -2.114 -1.827 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.279 -1.818 0.233 1.00 0.00 O ATOM 0 H GLU A 78 -8.802 -7.154 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.939 -6.156 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.221 -5.039 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.119 -4.476 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.632 -4.211 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.209 -4.089 -1.474 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.371 -6.741 -0.279 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.655 -7.413 -0.469 1.00 0.00 C ATOM 1290 C ASP A 79 -14.521 -6.627 -1.465 1.00 0.00 C ATOM 1291 O ASP A 79 -15.007 -5.550 -1.120 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.366 -7.526 0.887 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.605 -8.419 0.838 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.090 -8.696 -0.283 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.054 -8.807 1.937 1.00 0.00 O ATOM 0 H ASP A 79 -12.455 -5.876 0.254 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.490 -8.411 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.668 -7.922 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.655 -6.530 1.224 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.724 -7.173 -2.669 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.462 -6.543 -3.767 1.00 0.00 C ATOM 1302 C TYR A 80 -16.793 -5.897 -3.345 1.00 0.00 C ATOM 1303 O TYR A 80 -17.071 -4.767 -3.736 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.673 -7.578 -4.887 1.00 0.00 C ATOM 1305 CG TYR A 80 -15.992 -7.013 -6.256 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -15.163 -6.050 -6.848 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.004 -7.623 -7.030 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -15.361 -5.645 -8.169 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -17.197 -7.234 -8.379 1.00 0.00 C ATOM 1310 CZ TYR A 80 -16.367 -6.247 -8.942 1.00 0.00 C ATOM 1311 OH TYR A 80 -16.510 -5.904 -10.252 1.00 0.00 O ATOM 0 H TYR A 80 -14.367 -8.097 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.855 -5.712 -4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.773 -8.187 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.484 -8.244 -4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.359 -5.615 -6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.631 -8.386 -6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.742 -4.870 -8.596 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -17.976 -7.692 -8.971 1.00 0.00 H new ATOM 0 HH TYR A 80 -17.251 -6.412 -10.644 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.594 -6.602 -2.536 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.795 -6.123 -1.844 1.00 0.00 C ATOM 1323 C LYS A 81 -18.706 -4.652 -1.394 1.00 0.00 C ATOM 1324 O LYS A 81 -19.685 -3.913 -1.477 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.010 -7.067 -0.646 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.184 -6.706 0.280 1.00 0.00 C ATOM 1327 CD LYS A 81 -19.629 -6.140 1.589 1.00 0.00 C ATOM 1328 CE LYS A 81 -20.740 -5.615 2.515 1.00 0.00 C ATOM 1329 NZ LYS A 81 -20.602 -6.128 3.891 1.00 0.00 N ATOM 0 H LYS A 81 -17.408 -7.585 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.641 -6.140 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.167 -8.077 -1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.096 -7.087 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.832 -5.974 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.792 -7.589 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -19.064 -6.915 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -18.932 -5.332 1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -20.714 -4.525 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -21.712 -5.905 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -21.370 -5.750 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -20.652 -7.167 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -19.686 -5.830 4.282 1.00 0.00 H new ATOM 1343 N THR A 82 -17.539 -4.256 -0.889 1.00 0.00 N ATOM 1344 CA THR A 82 -17.257 -2.937 -0.331 1.00 0.00 C ATOM 1345 C THR A 82 -15.791 -2.537 -0.588 1.00 0.00 C ATOM 1346 O THR A 82 -15.481 -2.032 -1.662 1.00 0.00 O ATOM 1347 CB THR A 82 -17.688 -2.924 1.151 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.096 -2.936 1.249 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.232 -1.697 1.925 1.00 0.00 C ATOM 0 H THR A 82 -16.729 -4.875 -0.857 1.00 0.00 H new ATOM 0 HA THR A 82 -17.840 -2.163 -0.831 1.00 0.00 H new ATOM 0 HB THR A 82 -17.219 -3.810 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.361 -2.769 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.577 -1.769 2.956 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.144 -1.641 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.648 -0.801 1.465 1.00 0.00 H new ATOM 1357 N ARG A 83 -14.903 -2.717 0.398 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.506 -2.279 0.400 1.00 0.00 C ATOM 1359 C ARG A 83 -12.852 -2.733 1.709 1.00 0.00 C ATOM 1360 O ARG A 83 -12.146 -1.971 2.366 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.353 -0.755 0.192 1.00 0.00 C ATOM 1362 CG ARG A 83 -14.074 0.112 1.236 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.759 1.603 1.041 1.00 0.00 C ATOM 1364 NE ARG A 83 -14.987 2.412 1.037 1.00 0.00 N ATOM 1365 CZ ARG A 83 -15.739 2.695 2.109 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -15.365 2.294 3.329 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -16.876 3.380 1.947 1.00 0.00 N ATOM 0 H ARG A 83 -15.156 -3.198 1.261 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.000 -2.740 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.292 -0.505 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.731 -0.497 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.150 -0.047 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.774 -0.197 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.098 1.945 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.225 1.744 0.101 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.293 2.790 0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.500 1.767 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.945 2.515 4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.162 3.681 1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.457 3.602 2.755 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.108 -3.984 2.114 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.417 -4.572 3.253 1.00 0.00 C ATOM 1383 C GLY A 84 -10.915 -4.644 2.967 1.00 0.00 C ATOM 1384 O GLY A 84 -10.491 -4.285 1.874 1.00 0.00 O ATOM 0 H GLY A 84 -13.787 -4.601 1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.598 -3.976 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.807 -5.570 3.451 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.107 -5.125 3.916 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.672 -5.269 3.721 1.00 0.00 C ATOM 1390 C ARG A 85 -8.207 -6.572 4.378 1.00 0.00 C ATOM 1391 O ARG A 85 -8.259 -6.684 5.601 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.891 -4.040 4.219 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.677 -2.949 4.961 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.282 -3.463 6.274 1.00 0.00 C ATOM 1395 NE ARG A 85 -9.113 -2.499 7.366 1.00 0.00 N ATOM 1396 CZ ARG A 85 -9.461 -2.743 8.637 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.062 -3.894 8.962 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -9.201 -1.832 9.578 1.00 0.00 N ATOM 0 H ARG A 85 -10.433 -5.423 4.835 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.461 -5.325 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.099 -4.391 4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.407 -3.578 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.017 -2.108 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.474 -2.576 4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.343 -3.667 6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.810 -4.407 6.546 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.707 -1.590 7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.257 -4.589 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.325 -4.076 9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.740 -0.957 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.463 -2.011 10.547 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.796 -7.561 3.578 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.318 -8.855 4.046 1.00 0.00 C ATOM 1414 C LYS A 86 -5.795 -8.924 3.980 1.00 0.00 C ATOM 1415 O LYS A 86 -5.164 -8.434 3.040 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.935 -10.003 3.237 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.412 -10.288 3.536 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.684 -10.623 5.013 1.00 0.00 C ATOM 1419 CE LYS A 86 -10.022 -9.377 5.853 1.00 0.00 C ATOM 1420 NZ LYS A 86 -11.327 -9.516 6.520 1.00 0.00 N ATOM 0 H LYS A 86 -7.788 -7.476 2.562 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.630 -8.965 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.832 -9.776 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.360 -10.910 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.006 -9.419 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.747 -11.119 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.509 -11.332 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.809 -11.115 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.245 -9.219 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.032 -8.496 5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.525 -8.661 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.071 -9.643 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.308 -10.343 7.150 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.222 -9.561 5.003 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.793 -9.708 5.175 1.00 0.00 C ATOM 1436 C LEU A 87 -3.271 -10.714 4.146 1.00 0.00 C ATOM 1437 O LEU A 87 -3.338 -11.922 4.357 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.540 -10.163 6.626 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.129 -9.852 7.143 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.047 -10.170 8.641 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.018 -10.615 6.415 1.00 0.00 C ATOM 0 H LEU A 87 -5.762 -9.997 5.750 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.261 -8.771 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.269 -9.682 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.712 -11.237 6.694 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.965 -8.792 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.044 -9.948 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.772 -9.562 9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.266 -11.226 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.051 -10.341 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.175 -11.687 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.036 -10.360 5.355 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.704 -10.197 3.055 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.939 -10.955 2.065 1.00 0.00 C ATOM 1455 C LEU A 88 -0.555 -10.318 1.863 1.00 0.00 C ATOM 1456 O LEU A 88 0.213 -10.718 0.987 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.747 -11.053 0.761 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.616 -12.315 0.688 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -4.692 -12.127 -0.388 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -2.764 -13.538 0.334 1.00 0.00 C ATOM 0 H LEU A 88 -2.767 -9.204 2.829 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.766 -11.971 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.384 -10.174 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.062 -11.041 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.079 -12.477 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.312 -13.022 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.315 -11.269 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.215 -11.956 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.399 -14.423 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.288 -13.382 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.998 -13.681 1.096 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.225 -9.317 2.687 1.00 0.00 N ATOM 1473 CA ARG A 89 1.107 -8.757 2.750 1.00 0.00 C ATOM 1474 C ARG A 89 2.134 -9.823 3.107 1.00 0.00 C ATOM 1475 O ARG A 89 1.793 -10.866 3.656 1.00 0.00 O ATOM 1476 CB ARG A 89 1.190 -7.550 3.691 1.00 0.00 C ATOM 1477 CG ARG A 89 0.468 -7.726 5.029 1.00 0.00 C ATOM 1478 CD ARG A 89 0.583 -6.421 5.815 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.717 -5.967 6.336 1.00 0.00 N ATOM 1480 CZ ARG A 89 -1.219 -6.312 7.529 1.00 0.00 C ATOM 1481 NH1 ARG A 89 -0.554 -7.124 8.359 1.00 0.00 N ATOM 1482 NH2 ARG A 89 -2.406 -5.833 7.891 1.00 0.00 N ATOM 0 H ARG A 89 -0.886 -8.878 3.328 1.00 0.00 H new ATOM 0 HA ARG A 89 1.345 -8.386 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.240 -7.332 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.774 -6.681 3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.580 -7.978 4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.909 -8.548 5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.276 -6.559 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.004 -5.648 5.172 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.274 -5.347 5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.357 -7.495 8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.958 -7.372 9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.919 -5.213 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.803 -6.085 8.796 1.00 0.00 H new ATOM 1496 N PHE A 90 3.398 -9.501 2.822 1.00 0.00 N ATOM 1497 CA PHE A 90 4.562 -10.326 3.096 1.00 0.00 C ATOM 1498 C PHE A 90 4.546 -11.649 2.340 1.00 0.00 C ATOM 1499 O PHE A 90 4.032 -12.649 2.834 1.00 0.00 O ATOM 1500 CB PHE A 90 4.700 -10.582 4.591 1.00 0.00 C ATOM 1501 CG PHE A 90 5.561 -9.570 5.269 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.960 -9.624 5.126 1.00 0.00 C ATOM 1503 CD2 PHE A 90 4.944 -8.500 5.926 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.728 -8.504 5.475 1.00 0.00 C ATOM 1505 CE2 PHE A 90 5.745 -7.473 6.429 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.068 -7.367 5.975 1.00 0.00 C ATOM 0 H PHE A 90 3.642 -8.618 2.374 1.00 0.00 H new ATOM 0 HA PHE A 90 5.426 -9.765 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.711 -10.578 5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 90 5.120 -11.575 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.437 -10.518 4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.871 -8.469 6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.802 -8.514 5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.354 -6.774 7.153 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.578 -6.416 6.009 1.00 0.00 H new ATOM 1516 N ASN A 91 5.165 -11.675 1.162 1.00 0.00 N ATOM 1517 CA ASN A 91 5.180 -12.857 0.323 1.00 0.00 C ATOM 1518 C ASN A 91 6.444 -12.883 -0.537 1.00 0.00 C ATOM 1519 O ASN A 91 7.164 -11.884 -0.631 1.00 0.00 O ATOM 1520 CB ASN A 91 3.899 -12.858 -0.518 1.00 0.00 C ATOM 1521 CG ASN A 91 3.434 -14.258 -0.891 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.218 -15.203 -0.917 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.145 -14.402 -1.178 1.00 0.00 N ATOM 0 H ASN A 91 5.666 -10.878 0.769 1.00 0.00 H new ATOM 0 HA ASN A 91 5.202 -13.763 0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.107 -12.354 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.068 -12.283 -1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.778 -15.320 -1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.522 -13.595 -1.146 1.00 0.00 H new ATOM 1530 N GLY A 92 6.711 -14.040 -1.145 1.00 0.00 N ATOM 1531 CA GLY A 92 7.905 -14.331 -1.921 1.00 0.00 C ATOM 1532 C GLY A 92 8.809 -15.282 -1.131 1.00 0.00 C ATOM 1533 O GLY A 92 8.460 -16.456 -1.013 1.00 0.00 O ATOM 0 H GLY A 92 6.069 -14.831 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.631 -14.782 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.439 -13.408 -2.146 1.00 0.00 H new ATOM 1537 N PRO A 93 9.939 -14.827 -0.561 1.00 0.00 N ATOM 1538 CA PRO A 93 10.482 -13.478 -0.654 1.00 0.00 C ATOM 1539 C PRO A 93 11.044 -13.232 -2.056 1.00 0.00 C ATOM 1540 O PRO A 93 11.175 -14.165 -2.847 1.00 0.00 O ATOM 1541 CB PRO A 93 11.572 -13.416 0.419 1.00 0.00 C ATOM 1542 CG PRO A 93 12.076 -14.858 0.504 1.00 0.00 C ATOM 1543 CD PRO A 93 10.836 -15.696 0.183 1.00 0.00 C ATOM 0 HA PRO A 93 9.729 -12.706 -0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.370 -12.728 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.175 -13.073 1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.880 -15.044 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.469 -15.087 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.102 -16.575 -0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.362 -16.054 1.097 1.00 0.00 H new ATOM 1551 N VAL A 94 11.335 -11.971 -2.382 1.00 0.00 N ATOM 1552 CA VAL A 94 11.760 -11.563 -3.717 1.00 0.00 C ATOM 1553 C VAL A 94 13.244 -11.177 -3.631 1.00 0.00 C ATOM 1554 O VAL A 94 13.622 -10.406 -2.748 1.00 0.00 O ATOM 1555 CB VAL A 94 10.863 -10.398 -4.167 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.329 -9.662 -5.437 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.410 -10.872 -4.321 1.00 0.00 C ATOM 0 H VAL A 94 11.281 -11.199 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 94 11.660 -12.358 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 94 10.938 -9.657 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.629 -8.859 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.321 -9.242 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.367 -10.363 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.787 -10.037 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.363 -11.665 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.048 -11.251 -3.365 1.00 0.00 H new ATOM 1567 N PRO A 95 14.107 -11.706 -4.512 1.00 0.00 N ATOM 1568 CA PRO A 95 15.517 -11.353 -4.521 1.00 0.00 C ATOM 1569 C PRO A 95 15.720 -9.939 -5.089 1.00 0.00 C ATOM 1570 O PRO A 95 14.869 -9.441 -5.825 1.00 0.00 O ATOM 1571 CB PRO A 95 16.193 -12.428 -5.375 1.00 0.00 C ATOM 1572 CG PRO A 95 15.092 -12.892 -6.330 1.00 0.00 C ATOM 1573 CD PRO A 95 13.802 -12.694 -5.534 1.00 0.00 C ATOM 0 HA PRO A 95 15.948 -11.325 -3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.049 -12.026 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.562 -13.250 -4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.088 -12.306 -7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.227 -13.935 -6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.994 -12.350 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.474 -13.631 -5.085 1.00 0.00 H new ATOM 1581 N PRO A 96 16.833 -9.270 -4.753 1.00 0.00 N ATOM 1582 CA PRO A 96 17.112 -7.923 -5.227 1.00 0.00 C ATOM 1583 C PRO A 96 17.414 -7.916 -6.733 1.00 0.00 C ATOM 1584 O PRO A 96 17.912 -8.910 -7.261 1.00 0.00 O ATOM 1585 CB PRO A 96 18.300 -7.434 -4.393 1.00 0.00 C ATOM 1586 CG PRO A 96 19.015 -8.720 -3.979 1.00 0.00 C ATOM 1587 CD PRO A 96 17.891 -9.753 -3.883 1.00 0.00 C ATOM 0 HA PRO A 96 16.254 -7.261 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.954 -6.783 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.970 -6.863 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.765 -9.014 -4.713 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.531 -8.601 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.237 -10.737 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.538 -9.852 -2.857 1.00 0.00 H new ATOM 1595 N PRO A 97 17.123 -6.808 -7.436 1.00 0.00 N ATOM 1596 CA PRO A 97 17.367 -6.692 -8.864 1.00 0.00 C ATOM 1597 C PRO A 97 18.866 -6.535 -9.141 1.00 0.00 C ATOM 1598 O PRO A 97 19.520 -5.796 -8.372 1.00 0.00 O ATOM 1599 CB PRO A 97 16.568 -5.463 -9.307 1.00 0.00 C ATOM 1600 CG PRO A 97 16.562 -4.575 -8.062 1.00 0.00 C ATOM 1601 CD PRO A 97 16.544 -5.582 -6.910 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.327 -7.142 -10.132 1.00 0.00 O ATOM 0 HA PRO A 97 17.057 -7.580 -9.415 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.037 -4.963 -10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.557 -5.731 -9.614 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.442 -3.933 -8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.690 -3.921 -8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.119 -5.213 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.527 -5.752 -6.557 1.00 0.00 H new