USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 905 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 95 GLN :FLIP amide:sc= -1.27 F(o=-7.7,f=-7.1) USER MOD Set 1.2: A 96 GLN : amide:sc= -5.82! C(o=-7.1!,f=-7.9!) USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= -0.492 F(o=-6.2,f=-4.9) USER MOD Set 2.2: A 68 GLN : amide:sc= -4.37 K(o=-4.9,f=-11!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0259 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 140:sc= -1.96! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 72:sc= -1.73! USER MOD Single : A 35 ASN :FLIP amide:sc= -2.09 F(o=-5.7!,f=-2.1) USER MOD Single : A 45 SER OG : rot -26:sc= 0.619 USER MOD Single : A 46 LYS NZ :NH3+ -132:sc=-0.00351 (180deg=-0.207) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -35:sc= 0.396 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= -0.0212 (180deg=-0.202) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.68) USER MOD Single : A 73 HIS : no HD1:sc= -19.1! C(o=-19!,f=-23!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -143:sc= -11.1! (180deg=-12.5!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 84 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-4.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -40:sc= -2.84! USER MOD Single : A 104 LYS NZ :NH3+ -160:sc= 0.0316 (180deg=-0.475) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 4 9.576 -10.517 -4.726 1.00 0.00 N ATOM 62 CA GLY A 4 9.311 -9.314 -3.961 1.00 0.00 C ATOM 63 C GLY A 4 8.785 -8.176 -4.813 1.00 0.00 C ATOM 64 O GLY A 4 9.544 -7.519 -5.524 1.00 0.00 O ATOM 0 HA2 GLY A 4 8.587 -9.540 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.228 -8.996 -3.465 1.00 0.00 H new ATOM 68 N ILE A 5 7.482 -7.940 -4.737 1.00 0.00 N ATOM 69 CA ILE A 5 6.853 -6.872 -5.502 1.00 0.00 C ATOM 70 C ILE A 5 6.144 -5.888 -4.580 1.00 0.00 C ATOM 71 O ILE A 5 5.150 -6.224 -3.938 1.00 0.00 O ATOM 72 CB ILE A 5 5.844 -7.431 -6.519 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.454 -8.623 -7.259 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.421 -6.347 -7.499 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.079 -9.960 -6.661 1.00 0.00 C ATOM 0 H ILE A 5 6.839 -8.475 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 5 7.646 -6.354 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 5 4.956 -7.770 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.133 -8.597 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.540 -8.525 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.707 -6.759 -8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.956 -5.525 -6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.296 -5.979 -8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.546 -10.760 -7.236 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.424 -10.006 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.996 -10.079 -6.687 1.00 0.00 H new ATOM 87 N VAL A 6 6.666 -4.668 -4.521 1.00 0.00 N ATOM 88 CA VAL A 6 6.088 -3.626 -3.682 1.00 0.00 C ATOM 89 C VAL A 6 5.516 -2.498 -4.533 1.00 0.00 C ATOM 90 O VAL A 6 6.209 -1.935 -5.375 1.00 0.00 O ATOM 91 CB VAL A 6 7.132 -3.035 -2.716 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.287 -2.419 -3.485 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.480 -2.015 -1.798 1.00 0.00 C ATOM 0 H VAL A 6 7.491 -4.376 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 6 5.290 -4.092 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 6 7.534 -3.840 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.013 -2.007 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.766 -3.184 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.912 -1.623 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.228 -1.605 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.051 -1.210 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.692 -2.497 -1.219 1.00 0.00 H new ATOM 103 N TRP A 7 4.250 -2.170 -4.312 1.00 0.00 N ATOM 104 CA TRP A 7 3.601 -1.107 -5.069 1.00 0.00 C ATOM 105 C TRP A 7 3.158 0.025 -4.144 1.00 0.00 C ATOM 106 O TRP A 7 2.666 -0.217 -3.042 1.00 0.00 O ATOM 107 CB TRP A 7 2.421 -1.682 -5.851 1.00 0.00 C ATOM 108 CG TRP A 7 2.839 -2.669 -6.901 1.00 0.00 C ATOM 109 CD1 TRP A 7 4.097 -2.850 -7.398 1.00 0.00 C ATOM 110 CD2 TRP A 7 2.002 -3.621 -7.571 1.00 0.00 C ATOM 111 NE1 TRP A 7 4.094 -3.841 -8.348 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.821 -4.336 -8.467 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.642 -3.936 -7.504 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.324 -5.348 -9.284 1.00 0.00 C ATOM 115 CZ3 TRP A 7 0.151 -4.942 -8.317 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.991 -5.637 -9.195 1.00 0.00 C ATOM 0 H TRP A 7 3.654 -2.622 -3.618 1.00 0.00 H new ATOM 0 HA TRP A 7 4.314 -0.686 -5.778 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.734 -2.167 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.874 -0.867 -6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.969 -2.294 -7.088 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.906 -4.157 -8.878 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.013 -3.404 -6.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.969 -5.885 -9.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -0.898 -5.195 -8.274 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.577 -6.418 -9.815 1.00 0.00 H new ATOM 127 N VAL A 8 3.370 1.262 -4.590 1.00 0.00 N ATOM 128 CA VAL A 8 3.028 2.440 -3.791 1.00 0.00 C ATOM 129 C VAL A 8 2.075 3.378 -4.536 1.00 0.00 C ATOM 130 O VAL A 8 2.414 3.907 -5.590 1.00 0.00 O ATOM 131 CB VAL A 8 4.301 3.236 -3.411 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.211 3.763 -1.982 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.553 2.382 -3.605 1.00 0.00 C ATOM 0 H VAL A 8 3.777 1.476 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 8 2.533 2.072 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 8 4.374 4.095 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.118 4.318 -1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.347 4.422 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.104 2.926 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.435 2.962 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.491 1.496 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.628 2.078 -4.649 1.00 0.00 H new ATOM 143 N VAL A 9 0.890 3.598 -3.973 1.00 0.00 N ATOM 144 CA VAL A 9 -0.091 4.491 -4.591 1.00 0.00 C ATOM 145 C VAL A 9 -0.142 5.825 -3.843 1.00 0.00 C ATOM 146 O VAL A 9 -0.706 5.911 -2.754 1.00 0.00 O ATOM 147 CB VAL A 9 -1.510 3.856 -4.616 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.215 4.152 -5.932 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.436 2.358 -4.391 1.00 0.00 C ATOM 0 H VAL A 9 0.585 3.175 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 9 0.226 4.660 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.087 4.301 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.205 3.697 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.312 5.230 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.633 3.741 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.441 1.937 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.834 1.901 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.980 2.158 -3.422 1.00 0.00 H new ATOM 159 N ASP A 10 0.455 6.862 -4.448 1.00 0.00 N ATOM 160 CA ASP A 10 0.489 8.213 -3.864 1.00 0.00 C ATOM 161 C ASP A 10 1.496 9.098 -4.596 1.00 0.00 C ATOM 162 O ASP A 10 2.688 8.812 -4.611 1.00 0.00 O ATOM 163 CB ASP A 10 0.842 8.188 -2.365 1.00 0.00 C ATOM 164 CG ASP A 10 0.815 9.582 -1.736 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.776 10.573 -2.497 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.832 9.687 -0.484 1.00 0.00 O ATOM 0 H ASP A 10 0.925 6.790 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.514 8.624 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.139 7.542 -1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.833 7.753 -2.235 1.00 0.00 H new ATOM 171 N ASP A 11 1.009 10.184 -5.184 1.00 0.00 N ATOM 172 CA ASP A 11 1.855 11.140 -5.903 1.00 0.00 C ATOM 173 C ASP A 11 2.330 10.604 -7.255 1.00 0.00 C ATOM 174 O ASP A 11 2.683 11.383 -8.141 1.00 0.00 O ATOM 175 CB ASP A 11 3.059 11.537 -5.048 1.00 0.00 C ATOM 176 CG ASP A 11 3.319 13.030 -5.081 1.00 0.00 C ATOM 177 OD1 ASP A 11 3.216 13.626 -6.173 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.624 13.605 -4.014 1.00 0.00 O ATOM 0 H ASP A 11 0.019 10.430 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 11 1.240 12.018 -6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.890 11.222 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.944 11.008 -5.402 1.00 0.00 H new ATOM 183 N ASP A 12 2.339 9.283 -7.418 1.00 0.00 N ATOM 184 CA ASP A 12 2.774 8.673 -8.670 1.00 0.00 C ATOM 185 C ASP A 12 4.300 8.768 -8.827 1.00 0.00 C ATOM 186 O ASP A 12 5.034 8.592 -7.854 1.00 0.00 O ATOM 187 CB ASP A 12 2.049 9.329 -9.855 1.00 0.00 C ATOM 188 CG ASP A 12 1.819 8.361 -11.000 1.00 0.00 C ATOM 189 OD1 ASP A 12 0.974 7.455 -10.849 1.00 0.00 O ATOM 190 OD2 ASP A 12 2.483 8.510 -12.047 1.00 0.00 O ATOM 0 H ASP A 12 2.051 8.617 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 12 2.514 7.615 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.090 9.723 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.634 10.177 -10.211 1.00 0.00 H new ATOM 195 N SER A 13 4.769 9.030 -10.055 1.00 0.00 N ATOM 196 CA SER A 13 6.202 9.132 -10.356 1.00 0.00 C ATOM 197 C SER A 13 7.018 9.671 -9.188 1.00 0.00 C ATOM 198 O SER A 13 8.094 9.156 -8.879 1.00 0.00 O ATOM 199 CB SER A 13 6.419 10.019 -11.583 1.00 0.00 C ATOM 200 OG SER A 13 7.749 9.910 -12.062 1.00 0.00 O ATOM 0 H SER A 13 4.167 9.177 -10.865 1.00 0.00 H new ATOM 0 HA SER A 13 6.552 8.119 -10.555 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.721 9.734 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.205 11.057 -11.328 1.00 0.00 H new ATOM 0 HG SER A 13 7.862 10.485 -12.847 1.00 0.00 H new ATOM 206 N SER A 14 6.511 10.710 -8.550 1.00 0.00 N ATOM 207 CA SER A 14 7.201 11.325 -7.418 1.00 0.00 C ATOM 208 C SER A 14 7.545 10.279 -6.364 1.00 0.00 C ATOM 209 O SER A 14 8.713 9.938 -6.170 1.00 0.00 O ATOM 210 CB SER A 14 6.339 12.428 -6.803 1.00 0.00 C ATOM 211 OG SER A 14 6.737 13.706 -7.269 1.00 0.00 O ATOM 0 H SER A 14 5.623 11.150 -8.793 1.00 0.00 H new ATOM 0 HA SER A 14 8.128 11.766 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.292 12.257 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.418 12.393 -5.716 1.00 0.00 H new ATOM 0 HG SER A 14 6.169 14.394 -6.862 1.00 0.00 H new ATOM 217 N ILE A 15 6.521 9.765 -5.697 1.00 0.00 N ATOM 218 CA ILE A 15 6.710 8.748 -4.674 1.00 0.00 C ATOM 219 C ILE A 15 7.363 7.497 -5.268 1.00 0.00 C ATOM 220 O ILE A 15 7.937 6.681 -4.547 1.00 0.00 O ATOM 221 CB ILE A 15 5.366 8.376 -4.001 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.861 9.546 -3.151 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.511 7.125 -3.142 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.712 9.825 -1.932 1.00 0.00 C ATOM 0 H ILE A 15 5.549 10.037 -5.847 1.00 0.00 H new ATOM 0 HA ILE A 15 7.372 9.163 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 15 4.639 8.166 -4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.823 10.443 -3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.841 9.336 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.552 6.887 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.831 6.290 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.253 7.302 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.292 10.666 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.730 8.943 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.728 10.067 -2.245 1.00 0.00 H new ATOM 236 N ARG A 16 7.262 7.356 -6.588 1.00 0.00 N ATOM 237 CA ARG A 16 7.829 6.207 -7.288 1.00 0.00 C ATOM 238 C ARG A 16 9.349 6.286 -7.366 1.00 0.00 C ATOM 239 O ARG A 16 10.052 5.419 -6.854 1.00 0.00 O ATOM 240 CB ARG A 16 7.261 6.135 -8.705 1.00 0.00 C ATOM 241 CG ARG A 16 7.419 4.777 -9.372 1.00 0.00 C ATOM 242 CD ARG A 16 7.105 4.852 -10.857 1.00 0.00 C ATOM 243 NE ARG A 16 8.045 5.716 -11.569 1.00 0.00 N ATOM 244 CZ ARG A 16 7.692 6.591 -12.511 1.00 0.00 C ATOM 245 NH1 ARG A 16 6.422 6.718 -12.875 1.00 0.00 N ATOM 246 NH2 ARG A 16 8.619 7.339 -13.094 1.00 0.00 N ATOM 0 H ARG A 16 6.791 8.026 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 16 7.561 5.313 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.202 6.391 -8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.752 6.889 -9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.438 4.417 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.757 4.055 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.136 3.850 -11.286 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.091 5.227 -10.995 1.00 0.00 H new ATOM 0 HE ARG A 16 9.034 5.645 -11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.705 6.143 -12.433 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.163 7.391 -13.597 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.597 7.243 -12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.354 8.010 -13.815 1.00 0.00 H new ATOM 260 N TRP A 17 9.849 7.323 -8.027 1.00 0.00 N ATOM 261 CA TRP A 17 11.287 7.505 -8.196 1.00 0.00 C ATOM 262 C TRP A 17 12.048 7.324 -6.883 1.00 0.00 C ATOM 263 O TRP A 17 13.062 6.626 -6.835 1.00 0.00 O ATOM 264 CB TRP A 17 11.584 8.885 -8.782 1.00 0.00 C ATOM 265 CG TRP A 17 13.044 9.116 -9.016 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.790 8.657 -10.063 1.00 0.00 C ATOM 267 CD2 TRP A 17 13.935 9.853 -8.177 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.095 9.066 -9.925 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.208 9.803 -8.774 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.780 10.553 -6.978 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.319 10.426 -8.212 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.882 11.171 -6.420 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.138 11.105 -7.037 1.00 0.00 C ATOM 0 H TRP A 17 9.279 8.052 -8.456 1.00 0.00 H new ATOM 0 HA TRP A 17 11.629 6.734 -8.887 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.048 8.997 -9.724 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.204 9.651 -8.106 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.411 8.060 -10.879 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.855 8.856 -10.572 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.815 10.610 -6.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.288 10.376 -8.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.774 11.714 -5.493 1.00 0.00 H new ATOM 0 HH2 TRP A 17 16.980 11.600 -6.577 1.00 0.00 H new ATOM 284 N VAL A 18 11.573 7.968 -5.828 1.00 0.00 N ATOM 285 CA VAL A 18 12.239 7.878 -4.533 1.00 0.00 C ATOM 286 C VAL A 18 12.203 6.466 -3.972 1.00 0.00 C ATOM 287 O VAL A 18 13.241 5.853 -3.726 1.00 0.00 O ATOM 288 CB VAL A 18 11.636 8.837 -3.478 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.727 9.378 -2.572 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.879 9.983 -4.125 1.00 0.00 C ATOM 0 H VAL A 18 10.738 8.553 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 18 13.271 8.172 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 18 10.925 8.264 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.288 10.051 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.218 8.551 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.459 9.922 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.471 10.633 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.557 10.555 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.065 9.585 -4.730 1.00 0.00 H new ATOM 300 N LEU A 19 11.001 5.979 -3.733 1.00 0.00 N ATOM 301 CA LEU A 19 10.808 4.655 -3.151 1.00 0.00 C ATOM 302 C LEU A 19 11.209 3.528 -4.093 1.00 0.00 C ATOM 303 O LEU A 19 11.477 2.417 -3.644 1.00 0.00 O ATOM 304 CB LEU A 19 9.351 4.463 -2.722 1.00 0.00 C ATOM 305 CG LEU A 19 8.957 5.141 -1.410 1.00 0.00 C ATOM 306 CD1 LEU A 19 7.482 4.917 -1.124 1.00 0.00 C ATOM 307 CD2 LEU A 19 9.801 4.620 -0.255 1.00 0.00 C ATOM 0 H LEU A 19 10.135 6.480 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 19 11.464 4.606 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.704 4.840 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.155 3.395 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 19 9.139 6.211 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.215 5.405 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.886 5.337 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.285 3.848 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.502 5.117 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.653 3.545 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.853 4.824 -0.452 1.00 0.00 H new ATOM 319 N GLU A 20 11.238 3.791 -5.388 1.00 0.00 N ATOM 320 CA GLU A 20 11.593 2.743 -6.333 1.00 0.00 C ATOM 321 C GLU A 20 13.041 2.317 -6.173 1.00 0.00 C ATOM 322 O GLU A 20 13.328 1.146 -5.935 1.00 0.00 O ATOM 323 CB GLU A 20 11.304 3.150 -7.783 1.00 0.00 C ATOM 324 CG GLU A 20 12.252 4.175 -8.374 1.00 0.00 C ATOM 325 CD GLU A 20 11.903 4.524 -9.808 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.697 4.606 -10.122 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.836 4.717 -10.616 1.00 0.00 O ATOM 0 H GLU A 20 11.026 4.698 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 20 10.959 1.887 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.330 2.255 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.290 3.546 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.229 5.080 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.271 3.790 -8.334 1.00 0.00 H new ATOM 334 N ARG A 21 13.943 3.266 -6.310 1.00 0.00 N ATOM 335 CA ARG A 21 15.369 2.982 -6.188 1.00 0.00 C ATOM 336 C ARG A 21 15.712 2.398 -4.821 1.00 0.00 C ATOM 337 O ARG A 21 16.376 1.365 -4.729 1.00 0.00 O ATOM 338 CB ARG A 21 16.189 4.248 -6.439 1.00 0.00 C ATOM 339 CG ARG A 21 16.077 4.771 -7.860 1.00 0.00 C ATOM 340 CD ARG A 21 17.288 4.394 -8.698 1.00 0.00 C ATOM 341 NE ARG A 21 16.903 3.827 -9.988 1.00 0.00 N ATOM 342 CZ ARG A 21 17.707 3.075 -10.736 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.941 2.801 -10.329 1.00 0.00 N ATOM 344 NH2 ARG A 21 17.276 2.597 -11.897 1.00 0.00 N ATOM 0 H ARG A 21 13.721 4.242 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 21 15.621 2.237 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.863 5.025 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.236 4.043 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.175 4.372 -8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.972 5.856 -7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.907 5.277 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.897 3.674 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 21 15.963 4.019 -10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.278 3.167 -9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.552 2.224 -10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.330 2.806 -12.215 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.891 2.021 -12.471 1.00 0.00 H new ATOM 358 N ALA A 22 15.271 3.065 -3.761 1.00 0.00 N ATOM 359 CA ALA A 22 15.552 2.604 -2.405 1.00 0.00 C ATOM 360 C ALA A 22 15.027 1.201 -2.167 1.00 0.00 C ATOM 361 O ALA A 22 15.761 0.320 -1.719 1.00 0.00 O ATOM 362 CB ALA A 22 14.976 3.570 -1.380 1.00 0.00 C ATOM 0 H ALA A 22 14.720 3.922 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 22 16.635 2.574 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.196 3.209 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.422 4.555 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.896 3.639 -1.512 1.00 0.00 H new ATOM 368 N LEU A 23 13.760 0.993 -2.471 1.00 0.00 N ATOM 369 CA LEU A 23 13.147 -0.316 -2.289 1.00 0.00 C ATOM 370 C LEU A 23 13.752 -1.325 -3.258 1.00 0.00 C ATOM 371 O LEU A 23 13.733 -2.536 -3.010 1.00 0.00 O ATOM 372 CB LEU A 23 11.632 -0.239 -2.463 1.00 0.00 C ATOM 373 CG LEU A 23 10.817 -0.872 -1.337 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.345 -0.519 -1.481 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.008 -2.381 -1.332 1.00 0.00 C ATOM 0 H LEU A 23 13.135 1.708 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 23 13.350 -0.650 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.345 0.809 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.365 -0.725 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 23 11.172 -0.475 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.780 -0.979 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.225 0.564 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.974 -0.889 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.422 -2.819 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.677 -2.793 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.062 -2.614 -1.182 1.00 0.00 H new ATOM 387 N ALA A 24 14.323 -0.825 -4.352 1.00 0.00 N ATOM 388 CA ALA A 24 14.965 -1.697 -5.316 1.00 0.00 C ATOM 389 C ALA A 24 16.193 -2.317 -4.672 1.00 0.00 C ATOM 390 O ALA A 24 16.521 -3.478 -4.919 1.00 0.00 O ATOM 391 CB ALA A 24 15.340 -0.940 -6.584 1.00 0.00 C ATOM 0 H ALA A 24 14.351 0.167 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 24 14.268 -2.483 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.819 -1.622 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.441 -0.524 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.028 -0.132 -6.335 1.00 0.00 H new ATOM 397 N GLY A 25 16.853 -1.538 -3.813 1.00 0.00 N ATOM 398 CA GLY A 25 18.017 -2.041 -3.116 1.00 0.00 C ATOM 399 C GLY A 25 17.667 -3.252 -2.280 1.00 0.00 C ATOM 400 O GLY A 25 18.505 -4.124 -2.048 1.00 0.00 O ATOM 0 H GLY A 25 16.600 -0.575 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.791 -2.304 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.428 -1.260 -2.477 1.00 0.00 H new ATOM 404 N ALA A 26 16.411 -3.310 -1.840 1.00 0.00 N ATOM 405 CA ALA A 26 15.930 -4.424 -1.044 1.00 0.00 C ATOM 406 C ALA A 26 15.674 -5.643 -1.929 1.00 0.00 C ATOM 407 O ALA A 26 15.564 -6.767 -1.440 1.00 0.00 O ATOM 408 CB ALA A 26 14.666 -4.029 -0.291 1.00 0.00 C ATOM 0 H ALA A 26 15.710 -2.592 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 26 16.696 -4.688 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.316 -4.874 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.883 -3.188 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.893 -3.741 -1.004 1.00 0.00 H new ATOM 414 N GLY A 27 15.611 -5.411 -3.242 1.00 0.00 N ATOM 415 CA GLY A 27 15.402 -6.496 -4.183 1.00 0.00 C ATOM 416 C GLY A 27 13.952 -6.704 -4.586 1.00 0.00 C ATOM 417 O GLY A 27 13.580 -7.806 -4.986 1.00 0.00 O ATOM 0 H GLY A 27 15.702 -4.488 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.992 -6.303 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.781 -7.419 -3.745 1.00 0.00 H new ATOM 421 N LEU A 28 13.119 -5.666 -4.484 1.00 0.00 N ATOM 422 CA LEU A 28 11.716 -5.803 -4.850 1.00 0.00 C ATOM 423 C LEU A 28 11.292 -4.823 -5.944 1.00 0.00 C ATOM 424 O LEU A 28 11.944 -3.805 -6.176 1.00 0.00 O ATOM 425 CB LEU A 28 10.831 -5.638 -3.619 1.00 0.00 C ATOM 426 CG LEU A 28 11.441 -6.196 -2.338 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.228 -5.133 -1.605 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.371 -6.816 -1.452 1.00 0.00 C ATOM 0 H LEU A 28 13.389 -4.739 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 28 11.590 -6.806 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.618 -4.579 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.877 -6.133 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 28 12.139 -6.988 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.652 -5.557 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.032 -4.769 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.568 -4.305 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.831 -7.207 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.634 -6.058 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.880 -7.628 -1.988 1.00 0.00 H new ATOM 440 N THR A 29 10.184 -5.155 -6.612 1.00 0.00 N ATOM 441 CA THR A 29 9.643 -4.326 -7.689 1.00 0.00 C ATOM 442 C THR A 29 8.834 -3.167 -7.114 1.00 0.00 C ATOM 443 O THR A 29 7.941 -3.371 -6.297 1.00 0.00 O ATOM 444 CB THR A 29 8.769 -5.171 -8.621 1.00 0.00 C ATOM 445 OG1 THR A 29 9.549 -6.141 -9.296 1.00 0.00 O ATOM 446 CG2 THR A 29 8.044 -4.358 -9.674 1.00 0.00 C ATOM 0 H THR A 29 9.642 -5.998 -6.423 1.00 0.00 H new ATOM 0 HA THR A 29 10.475 -3.918 -8.263 1.00 0.00 H new ATOM 0 HB THR A 29 8.028 -5.636 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.973 -6.672 -9.885 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.445 -5.022 -10.297 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.393 -3.631 -9.188 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.772 -3.836 -10.295 1.00 0.00 H new ATOM 454 N CYS A 30 9.169 -1.954 -7.533 1.00 0.00 N ATOM 455 CA CYS A 30 8.498 -0.754 -7.038 1.00 0.00 C ATOM 456 C CYS A 30 7.758 -0.009 -8.147 1.00 0.00 C ATOM 457 O CYS A 30 8.378 0.642 -8.990 1.00 0.00 O ATOM 458 CB CYS A 30 9.530 0.173 -6.404 1.00 0.00 C ATOM 459 SG CYS A 30 11.050 -0.657 -5.879 1.00 0.00 S ATOM 0 H CYS A 30 9.904 -1.772 -8.217 1.00 0.00 H new ATOM 0 HA CYS A 30 7.758 -1.066 -6.301 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.785 0.956 -7.118 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.080 0.663 -5.540 1.00 0.00 H new ATOM 0 HG CYS A 30 12.073 0.094 -6.159 1.00 0.00 H new ATOM 465 N THR A 31 6.431 -0.076 -8.119 1.00 0.00 N ATOM 466 CA THR A 31 5.612 0.626 -9.100 1.00 0.00 C ATOM 467 C THR A 31 4.535 1.413 -8.358 1.00 0.00 C ATOM 468 O THR A 31 4.016 0.945 -7.344 1.00 0.00 O ATOM 469 CB THR A 31 4.983 -0.352 -10.107 1.00 0.00 C ATOM 470 OG1 THR A 31 4.627 0.329 -11.296 1.00 0.00 O ATOM 471 CG2 THR A 31 3.725 -1.029 -9.611 1.00 0.00 C ATOM 0 H THR A 31 5.901 -0.608 -7.429 1.00 0.00 H new ATOM 0 HA THR A 31 6.240 1.309 -9.672 1.00 0.00 H new ATOM 0 HB THR A 31 5.748 -1.111 -10.269 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.229 -0.304 -11.929 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.346 -1.701 -10.381 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.950 -1.599 -8.710 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.971 -0.275 -9.385 1.00 0.00 H new ATOM 479 N THR A 32 4.218 2.612 -8.828 1.00 0.00 N ATOM 480 CA THR A 32 3.222 3.434 -8.148 1.00 0.00 C ATOM 481 C THR A 32 1.987 3.688 -8.998 1.00 0.00 C ATOM 482 O THR A 32 1.992 3.500 -10.214 1.00 0.00 O ATOM 483 CB THR A 32 3.832 4.759 -7.706 1.00 0.00 C ATOM 484 OG1 THR A 32 4.277 5.513 -8.821 1.00 0.00 O ATOM 485 CG2 THR A 32 5.001 4.580 -6.762 1.00 0.00 C ATOM 0 H THR A 32 4.627 3.033 -9.662 1.00 0.00 H new ATOM 0 HA THR A 32 2.900 2.870 -7.272 1.00 0.00 H new ATOM 0 HB THR A 32 3.036 5.288 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.503 5.860 -9.311 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.395 5.557 -6.481 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.669 4.052 -5.868 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.782 4.002 -7.256 1.00 0.00 H new ATOM 493 N PHE A 33 0.921 4.105 -8.322 1.00 0.00 N ATOM 494 CA PHE A 33 -0.355 4.381 -8.962 1.00 0.00 C ATOM 495 C PHE A 33 -0.951 5.695 -8.430 1.00 0.00 C ATOM 496 O PHE A 33 -0.383 6.317 -7.526 1.00 0.00 O ATOM 497 CB PHE A 33 -1.305 3.195 -8.770 1.00 0.00 C ATOM 498 CG PHE A 33 -0.708 1.875 -9.172 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.364 1.347 -8.472 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.215 1.166 -10.248 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.920 0.139 -8.835 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.664 -0.048 -10.616 1.00 0.00 C ATOM 503 CZ PHE A 33 0.406 -0.562 -9.908 1.00 0.00 C ATOM 0 H PHE A 33 0.920 4.260 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.202 4.510 -10.033 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.604 3.145 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.210 3.367 -9.352 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.770 1.889 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.049 1.565 -10.806 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.757 -0.259 -8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.069 -0.594 -11.455 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.839 -1.509 -10.193 1.00 0.00 H new ATOM 513 N GLU A 34 -2.058 6.143 -9.025 1.00 0.00 N ATOM 514 CA GLU A 34 -2.680 7.416 -8.648 1.00 0.00 C ATOM 515 C GLU A 34 -3.184 7.457 -7.203 1.00 0.00 C ATOM 516 O GLU A 34 -2.758 8.317 -6.432 1.00 0.00 O ATOM 517 CB GLU A 34 -3.838 7.733 -9.597 1.00 0.00 C ATOM 518 CG GLU A 34 -4.893 6.640 -9.666 1.00 0.00 C ATOM 519 CD GLU A 34 -6.145 6.961 -8.874 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.421 8.159 -8.655 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.849 6.007 -8.472 1.00 0.00 O ATOM 0 H GLU A 34 -2.543 5.644 -9.770 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.895 8.168 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.311 8.662 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.439 7.904 -10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.164 6.472 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.466 5.709 -9.294 1.00 0.00 H new ATOM 528 N ASN A 35 -4.099 6.566 -6.831 1.00 0.00 N ATOM 529 CA ASN A 35 -4.633 6.578 -5.476 1.00 0.00 C ATOM 530 C ASN A 35 -5.069 5.196 -5.022 1.00 0.00 C ATOM 531 O ASN A 35 -4.558 4.662 -4.036 1.00 0.00 O ATOM 532 CB ASN A 35 -5.807 7.553 -5.381 1.00 0.00 C ATOM 533 CG ASN A 35 -5.617 8.590 -4.292 1.00 0.00 C ATOM 534 OD1 ASN A 35 -6.321 8.416 -3.178 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -4.849 9.539 -4.449 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.480 5.840 -7.438 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.832 6.905 -4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.934 8.057 -6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.724 6.995 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.328 9.634 -5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.734 10.230 -3.708 1.00 0.00 H new ATOM 542 N GLY A 36 -6.021 4.629 -5.734 1.00 0.00 N ATOM 543 CA GLY A 36 -6.518 3.318 -5.376 1.00 0.00 C ATOM 544 C GLY A 36 -7.065 2.537 -6.550 1.00 0.00 C ATOM 545 O GLY A 36 -6.629 1.417 -6.806 1.00 0.00 O ATOM 0 H GLY A 36 -6.461 5.049 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.713 2.747 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.302 3.428 -4.626 1.00 0.00 H new ATOM 549 N ASN A 37 -8.027 3.115 -7.264 1.00 0.00 N ATOM 550 CA ASN A 37 -8.626 2.430 -8.403 1.00 0.00 C ATOM 551 C ASN A 37 -7.561 1.986 -9.394 1.00 0.00 C ATOM 552 O ASN A 37 -7.721 0.978 -10.085 1.00 0.00 O ATOM 553 CB ASN A 37 -9.673 3.310 -9.089 1.00 0.00 C ATOM 554 CG ASN A 37 -11.079 2.750 -8.938 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.378 2.197 -7.764 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.888 2.815 -9.865 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.404 4.044 -7.077 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.130 1.540 -8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.636 4.314 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.431 3.401 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.618 3.247 -10.748 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.828 2.437 -9.749 1.00 0.00 H new ATOM 563 N GLU A 38 -6.467 2.731 -9.452 1.00 0.00 N ATOM 564 CA GLU A 38 -5.380 2.391 -10.353 1.00 0.00 C ATOM 565 C GLU A 38 -4.790 1.027 -9.996 1.00 0.00 C ATOM 566 O GLU A 38 -4.830 0.109 -10.816 1.00 0.00 O ATOM 567 CB GLU A 38 -4.314 3.475 -10.325 1.00 0.00 C ATOM 568 CG GLU A 38 -3.426 3.499 -11.561 1.00 0.00 C ATOM 569 CD GLU A 38 -3.746 4.663 -12.481 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.857 4.681 -13.051 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.886 5.556 -12.630 1.00 0.00 O ATOM 0 H GLU A 38 -6.310 3.568 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.774 2.328 -11.367 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.799 4.445 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.689 3.334 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.382 3.559 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.544 2.564 -12.108 1.00 0.00 H new ATOM 578 N VAL A 39 -4.252 0.871 -8.773 1.00 0.00 N ATOM 579 CA VAL A 39 -3.688 -0.425 -8.382 1.00 0.00 C ATOM 580 C VAL A 39 -4.651 -1.562 -8.691 1.00 0.00 C ATOM 581 O VAL A 39 -4.242 -2.613 -9.183 1.00 0.00 O ATOM 582 CB VAL A 39 -3.350 -0.491 -6.886 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.599 -1.778 -6.564 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.548 0.719 -6.469 1.00 0.00 C ATOM 0 H VAL A 39 -4.198 1.601 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.772 -0.533 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.282 -0.491 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.368 -1.808 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.219 -2.636 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.673 -1.812 -7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.318 0.654 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.620 0.755 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.127 1.623 -6.661 1.00 0.00 H new ATOM 594 N LEU A 40 -5.932 -1.348 -8.397 1.00 0.00 N ATOM 595 CA LEU A 40 -6.952 -2.371 -8.645 1.00 0.00 C ATOM 596 C LEU A 40 -6.773 -2.976 -10.031 1.00 0.00 C ATOM 597 O LEU A 40 -6.796 -4.195 -10.199 1.00 0.00 O ATOM 598 CB LEU A 40 -8.361 -1.788 -8.528 1.00 0.00 C ATOM 599 CG LEU A 40 -8.640 -0.974 -7.266 1.00 0.00 C ATOM 600 CD1 LEU A 40 -10.075 -0.477 -7.274 1.00 0.00 C ATOM 601 CD2 LEU A 40 -8.372 -1.798 -6.016 1.00 0.00 C ATOM 0 H LEU A 40 -6.289 -0.483 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.829 -3.147 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.545 -1.153 -9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.078 -2.607 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.967 -0.116 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.264 0.102 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.237 0.152 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.755 -1.328 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.578 -1.195 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.017 -2.677 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.329 -2.113 -6.005 1.00 0.00 H new ATOM 613 N ALA A 41 -6.585 -2.110 -11.021 1.00 0.00 N ATOM 614 CA ALA A 41 -6.390 -2.552 -12.395 1.00 0.00 C ATOM 615 C ALA A 41 -5.207 -3.499 -12.487 1.00 0.00 C ATOM 616 O ALA A 41 -5.287 -4.564 -13.097 1.00 0.00 O ATOM 617 CB ALA A 41 -6.180 -1.355 -13.309 1.00 0.00 C ATOM 0 H ALA A 41 -6.564 -1.098 -10.896 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.285 -3.085 -12.717 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.036 -1.700 -14.333 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.054 -0.706 -13.265 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.299 -0.800 -12.985 1.00 0.00 H new ATOM 623 N ALA A 42 -4.114 -3.093 -11.868 1.00 0.00 N ATOM 624 CA ALA A 42 -2.896 -3.887 -11.855 1.00 0.00 C ATOM 625 C ALA A 42 -3.084 -5.162 -11.041 1.00 0.00 C ATOM 626 O ALA A 42 -2.622 -6.235 -11.430 1.00 0.00 O ATOM 627 CB ALA A 42 -1.738 -3.070 -11.303 1.00 0.00 C ATOM 0 H ALA A 42 -4.044 -2.210 -11.363 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.665 -4.172 -12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.833 -3.678 -11.299 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.582 -2.191 -11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.968 -2.755 -10.285 1.00 0.00 H new ATOM 633 N LEU A 43 -3.764 -5.036 -9.906 1.00 0.00 N ATOM 634 CA LEU A 43 -4.011 -6.178 -9.035 1.00 0.00 C ATOM 635 C LEU A 43 -4.928 -7.192 -9.704 1.00 0.00 C ATOM 636 O LEU A 43 -4.848 -8.391 -9.435 1.00 0.00 O ATOM 637 CB LEU A 43 -4.620 -5.720 -7.711 1.00 0.00 C ATOM 638 CG LEU A 43 -3.614 -5.241 -6.674 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.321 -4.516 -5.541 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.826 -6.423 -6.147 1.00 0.00 C ATOM 0 H LEU A 43 -4.153 -4.156 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.053 -6.659 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.325 -4.913 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.192 -6.545 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.925 -4.539 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.586 -4.181 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.856 -3.654 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.028 -5.193 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.106 -6.078 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.507 -7.139 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.297 -6.903 -6.970 1.00 0.00 H new ATOM 652 N ALA A 44 -5.794 -6.702 -10.576 1.00 0.00 N ATOM 653 CA ALA A 44 -6.730 -7.560 -11.289 1.00 0.00 C ATOM 654 C ALA A 44 -5.995 -8.602 -12.127 1.00 0.00 C ATOM 655 O ALA A 44 -6.570 -9.620 -12.510 1.00 0.00 O ATOM 656 CB ALA A 44 -7.645 -6.723 -12.168 1.00 0.00 C ATOM 0 H ALA A 44 -5.869 -5.712 -10.809 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.334 -8.088 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.340 -7.376 -12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.205 -6.023 -11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.047 -6.169 -12.892 1.00 0.00 H new ATOM 662 N SER A 45 -4.725 -8.338 -12.418 1.00 0.00 N ATOM 663 CA SER A 45 -3.923 -9.245 -13.218 1.00 0.00 C ATOM 664 C SER A 45 -2.651 -9.687 -12.489 1.00 0.00 C ATOM 665 O SER A 45 -1.856 -10.450 -13.040 1.00 0.00 O ATOM 666 CB SER A 45 -3.556 -8.588 -14.548 1.00 0.00 C ATOM 667 OG SER A 45 -2.879 -9.498 -15.398 1.00 0.00 O ATOM 0 H SER A 45 -4.232 -7.500 -12.109 1.00 0.00 H new ATOM 0 HA SER A 45 -4.525 -10.135 -13.400 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.459 -8.229 -15.041 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.925 -7.718 -14.365 1.00 0.00 H new ATOM 0 HG SER A 45 -2.426 -10.177 -14.856 1.00 0.00 H new ATOM 673 N LYS A 46 -2.455 -9.214 -11.259 1.00 0.00 N ATOM 674 CA LYS A 46 -1.269 -9.582 -10.493 1.00 0.00 C ATOM 675 C LYS A 46 -1.442 -9.240 -9.017 1.00 0.00 C ATOM 676 O LYS A 46 -2.351 -8.508 -8.638 1.00 0.00 O ATOM 677 CB LYS A 46 -0.028 -8.907 -11.108 1.00 0.00 C ATOM 678 CG LYS A 46 1.005 -8.386 -10.134 1.00 0.00 C ATOM 679 CD LYS A 46 2.006 -9.433 -9.752 1.00 0.00 C ATOM 680 CE LYS A 46 3.230 -9.401 -10.652 1.00 0.00 C ATOM 681 NZ LYS A 46 3.137 -10.407 -11.745 1.00 0.00 N ATOM 0 H LYS A 46 -3.095 -8.582 -10.777 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.126 -10.661 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.458 -9.623 -11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.363 -8.076 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.523 -7.536 -10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.504 -8.021 -9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.312 -9.282 -8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.541 -10.417 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.339 -8.405 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.124 -9.591 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.027 -10.943 -11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.351 -11.060 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.968 -9.922 -12.650 1.00 0.00 H new ATOM 695 N THR A 47 -0.566 -9.791 -8.191 1.00 0.00 N ATOM 696 CA THR A 47 -0.617 -9.562 -6.754 1.00 0.00 C ATOM 697 C THR A 47 0.781 -9.351 -6.170 1.00 0.00 C ATOM 698 O THR A 47 1.600 -10.270 -6.170 1.00 0.00 O ATOM 699 CB THR A 47 -1.301 -10.743 -6.055 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.660 -10.836 -6.443 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.263 -10.658 -4.541 1.00 0.00 C ATOM 0 H THR A 47 0.192 -10.403 -8.492 1.00 0.00 H new ATOM 0 HA THR A 47 -1.195 -8.654 -6.582 1.00 0.00 H new ATOM 0 HB THR A 47 -0.736 -11.622 -6.365 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.079 -11.596 -5.988 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.765 -11.527 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.227 -10.637 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.770 -9.750 -4.215 1.00 0.00 H new ATOM 709 N PRO A 48 1.077 -8.143 -5.651 1.00 0.00 N ATOM 710 CA PRO A 48 2.382 -7.850 -5.059 1.00 0.00 C ATOM 711 C PRO A 48 2.517 -8.435 -3.656 1.00 0.00 C ATOM 712 O PRO A 48 1.526 -8.811 -3.034 1.00 0.00 O ATOM 713 CB PRO A 48 2.398 -6.324 -5.002 1.00 0.00 C ATOM 714 CG PRO A 48 0.969 -5.946 -4.833 1.00 0.00 C ATOM 715 CD PRO A 48 0.172 -6.974 -5.594 1.00 0.00 C ATOM 0 HA PRO A 48 3.204 -8.281 -5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.005 -5.964 -4.172 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.817 -5.897 -5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.690 -5.938 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.783 -4.944 -5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.762 -7.214 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.090 -6.621 -6.591 1.00 0.00 H new ATOM 723 N ASP A 49 3.747 -8.505 -3.160 1.00 0.00 N ATOM 724 CA ASP A 49 3.997 -9.041 -1.828 1.00 0.00 C ATOM 725 C ASP A 49 3.651 -8.003 -0.763 1.00 0.00 C ATOM 726 O ASP A 49 3.229 -8.343 0.342 1.00 0.00 O ATOM 727 CB ASP A 49 5.461 -9.471 -1.690 1.00 0.00 C ATOM 728 CG ASP A 49 5.786 -10.699 -2.518 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.154 -10.538 -3.702 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.673 -11.823 -1.983 1.00 0.00 O ATOM 0 H ASP A 49 4.583 -8.199 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 49 3.362 -9.915 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.108 -8.649 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.679 -9.675 -0.642 1.00 0.00 H new ATOM 735 N VAL A 50 3.826 -6.734 -1.115 1.00 0.00 N ATOM 736 CA VAL A 50 3.532 -5.625 -0.216 1.00 0.00 C ATOM 737 C VAL A 50 2.997 -4.449 -1.029 1.00 0.00 C ATOM 738 O VAL A 50 3.348 -4.295 -2.199 1.00 0.00 O ATOM 739 CB VAL A 50 4.792 -5.212 0.577 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.963 -4.967 -0.363 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.530 -3.991 1.450 1.00 0.00 C ATOM 0 H VAL A 50 4.175 -6.446 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 50 2.777 -5.939 0.505 1.00 0.00 H new ATOM 0 HB VAL A 50 5.051 -6.038 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.840 -4.677 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.180 -5.879 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.709 -4.169 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.439 -3.730 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.229 -3.153 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.735 -4.216 2.161 1.00 0.00 H new ATOM 751 N LEU A 51 2.123 -3.639 -0.437 1.00 0.00 N ATOM 752 CA LEU A 51 1.541 -2.518 -1.169 1.00 0.00 C ATOM 753 C LEU A 51 1.127 -1.373 -0.244 1.00 0.00 C ATOM 754 O LEU A 51 0.682 -1.590 0.884 1.00 0.00 O ATOM 755 CB LEU A 51 0.336 -3.021 -1.977 1.00 0.00 C ATOM 756 CG LEU A 51 -0.565 -1.944 -2.595 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.308 -1.825 -4.086 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.029 -2.266 -2.340 1.00 0.00 C ATOM 0 H LEU A 51 1.807 -3.734 0.528 1.00 0.00 H new ATOM 0 HA LEU A 51 2.301 -2.117 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.705 -3.660 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.275 -3.646 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.329 -0.989 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.956 -1.056 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.734 -1.553 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.517 -2.780 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.655 -1.492 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.272 -3.230 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.211 -2.307 -1.266 1.00 0.00 H new ATOM 770 N LEU A 52 1.275 -0.154 -0.756 1.00 0.00 N ATOM 771 CA LEU A 52 0.918 1.059 -0.025 1.00 0.00 C ATOM 772 C LEU A 52 -0.080 1.869 -0.849 1.00 0.00 C ATOM 773 O LEU A 52 0.216 2.223 -1.984 1.00 0.00 O ATOM 774 CB LEU A 52 2.170 1.901 0.227 1.00 0.00 C ATOM 775 CG LEU A 52 3.176 1.311 1.219 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.571 1.246 0.607 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.200 2.134 2.494 1.00 0.00 C ATOM 0 H LEU A 52 1.646 0.021 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 52 0.471 0.786 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.676 2.060 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.860 2.881 0.591 1.00 0.00 H new ATOM 0 HG LEU A 52 2.862 0.295 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.267 0.823 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.549 0.618 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.896 2.250 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.919 1.704 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.489 3.159 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.209 2.131 2.948 1.00 0.00 H new ATOM 789 N SER A 53 -1.262 2.149 -0.299 1.00 0.00 N ATOM 790 CA SER A 53 -2.276 2.900 -1.046 1.00 0.00 C ATOM 791 C SER A 53 -2.520 4.296 -0.470 1.00 0.00 C ATOM 792 O SER A 53 -2.371 4.528 0.729 1.00 0.00 O ATOM 793 CB SER A 53 -3.588 2.115 -1.083 1.00 0.00 C ATOM 794 OG SER A 53 -4.280 2.335 -2.300 1.00 0.00 O ATOM 0 H SER A 53 -1.540 1.874 0.643 1.00 0.00 H new ATOM 0 HA SER A 53 -1.893 3.033 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.382 1.051 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.217 2.413 -0.244 1.00 0.00 H new ATOM 0 HG SER A 53 -4.141 3.260 -2.593 1.00 0.00 H new ATOM 800 N ASP A 54 -2.904 5.224 -1.351 1.00 0.00 N ATOM 801 CA ASP A 54 -3.178 6.599 -0.949 1.00 0.00 C ATOM 802 C ASP A 54 -4.536 6.722 -0.277 1.00 0.00 C ATOM 803 O ASP A 54 -5.337 5.788 -0.281 1.00 0.00 O ATOM 804 CB ASP A 54 -3.125 7.544 -2.152 1.00 0.00 C ATOM 805 CG ASP A 54 -2.734 8.953 -1.750 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.344 9.146 -0.578 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.821 9.861 -2.602 1.00 0.00 O ATOM 0 H ASP A 54 -3.031 5.044 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.404 6.881 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.410 7.163 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.099 7.563 -2.641 1.00 0.00 H new ATOM 812 N ILE A 55 -4.776 7.887 0.308 1.00 0.00 N ATOM 813 CA ILE A 55 -6.019 8.162 1.003 1.00 0.00 C ATOM 814 C ILE A 55 -6.433 9.621 0.797 1.00 0.00 C ATOM 815 O ILE A 55 -5.637 10.429 0.333 1.00 0.00 O ATOM 816 CB ILE A 55 -5.862 7.836 2.506 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.951 8.496 3.361 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.484 8.256 2.986 1.00 0.00 C ATOM 819 CD1 ILE A 55 -6.840 8.176 4.835 1.00 0.00 C ATOM 0 H ILE A 55 -4.115 8.664 0.313 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.806 7.529 0.593 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.975 6.758 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.901 9.577 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.928 8.175 3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.381 8.023 4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.722 7.719 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.358 9.328 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.642 8.676 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.920 7.099 4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.877 8.522 5.211 1.00 0.00 H new ATOM 831 N ARG A 56 -7.686 9.932 1.131 1.00 0.00 N ATOM 832 CA ARG A 56 -8.241 11.280 0.982 1.00 0.00 C ATOM 833 C ARG A 56 -8.321 11.688 -0.489 1.00 0.00 C ATOM 834 O ARG A 56 -7.663 12.628 -0.936 1.00 0.00 O ATOM 835 CB ARG A 56 -7.458 12.312 1.818 1.00 0.00 C ATOM 836 CG ARG A 56 -6.121 12.748 1.231 1.00 0.00 C ATOM 837 CD ARG A 56 -5.982 14.262 1.220 1.00 0.00 C ATOM 838 NE ARG A 56 -5.683 14.797 2.546 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.269 16.044 2.766 1.00 0.00 C ATOM 840 NH1 ARG A 56 -5.096 16.881 1.752 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.027 16.452 4.004 1.00 0.00 N ATOM 0 H ARG A 56 -8.347 9.256 1.513 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.259 11.260 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.082 13.195 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.282 11.893 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.308 12.312 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.027 12.366 0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.190 14.548 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.905 14.708 0.850 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.798 14.180 3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.280 16.571 0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.779 17.835 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.158 15.811 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.710 17.407 4.174 1.00 0.00 H new ATOM 855 N MET A 57 -9.159 10.972 -1.232 1.00 0.00 N ATOM 856 CA MET A 57 -9.362 11.244 -2.651 1.00 0.00 C ATOM 857 C MET A 57 -10.710 10.683 -3.123 1.00 0.00 C ATOM 858 O MET A 57 -11.586 11.444 -3.532 1.00 0.00 O ATOM 859 CB MET A 57 -8.206 10.670 -3.481 1.00 0.00 C ATOM 860 CG MET A 57 -7.942 11.431 -4.770 1.00 0.00 C ATOM 861 SD MET A 57 -8.515 10.539 -6.230 1.00 0.00 S ATOM 862 CE MET A 57 -9.372 11.844 -7.106 1.00 0.00 C ATOM 0 H MET A 57 -9.712 10.194 -0.872 1.00 0.00 H new ATOM 0 HA MET A 57 -9.378 12.324 -2.796 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.300 10.673 -2.876 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.425 9.630 -3.722 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.437 12.401 -4.723 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.873 11.623 -4.862 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.784 11.449 -8.034 1.00 0.00 H new ATOM 0 HE2 MET A 57 -10.181 12.229 -6.485 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.674 12.649 -7.333 1.00 0.00 H new ATOM 872 N PRO A 58 -10.906 9.348 -3.066 1.00 0.00 N ATOM 873 CA PRO A 58 -12.168 8.715 -3.484 1.00 0.00 C ATOM 874 C PRO A 58 -13.322 9.036 -2.533 1.00 0.00 C ATOM 875 O PRO A 58 -13.281 10.029 -1.808 1.00 0.00 O ATOM 876 CB PRO A 58 -11.839 7.222 -3.432 1.00 0.00 C ATOM 877 CG PRO A 58 -10.783 7.127 -2.393 1.00 0.00 C ATOM 878 CD PRO A 58 -9.932 8.344 -2.590 1.00 0.00 C ATOM 0 HA PRO A 58 -12.499 9.065 -4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.714 6.629 -3.168 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.485 6.857 -4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.215 7.106 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.198 6.214 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.450 8.655 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.140 8.171 -3.319 1.00 0.00 H new ATOM 886 N GLY A 59 -14.351 8.189 -2.541 1.00 0.00 N ATOM 887 CA GLY A 59 -15.497 8.402 -1.677 1.00 0.00 C ATOM 888 C GLY A 59 -15.151 8.329 -0.202 1.00 0.00 C ATOM 889 O GLY A 59 -15.123 9.350 0.485 1.00 0.00 O ATOM 0 H GLY A 59 -14.409 7.359 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.932 9.377 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.259 7.656 -1.903 1.00 0.00 H new ATOM 893 N MET A 60 -14.893 7.120 0.292 1.00 0.00 N ATOM 894 CA MET A 60 -14.554 6.920 1.701 1.00 0.00 C ATOM 895 C MET A 60 -13.156 7.456 2.014 1.00 0.00 C ATOM 896 O MET A 60 -12.285 6.719 2.485 1.00 0.00 O ATOM 897 CB MET A 60 -14.640 5.431 2.054 1.00 0.00 C ATOM 898 CG MET A 60 -15.382 5.149 3.349 1.00 0.00 C ATOM 899 SD MET A 60 -15.452 3.387 3.731 1.00 0.00 S ATOM 900 CE MET A 60 -17.191 3.193 4.105 1.00 0.00 C ATOM 0 H MET A 60 -14.912 6.264 -0.262 1.00 0.00 H new ATOM 0 HA MET A 60 -15.271 7.475 2.306 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.136 4.902 1.240 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.631 5.026 2.129 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.892 5.676 4.168 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.396 5.543 3.277 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.394 2.153 4.361 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.456 3.833 4.947 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.784 3.475 3.235 1.00 0.00 H new ATOM 910 N ASP A 61 -12.952 8.744 1.743 1.00 0.00 N ATOM 911 CA ASP A 61 -11.670 9.398 1.978 1.00 0.00 C ATOM 912 C ASP A 61 -10.558 8.674 1.236 1.00 0.00 C ATOM 913 O ASP A 61 -10.105 9.120 0.189 1.00 0.00 O ATOM 914 CB ASP A 61 -11.351 9.452 3.475 1.00 0.00 C ATOM 915 CG ASP A 61 -11.158 10.872 3.974 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.102 11.679 3.847 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.062 11.175 4.491 1.00 0.00 O ATOM 0 H ASP A 61 -13.668 9.359 1.356 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.740 10.419 1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.160 8.980 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.448 8.874 3.672 1.00 0.00 H new ATOM 922 N GLY A 62 -10.128 7.552 1.788 1.00 0.00 N ATOM 923 CA GLY A 62 -9.076 6.770 1.174 1.00 0.00 C ATOM 924 C GLY A 62 -9.229 5.289 1.440 1.00 0.00 C ATOM 925 O GLY A 62 -8.848 4.458 0.615 1.00 0.00 O ATOM 0 H GLY A 62 -10.492 7.165 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.077 6.945 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.110 7.106 1.551 1.00 0.00 H new ATOM 929 N LEU A 63 -9.790 4.955 2.597 1.00 0.00 N ATOM 930 CA LEU A 63 -9.991 3.566 2.966 1.00 0.00 C ATOM 931 C LEU A 63 -10.932 2.880 1.982 1.00 0.00 C ATOM 932 O LEU A 63 -10.976 1.652 1.905 1.00 0.00 O ATOM 933 CB LEU A 63 -10.520 3.457 4.397 1.00 0.00 C ATOM 934 CG LEU A 63 -9.812 4.357 5.415 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.517 5.699 5.533 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.718 3.670 6.768 1.00 0.00 C ATOM 0 H LEU A 63 -10.112 5.629 3.292 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.028 3.057 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.583 3.700 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.430 2.421 4.725 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.798 4.541 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.996 6.321 6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.515 6.197 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.545 5.542 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.212 4.327 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.720 3.447 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.154 2.743 6.667 1.00 0.00 H new ATOM 948 N ALA A 64 -11.670 3.678 1.209 1.00 0.00 N ATOM 949 CA ALA A 64 -12.581 3.130 0.217 1.00 0.00 C ATOM 950 C ALA A 64 -11.812 2.285 -0.791 1.00 0.00 C ATOM 951 O ALA A 64 -12.287 1.239 -1.236 1.00 0.00 O ATOM 952 CB ALA A 64 -13.327 4.251 -0.488 1.00 0.00 C ATOM 0 H ALA A 64 -11.652 4.697 1.254 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.309 2.494 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.006 3.827 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.898 4.824 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.613 4.907 -0.985 1.00 0.00 H new ATOM 958 N LEU A 65 -10.613 2.746 -1.140 1.00 0.00 N ATOM 959 CA LEU A 65 -9.763 2.037 -2.089 1.00 0.00 C ATOM 960 C LEU A 65 -9.409 0.654 -1.565 1.00 0.00 C ATOM 961 O LEU A 65 -9.370 -0.319 -2.318 1.00 0.00 O ATOM 962 CB LEU A 65 -8.483 2.832 -2.358 1.00 0.00 C ATOM 963 CG LEU A 65 -8.697 4.306 -2.705 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.369 5.047 -2.767 1.00 0.00 C ATOM 965 CD2 LEU A 65 -9.452 4.439 -4.022 1.00 0.00 C ATOM 0 H LEU A 65 -10.209 3.610 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.316 1.927 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.844 2.771 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.943 2.356 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.298 4.759 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.547 6.093 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.871 4.984 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.736 4.596 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.596 5.494 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.878 3.967 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.423 3.951 -3.936 1.00 0.00 H new ATOM 977 N LEU A 66 -9.159 0.574 -0.264 1.00 0.00 N ATOM 978 CA LEU A 66 -8.814 -0.691 0.373 1.00 0.00 C ATOM 979 C LEU A 66 -9.891 -1.729 0.094 1.00 0.00 C ATOM 980 O LEU A 66 -9.596 -2.881 -0.222 1.00 0.00 O ATOM 981 CB LEU A 66 -8.650 -0.499 1.881 1.00 0.00 C ATOM 982 CG LEU A 66 -7.342 0.166 2.314 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.148 -0.636 1.821 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.271 1.597 1.800 1.00 0.00 C ATOM 0 H LEU A 66 -9.189 1.371 0.372 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.869 -1.042 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.483 0.101 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.722 -1.473 2.365 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.315 0.191 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.226 -0.148 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.188 -1.642 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.172 -0.693 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.333 2.052 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.322 1.595 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.107 2.170 2.201 1.00 0.00 H new ATOM 996 N LYS A 67 -11.144 -1.303 0.207 1.00 0.00 N ATOM 997 CA LYS A 67 -12.275 -2.185 -0.040 1.00 0.00 C ATOM 998 C LYS A 67 -12.215 -2.760 -1.455 1.00 0.00 C ATOM 999 O LYS A 67 -12.470 -3.942 -1.670 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.588 -1.432 0.157 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.813 -2.330 0.095 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.079 -1.579 0.478 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.003 -1.029 1.895 1.00 0.00 C ATOM 1004 NZ LYS A 67 -15.788 -2.105 2.901 1.00 0.00 N ATOM 0 H LYS A 67 -11.401 -0.351 0.468 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.225 -3.008 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.567 -0.925 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.674 -0.659 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.919 -2.732 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.676 -3.179 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.241 -0.759 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.937 -2.246 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.191 -0.305 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.925 -0.495 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.911 -1.716 3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.478 -2.868 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.825 -2.485 2.803 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.877 -1.911 -2.418 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.781 -2.334 -3.810 1.00 0.00 C ATOM 1020 C GLN A 68 -10.648 -3.339 -4.001 1.00 0.00 C ATOM 1021 O GLN A 68 -10.784 -4.316 -4.737 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.539 -1.131 -4.720 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.674 -0.124 -4.735 1.00 0.00 C ATOM 1024 CD GLN A 68 -12.211 1.291 -4.454 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.196 1.742 -4.987 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.958 2.004 -3.618 1.00 0.00 N ATOM 0 H GLN A 68 -11.665 -0.926 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.726 -2.809 -4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.626 -0.628 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.370 -1.487 -5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.166 -0.153 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.418 -0.412 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.791 1.590 -3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.699 2.965 -3.395 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.526 -3.075 -3.345 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.351 -3.930 -3.441 1.00 0.00 C ATOM 1037 C ILE A 69 -8.665 -5.365 -3.032 1.00 0.00 C ATOM 1038 O ILE A 69 -8.348 -6.313 -3.750 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.202 -3.364 -2.574 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.855 -1.948 -3.038 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.968 -4.254 -2.630 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.182 -1.112 -1.973 1.00 0.00 C ATOM 0 H ILE A 69 -9.405 -2.267 -2.735 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.036 -3.944 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.541 -3.335 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.201 -2.009 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.767 -1.446 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.181 -3.825 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.220 -5.248 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.618 -4.327 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.965 -0.121 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.843 -1.020 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.252 -1.592 -1.667 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.287 -5.509 -1.877 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.646 -6.823 -1.346 1.00 0.00 C ATOM 1056 C LYS A 70 -10.678 -7.531 -2.210 1.00 0.00 C ATOM 1057 O LYS A 70 -10.770 -8.759 -2.194 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.156 -6.688 0.087 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.406 -5.836 0.209 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.607 -6.654 0.658 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.696 -5.769 1.248 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.980 -5.900 0.504 1.00 0.00 N ATOM 0 H LYS A 70 -9.559 -4.728 -1.279 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.745 -7.436 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.363 -7.681 0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.369 -6.255 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.228 -5.030 0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.623 -5.370 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.008 -7.209 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.292 -7.388 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.853 -6.034 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.369 -4.729 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.696 -5.282 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.836 -5.623 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.305 -6.887 0.544 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.447 -6.766 -2.964 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.458 -7.349 -3.831 1.00 0.00 C ATOM 1078 C GLN A 71 -11.816 -8.160 -4.954 1.00 0.00 C ATOM 1079 O GLN A 71 -12.450 -9.039 -5.538 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.354 -6.257 -4.418 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.739 -6.207 -3.794 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.330 -4.812 -3.800 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.396 -4.578 -4.370 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -14.636 -3.876 -3.166 1.00 0.00 N ATOM 0 H GLN A 71 -11.393 -5.748 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.069 -8.021 -3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.869 -5.290 -4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.454 -6.418 -5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.402 -6.881 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.685 -6.570 -2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.757 -4.116 -2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.981 -2.917 -3.137 1.00 0.00 H new ATOM 1093 N ARG A 72 -10.562 -7.843 -5.267 1.00 0.00 N ATOM 1094 CA ARG A 72 -9.845 -8.525 -6.342 1.00 0.00 C ATOM 1095 C ARG A 72 -8.747 -9.460 -5.828 1.00 0.00 C ATOM 1096 O ARG A 72 -8.303 -10.350 -6.552 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.239 -7.497 -7.299 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.269 -6.585 -7.945 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.412 -6.869 -9.431 1.00 0.00 C ATOM 1100 NE ARG A 72 -10.991 -5.737 -10.150 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.706 -5.851 -11.267 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -11.923 -7.044 -11.808 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.201 -4.767 -11.847 1.00 0.00 N ATOM 0 H ARG A 72 -10.022 -7.119 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.575 -9.144 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.517 -6.888 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.689 -8.021 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.233 -6.718 -7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.978 -5.545 -7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.434 -7.104 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.040 -7.749 -9.573 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.838 -4.802 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.541 -7.881 -11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.472 -7.124 -12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.034 -3.848 -11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.749 -4.852 -12.703 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.296 -9.252 -4.598 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.233 -10.086 -4.033 1.00 0.00 C ATOM 1119 C HIS A 73 -7.728 -10.934 -2.865 1.00 0.00 C ATOM 1120 O HIS A 73 -8.806 -10.698 -2.321 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.078 -9.207 -3.553 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.385 -8.455 -2.294 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.663 -9.060 -1.084 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.448 -7.134 -2.070 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -6.880 -8.131 -0.169 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.752 -6.950 -0.743 1.00 0.00 N ATOM 0 H HIS A 73 -8.642 -8.522 -3.975 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.897 -10.757 -4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.200 -9.832 -3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.822 -8.496 -4.339 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.288 -6.355 -2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.120 -8.308 0.869 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.861 -6.049 -0.278 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.915 -11.925 -2.451 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.231 -12.800 -1.334 1.00 0.00 C ATOM 1137 C PRO A 74 -6.746 -12.221 -0.002 1.00 0.00 C ATOM 1138 O PRO A 74 -7.495 -12.182 0.975 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.467 -14.074 -1.684 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.273 -13.612 -2.458 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.605 -12.254 -3.037 1.00 0.00 C ATOM 0 HA PRO A 74 -8.302 -12.950 -1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.169 -14.615 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.082 -14.753 -2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.398 -13.550 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.033 -14.319 -3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.852 -11.512 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.652 -12.285 -4.126 1.00 0.00 H new ATOM 1149 N MET A 75 -5.491 -11.762 0.029 1.00 0.00 N ATOM 1150 CA MET A 75 -4.919 -11.175 1.238 1.00 0.00 C ATOM 1151 C MET A 75 -3.741 -10.250 0.918 1.00 0.00 C ATOM 1152 O MET A 75 -2.648 -10.415 1.464 1.00 0.00 O ATOM 1153 CB MET A 75 -4.472 -12.275 2.202 1.00 0.00 C ATOM 1154 CG MET A 75 -5.577 -12.767 3.122 1.00 0.00 C ATOM 1155 SD MET A 75 -5.011 -13.015 4.816 1.00 0.00 S ATOM 1156 CE MET A 75 -6.390 -13.929 5.501 1.00 0.00 C ATOM 0 H MET A 75 -4.856 -11.787 -0.769 1.00 0.00 H new ATOM 0 HA MET A 75 -5.697 -10.575 1.710 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.089 -13.117 1.626 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.646 -11.902 2.808 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.395 -12.047 3.118 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.976 -13.705 2.735 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.191 -14.158 6.548 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.297 -13.329 5.427 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.523 -14.857 4.945 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.965 -9.272 0.042 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.926 -8.333 -0.335 1.00 0.00 C ATOM 1168 C LEU A 76 -2.708 -7.293 0.763 1.00 0.00 C ATOM 1169 O LEU A 76 -3.579 -6.461 1.021 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.306 -7.631 -1.644 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.134 -7.196 -2.515 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.550 -5.899 -1.989 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.082 -8.288 -2.568 1.00 0.00 C ATOM 0 H LEU A 76 -4.862 -9.114 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.998 -8.888 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.940 -8.301 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.905 -6.752 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.490 -7.024 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.713 -5.596 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.315 -5.123 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.202 -6.045 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.251 -7.963 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.719 -8.493 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.519 -9.194 -2.987 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.539 -7.317 1.425 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.226 -6.361 2.488 1.00 0.00 C ATOM 1187 C PRO A 77 -1.088 -4.942 1.952 1.00 0.00 C ATOM 1188 O PRO A 77 -0.185 -4.649 1.167 1.00 0.00 O ATOM 1189 CB PRO A 77 0.113 -6.857 3.041 1.00 0.00 C ATOM 1190 CG PRO A 77 0.714 -7.651 1.934 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.435 -8.265 1.187 1.00 0.00 C ATOM 0 HA PRO A 77 -2.014 -6.313 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.756 -6.024 3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.030 -7.467 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.310 -7.016 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.380 -8.420 2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.215 -8.368 0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.672 -9.261 1.561 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.987 -4.063 2.382 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.965 -2.674 1.948 1.00 0.00 C ATOM 1201 C VAL A 78 -1.533 -1.759 3.082 1.00 0.00 C ATOM 1202 O VAL A 78 -1.744 -2.061 4.257 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.343 -2.200 1.445 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.186 -0.984 0.544 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.075 -3.318 0.717 1.00 0.00 C ATOM 0 H VAL A 78 -2.740 -4.290 3.031 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.250 -2.623 1.127 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.943 -1.918 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.167 -0.660 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.714 -0.176 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.565 -1.244 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.044 -2.955 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.484 -3.642 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.222 -4.159 1.395 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.939 -0.634 2.718 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.483 0.343 3.693 1.00 0.00 C ATOM 1217 C ILE A 79 -0.856 1.745 3.241 1.00 0.00 C ATOM 1218 O ILE A 79 -0.419 2.203 2.186 1.00 0.00 O ATOM 1219 CB ILE A 79 1.038 0.286 3.901 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.518 -1.159 4.057 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.432 1.120 5.112 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.808 -1.448 3.320 1.00 0.00 C ATOM 0 H ILE A 79 -0.761 -0.374 1.748 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.971 0.101 4.637 1.00 0.00 H new ATOM 0 HB ILE A 79 1.522 0.702 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.657 -1.375 5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.742 -1.833 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.512 1.073 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.131 2.156 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.935 0.730 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.090 -2.490 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.668 -1.264 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.597 -0.799 3.700 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.676 2.425 4.027 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.100 3.769 3.663 1.00 0.00 C ATOM 1236 C ILE A 80 -1.211 4.840 4.283 1.00 0.00 C ATOM 1237 O ILE A 80 -0.723 4.698 5.404 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.571 4.024 4.047 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.437 2.824 3.659 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.089 5.286 3.376 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.311 2.434 2.202 1.00 0.00 C ATOM 0 H ILE A 80 -2.056 2.077 4.907 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.005 3.835 2.579 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.625 4.161 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.162 1.972 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.480 3.053 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.129 5.448 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.489 6.139 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.021 5.177 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.952 1.576 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.614 3.271 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.276 2.173 1.983 1.00 0.00 H new ATOM 1253 N MET A 81 -1.002 5.912 3.521 1.00 0.00 N ATOM 1254 CA MET A 81 -0.160 7.031 3.958 1.00 0.00 C ATOM 1255 C MET A 81 -0.882 7.935 4.961 1.00 0.00 C ATOM 1256 O MET A 81 -0.246 8.726 5.651 1.00 0.00 O ATOM 1257 CB MET A 81 0.326 7.864 2.762 1.00 0.00 C ATOM 1258 CG MET A 81 -0.540 7.751 1.515 1.00 0.00 C ATOM 1259 SD MET A 81 -0.119 6.319 0.498 1.00 0.00 S ATOM 1260 CE MET A 81 1.594 6.651 0.115 1.00 0.00 C ATOM 0 H MET A 81 -1.406 6.032 2.592 1.00 0.00 H new ATOM 0 HA MET A 81 0.704 6.593 4.457 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.374 8.911 3.061 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.342 7.557 2.512 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.587 7.686 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.432 8.658 0.920 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.807 6.334 -0.906 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.788 7.719 0.211 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.234 6.103 0.806 1.00 0.00 H new ATOM 1270 N THR A 82 -2.203 7.813 5.051 1.00 0.00 N ATOM 1271 CA THR A 82 -2.976 8.621 5.992 1.00 0.00 C ATOM 1272 C THR A 82 -4.188 7.831 6.485 1.00 0.00 C ATOM 1273 O THR A 82 -4.502 6.773 5.943 1.00 0.00 O ATOM 1274 CB THR A 82 -3.423 9.936 5.344 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.400 10.459 4.513 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.774 11.007 6.353 1.00 0.00 C ATOM 0 H THR A 82 -2.758 7.168 4.489 1.00 0.00 H new ATOM 0 HA THR A 82 -2.340 8.863 6.843 1.00 0.00 H new ATOM 0 HB THR A 82 -4.315 9.686 4.769 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.705 11.297 4.107 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.082 11.912 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.590 10.658 6.986 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.903 11.224 6.971 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.869 8.342 7.508 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.044 7.661 8.050 1.00 0.00 C ATOM 1286 C ALA A 83 -7.113 8.659 8.498 1.00 0.00 C ATOM 1287 O ALA A 83 -7.726 8.494 9.552 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.645 6.758 9.207 1.00 0.00 C ATOM 0 H ALA A 83 -4.631 9.217 7.975 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.471 7.050 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.530 6.258 9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.932 6.012 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.187 7.356 9.994 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.326 9.697 7.693 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.313 10.727 8.010 1.00 0.00 C ATOM 1296 C HIS A 84 -9.743 10.196 7.929 1.00 0.00 C ATOM 1297 O HIS A 84 -10.233 9.859 6.852 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.153 11.915 7.062 1.00 0.00 C ATOM 1299 CG HIS A 84 -6.831 12.599 7.188 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -6.165 12.728 8.388 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -6.045 13.189 6.257 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -5.026 13.366 8.190 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -4.929 13.656 6.906 1.00 0.00 N ATOM 0 H HIS A 84 -6.828 9.848 6.816 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.133 11.044 9.037 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.280 11.571 6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.947 12.636 7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.256 13.276 5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -4.298 13.609 8.949 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -4.151 14.148 6.467 1.00 0.00 H new ATOM 1312 N SER A 85 -10.411 10.146 9.080 1.00 0.00 N ATOM 1313 CA SER A 85 -11.796 9.680 9.161 1.00 0.00 C ATOM 1314 C SER A 85 -11.997 8.358 8.423 1.00 0.00 C ATOM 1315 O SER A 85 -11.053 7.779 7.886 1.00 0.00 O ATOM 1316 CB SER A 85 -12.739 10.739 8.586 1.00 0.00 C ATOM 1317 OG SER A 85 -12.282 12.047 8.880 1.00 0.00 O ATOM 0 H SER A 85 -10.012 10.425 9.977 1.00 0.00 H new ATOM 0 HA SER A 85 -12.024 9.513 10.214 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.817 10.612 7.506 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.739 10.600 8.996 1.00 0.00 H new ATOM 0 HG SER A 85 -12.902 12.703 8.499 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.244 7.890 8.405 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.593 6.641 7.734 1.00 0.00 C ATOM 1325 C ASP A 86 -12.693 5.497 8.196 1.00 0.00 C ATOM 1326 O ASP A 86 -12.482 4.530 7.467 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.484 6.815 6.219 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.427 7.879 5.690 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -14.061 9.072 5.735 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.531 7.519 5.231 1.00 0.00 O ATOM 0 H ASP A 86 -14.032 8.360 8.850 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.621 6.390 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.459 7.080 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.701 5.865 5.730 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.170 5.617 9.412 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.291 4.601 9.981 1.00 0.00 C ATOM 1337 C LEU A 87 -11.958 3.226 9.996 1.00 0.00 C ATOM 1338 O LEU A 87 -11.282 2.197 10.051 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.885 5.003 11.401 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.441 4.676 11.785 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -9.251 3.172 11.904 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.470 5.261 10.769 1.00 0.00 C ATOM 0 H LEU A 87 -12.341 6.413 10.026 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.403 4.533 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.040 6.076 11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.552 4.507 12.106 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.232 5.127 12.755 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.218 2.956 12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.919 2.780 12.671 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.479 2.700 10.949 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.448 5.017 11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.677 4.841 9.785 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.589 6.344 10.734 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.287 3.215 9.951 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.050 1.967 9.965 1.00 0.00 C ATOM 1356 C ASP A 88 -13.519 0.968 8.937 1.00 0.00 C ATOM 1357 O ASP A 88 -13.395 -0.221 9.225 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.530 2.244 9.690 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.306 2.554 10.954 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.314 3.730 11.373 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.910 1.620 11.525 1.00 0.00 O ATOM 0 H ASP A 88 -13.861 4.057 9.904 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.937 1.529 10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.617 3.082 8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.973 1.378 9.198 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.222 1.453 7.734 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.722 0.590 6.671 1.00 0.00 C ATOM 1368 C ALA A 89 -11.304 0.107 6.954 1.00 0.00 C ATOM 1369 O ALA A 89 -10.882 -0.930 6.441 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.786 1.303 5.328 1.00 0.00 C ATOM 0 H ALA A 89 -13.319 2.434 7.473 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.366 -0.289 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.409 0.643 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.819 1.572 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.176 2.206 5.366 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.572 0.850 7.776 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.206 0.473 8.120 1.00 0.00 C ATOM 1378 C ALA A 90 -9.194 -0.834 8.895 1.00 0.00 C ATOM 1379 O ALA A 90 -8.334 -1.687 8.683 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.520 1.567 8.923 1.00 0.00 C ATOM 0 H ALA A 90 -10.898 1.711 8.214 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.653 0.336 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.503 1.258 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.490 2.485 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.074 1.744 9.845 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.162 -0.994 9.793 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.254 -2.210 10.583 1.00 0.00 C ATOM 1388 C VAL A 91 -10.670 -3.378 9.702 1.00 0.00 C ATOM 1389 O VAL A 91 -10.083 -4.458 9.767 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.242 -2.079 11.754 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.055 -3.241 12.716 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.054 -0.750 12.472 1.00 0.00 C ATOM 0 H VAL A 91 -10.886 -0.302 9.988 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.264 -2.389 11.003 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.259 -2.106 11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.757 -3.144 13.544 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.238 -4.180 12.193 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.036 -3.234 13.102 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.763 -0.679 13.297 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.038 -0.687 12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.226 0.069 11.773 1.00 0.00 H new ATOM 1402 N SER A 92 -11.670 -3.146 8.857 1.00 0.00 N ATOM 1403 CA SER A 92 -12.139 -4.173 7.941 1.00 0.00 C ATOM 1404 C SER A 92 -11.017 -4.552 6.983 1.00 0.00 C ATOM 1405 O SER A 92 -10.942 -5.685 6.503 1.00 0.00 O ATOM 1406 CB SER A 92 -13.357 -3.678 7.158 1.00 0.00 C ATOM 1407 OG SER A 92 -14.430 -3.358 8.028 1.00 0.00 O ATOM 0 H SER A 92 -12.168 -2.258 8.790 1.00 0.00 H new ATOM 0 HA SER A 92 -12.435 -5.051 8.515 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.084 -2.799 6.574 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.675 -4.445 6.451 1.00 0.00 H new ATOM 0 HG SER A 92 -15.195 -3.043 7.502 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.137 -3.589 6.721 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.007 -3.807 5.836 1.00 0.00 C ATOM 1415 C ALA A 93 -8.094 -4.884 6.395 1.00 0.00 C ATOM 1416 O ALA A 93 -7.615 -5.752 5.670 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.248 -2.508 5.620 1.00 0.00 C ATOM 0 H ALA A 93 -10.189 -2.649 7.113 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.379 -4.149 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.403 -2.686 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.912 -1.768 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.883 -2.136 6.577 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.873 -4.831 7.695 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.032 -5.816 8.361 1.00 0.00 C ATOM 1425 C TYR A 94 -7.630 -7.210 8.203 1.00 0.00 C ATOM 1426 O TYR A 94 -6.933 -8.218 8.325 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.885 -5.483 9.847 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.533 -4.038 10.117 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.587 -3.376 9.343 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.147 -3.335 11.148 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.261 -2.056 9.590 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.827 -2.014 11.399 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.884 -1.380 10.618 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.561 -0.065 10.865 1.00 0.00 O ATOM 0 H TYR A 94 -8.262 -4.119 8.313 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.046 -5.793 7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.818 -5.721 10.357 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.114 -6.122 10.278 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.099 -3.902 8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.885 -3.829 11.762 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.522 -1.556 8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.313 -1.481 12.203 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.089 0.265 11.621 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.931 -7.252 7.933 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.642 -8.512 7.757 1.00 0.00 C ATOM 1446 C GLN A 95 -9.272 -9.161 6.426 1.00 0.00 C ATOM 1447 O GLN A 95 -9.079 -10.375 6.350 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.162 -8.279 7.862 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.929 -8.372 6.543 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.092 -7.404 6.471 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.201 -6.699 5.350 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -13.882 -7.291 7.408 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.516 -6.423 7.831 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.345 -9.198 8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.578 -9.008 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.333 -7.293 8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.246 -8.175 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.300 -9.389 6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.759 -7.854 8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.660 -6.635 7.343 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.188 -8.350 5.376 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.858 -8.855 4.054 1.00 0.00 C ATOM 1463 C GLN A 96 -7.364 -9.135 3.919 1.00 0.00 C ATOM 1464 O GLN A 96 -6.953 -9.877 3.033 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.337 -7.888 2.965 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.599 -6.560 2.934 1.00 0.00 C ATOM 1467 CD GLN A 96 -9.547 -5.374 2.894 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -10.635 -5.418 3.467 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -9.140 -4.308 2.214 1.00 0.00 N ATOM 0 H GLN A 96 -9.344 -7.343 5.418 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.382 -9.802 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.230 -8.372 1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.400 -7.695 3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.960 -6.482 3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.946 -6.530 2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.230 -4.314 1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.738 -3.484 2.152 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.553 -8.562 4.809 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.119 -8.805 4.754 1.00 0.00 C ATOM 1480 C GLY A 97 -4.273 -7.543 4.789 1.00 0.00 C ATOM 1481 O GLY A 97 -3.052 -7.617 4.654 1.00 0.00 O ATOM 0 H GLY A 97 -6.859 -7.941 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.837 -9.442 5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.890 -9.358 3.843 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.904 -6.386 4.968 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.168 -5.123 5.009 1.00 0.00 C ATOM 1487 C ALA A 98 -3.059 -5.161 6.057 1.00 0.00 C ATOM 1488 O ALA A 98 -3.147 -5.898 7.039 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.111 -3.962 5.270 1.00 0.00 C ATOM 0 H ALA A 98 -5.913 -6.295 5.086 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.701 -4.978 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.544 -3.032 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.854 -3.911 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.613 -4.109 6.226 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.006 -4.373 5.840 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.885 -4.341 6.767 1.00 0.00 C ATOM 1497 C PHE A 99 -1.120 -3.364 7.914 1.00 0.00 C ATOM 1498 O PHE A 99 -1.003 -3.733 9.083 1.00 0.00 O ATOM 1499 CB PHE A 99 0.408 -3.967 6.043 1.00 0.00 C ATOM 1500 CG PHE A 99 1.616 -4.013 6.935 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.954 -5.181 7.599 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.411 -2.892 7.114 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.062 -5.230 8.422 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.519 -2.936 7.936 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.846 -4.105 8.591 1.00 0.00 C ATOM 0 H PHE A 99 -1.910 -3.754 5.035 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.794 -5.344 7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.557 -4.646 5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.308 -2.964 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.344 -6.063 7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.161 -1.973 6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.315 -6.147 8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.130 -2.055 8.066 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.713 -4.141 9.234 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.439 -2.114 7.584 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.671 -1.101 8.611 1.00 0.00 C ATOM 1517 C ASP A 100 -1.897 0.284 8.002 1.00 0.00 C ATOM 1518 O ASP A 100 -2.172 0.419 6.808 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.485 -1.060 9.581 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.897 -1.370 11.006 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.947 -0.857 11.445 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.170 -2.128 11.683 1.00 0.00 O ATOM 0 H ASP A 100 -1.542 -1.781 6.625 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.577 -1.377 9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.270 -1.777 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.023 -0.073 9.545 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.774 1.313 8.841 1.00 0.00 N ATOM 1528 CA TYR A 101 -1.958 2.693 8.406 1.00 0.00 C ATOM 1529 C TYR A 101 -0.809 3.568 8.895 1.00 0.00 C ATOM 1530 O TYR A 101 -0.544 3.655 10.095 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.296 3.243 8.915 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.407 3.152 7.895 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.002 1.935 7.590 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.851 4.285 7.229 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.007 1.850 6.647 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.859 4.209 6.287 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.433 2.989 6.000 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.431 2.906 5.056 1.00 0.00 O ATOM 0 H TYR A 101 -1.546 1.213 9.830 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.966 2.709 7.316 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.589 2.695 9.811 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.165 4.285 9.207 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.673 1.041 8.098 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.402 5.242 7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.457 0.895 6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.195 5.100 5.778 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.302 2.100 4.513 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.125 4.206 7.953 1.00 0.00 N ATOM 1549 CA LEU A 102 1.006 5.071 8.269 1.00 0.00 C ATOM 1550 C LEU A 102 0.607 6.541 8.167 1.00 0.00 C ATOM 1551 O LEU A 102 -0.139 6.919 7.269 1.00 0.00 O ATOM 1552 CB LEU A 102 2.161 4.771 7.307 1.00 0.00 C ATOM 1553 CG LEU A 102 3.367 5.712 7.394 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.370 5.196 8.414 1.00 0.00 C ATOM 1555 CD2 LEU A 102 4.027 5.860 6.026 1.00 0.00 C ATOM 0 H LEU A 102 -0.336 4.140 6.957 1.00 0.00 H new ATOM 0 HA LEU A 102 1.324 4.875 9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.505 3.753 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.776 4.799 6.288 1.00 0.00 H new ATOM 0 HG LEU A 102 3.018 6.693 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.221 5.876 8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.895 5.137 9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.714 4.205 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.882 6.532 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.364 4.884 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.308 6.270 5.317 1.00 0.00 H new ATOM 1567 N PRO A 103 1.100 7.396 9.082 1.00 0.00 N ATOM 1568 CA PRO A 103 0.785 8.829 9.067 1.00 0.00 C ATOM 1569 C PRO A 103 1.189 9.480 7.744 1.00 0.00 C ATOM 1570 O PRO A 103 1.860 8.856 6.923 1.00 0.00 O ATOM 1571 CB PRO A 103 1.603 9.397 10.237 1.00 0.00 C ATOM 1572 CG PRO A 103 2.628 8.358 10.542 1.00 0.00 C ATOM 1573 CD PRO A 103 1.997 7.042 10.193 1.00 0.00 C ATOM 0 HA PRO A 103 -0.283 9.020 9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.071 10.344 9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.969 9.590 11.103 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.535 8.522 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.913 8.388 11.594 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.741 6.304 9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.450 6.619 11.036 1.00 0.00 H new ATOM 1581 N LYS A 104 0.767 10.731 7.528 1.00 0.00 N ATOM 1582 CA LYS A 104 1.082 11.443 6.285 1.00 0.00 C ATOM 1583 C LYS A 104 2.541 11.264 5.868 1.00 0.00 C ATOM 1584 O LYS A 104 2.815 10.983 4.702 1.00 0.00 O ATOM 1585 CB LYS A 104 0.751 12.932 6.392 1.00 0.00 C ATOM 1586 CG LYS A 104 0.856 13.667 5.060 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.021 13.026 3.986 1.00 0.00 C ATOM 1588 CE LYS A 104 0.802 12.528 2.800 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.069 11.498 2.005 1.00 0.00 N ATOM 0 H LYS A 104 0.210 11.268 8.193 1.00 0.00 H new ATOM 0 HA LYS A 104 0.455 10.998 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.260 13.046 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.426 13.397 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.562 14.708 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.894 13.670 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.574 12.193 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.757 13.751 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.057 13.370 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.741 12.107 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.747 10.949 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.440 10.860 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.611 11.967 1.373 1.00 0.00 H new ATOM 1603 N PRO A 105 3.511 11.417 6.797 1.00 0.00 N ATOM 1604 CA PRO A 105 4.927 11.258 6.467 1.00 0.00 C ATOM 1605 C PRO A 105 5.145 9.997 5.644 1.00 0.00 C ATOM 1606 O PRO A 105 4.260 9.144 5.568 1.00 0.00 O ATOM 1607 CB PRO A 105 5.619 11.147 7.836 1.00 0.00 C ATOM 1608 CG PRO A 105 4.519 11.104 8.850 1.00 0.00 C ATOM 1609 CD PRO A 105 3.331 11.762 8.209 1.00 0.00 C ATOM 0 HA PRO A 105 5.317 12.082 5.869 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.235 10.250 7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.278 11.998 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.290 10.076 9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.809 11.627 9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.390 11.379 8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.328 12.840 8.368 1.00 0.00 H new ATOM 1617 N PHE A 106 6.294 9.891 4.995 1.00 0.00 N ATOM 1618 CA PHE A 106 6.556 8.741 4.152 1.00 0.00 C ATOM 1619 C PHE A 106 8.033 8.651 3.774 1.00 0.00 C ATOM 1620 O PHE A 106 8.810 7.997 4.465 1.00 0.00 O ATOM 1621 CB PHE A 106 5.671 8.829 2.901 1.00 0.00 C ATOM 1622 CG PHE A 106 5.085 7.520 2.467 1.00 0.00 C ATOM 1623 CD1 PHE A 106 4.023 6.952 3.155 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.590 6.861 1.359 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.479 5.755 2.743 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.049 5.661 0.946 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.995 5.109 1.637 1.00 0.00 C ATOM 0 H PHE A 106 7.048 10.577 5.036 1.00 0.00 H new ATOM 0 HA PHE A 106 6.315 7.833 4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.860 9.531 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 106 6.261 9.239 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.619 7.453 4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.416 7.291 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.650 5.323 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.452 5.155 0.081 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.571 4.170 1.314 1.00 0.00 H new ATOM 1637 N ASP A 107 8.423 9.300 2.677 1.00 0.00 N ATOM 1638 CA ASP A 107 9.809 9.266 2.222 1.00 0.00 C ATOM 1639 C ASP A 107 10.382 7.852 2.345 1.00 0.00 C ATOM 1640 O ASP A 107 9.674 6.912 2.693 1.00 0.00 O ATOM 1641 CB ASP A 107 10.659 10.267 3.015 1.00 0.00 C ATOM 1642 CG ASP A 107 11.012 9.778 4.409 1.00 0.00 C ATOM 1643 OD1 ASP A 107 10.160 9.892 5.314 1.00 0.00 O ATOM 1644 OD2 ASP A 107 12.147 9.287 4.594 1.00 0.00 O ATOM 0 H ASP A 107 7.799 9.854 2.090 1.00 0.00 H new ATOM 0 HA ASP A 107 9.834 9.553 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.578 10.470 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.119 11.211 3.094 1.00 0.00 H new ATOM 1649 N ILE A 108 11.658 7.704 2.052 1.00 0.00 N ATOM 1650 CA ILE A 108 12.297 6.401 2.140 1.00 0.00 C ATOM 1651 C ILE A 108 12.400 5.923 3.579 1.00 0.00 C ATOM 1652 O ILE A 108 12.080 4.777 3.897 1.00 0.00 O ATOM 1653 CB ILE A 108 13.681 6.422 1.454 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.541 6.005 -0.008 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.694 5.526 2.161 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.381 6.666 -0.723 1.00 0.00 C ATOM 0 H ILE A 108 12.272 8.462 1.753 1.00 0.00 H new ATOM 0 HA ILE A 108 11.668 5.686 1.609 1.00 0.00 H new ATOM 0 HB ILE A 108 14.059 7.443 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.465 6.245 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.417 4.923 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.650 5.576 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.823 5.864 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.333 4.497 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.346 6.321 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.449 6.406 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.512 7.748 -0.706 1.00 0.00 H new ATOM 1668 N ASP A 109 12.860 6.804 4.439 1.00 0.00 N ATOM 1669 CA ASP A 109 13.030 6.483 5.845 1.00 0.00 C ATOM 1670 C ASP A 109 11.742 5.941 6.464 1.00 0.00 C ATOM 1671 O ASP A 109 11.748 4.870 7.063 1.00 0.00 O ATOM 1672 CB ASP A 109 13.506 7.715 6.617 1.00 0.00 C ATOM 1673 CG ASP A 109 14.825 8.255 6.096 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.759 7.451 5.895 1.00 0.00 O ATOM 1675 OD2 ASP A 109 14.924 9.484 5.890 1.00 0.00 O ATOM 0 H ASP A 109 13.126 7.757 4.190 1.00 0.00 H new ATOM 0 HA ASP A 109 13.786 5.700 5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.747 8.495 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.613 7.460 7.671 1.00 0.00 H new ATOM 1680 N GLU A 110 10.651 6.696 6.347 1.00 0.00 N ATOM 1681 CA GLU A 110 9.377 6.296 6.928 1.00 0.00 C ATOM 1682 C GLU A 110 8.658 5.228 6.104 1.00 0.00 C ATOM 1683 O GLU A 110 7.914 4.417 6.656 1.00 0.00 O ATOM 1684 CB GLU A 110 8.472 7.522 7.112 1.00 0.00 C ATOM 1685 CG GLU A 110 9.158 8.692 7.795 1.00 0.00 C ATOM 1686 CD GLU A 110 8.959 8.690 9.298 1.00 0.00 C ATOM 1687 OE1 GLU A 110 9.741 8.014 10.000 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.021 9.364 9.774 1.00 0.00 O ATOM 0 H GLU A 110 10.627 7.589 5.854 1.00 0.00 H new ATOM 0 HA GLU A 110 9.597 5.851 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.110 7.845 6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.599 7.233 7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.225 8.662 7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.773 9.625 7.383 1.00 0.00 H new ATOM 1695 N ALA A 111 8.872 5.217 4.793 1.00 0.00 N ATOM 1696 CA ALA A 111 8.219 4.228 3.946 1.00 0.00 C ATOM 1697 C ALA A 111 9.000 2.924 3.929 1.00 0.00 C ATOM 1698 O ALA A 111 8.467 1.875 4.287 1.00 0.00 O ATOM 1699 CB ALA A 111 8.015 4.765 2.542 1.00 0.00 C ATOM 0 H ALA A 111 9.482 5.870 4.301 1.00 0.00 H new ATOM 0 HA ALA A 111 7.236 4.020 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.526 4.007 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.391 5.658 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.981 5.016 2.105 1.00 0.00 H new ATOM 1705 N VAL A 112 10.269 2.984 3.534 1.00 0.00 N ATOM 1706 CA VAL A 112 11.094 1.784 3.509 1.00 0.00 C ATOM 1707 C VAL A 112 11.084 1.113 4.874 1.00 0.00 C ATOM 1708 O VAL A 112 11.159 -0.110 4.989 1.00 0.00 O ATOM 1709 CB VAL A 112 12.548 2.078 3.113 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.327 0.775 3.011 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.599 2.851 1.807 1.00 0.00 C ATOM 0 H VAL A 112 10.741 3.836 3.232 1.00 0.00 H new ATOM 0 HA VAL A 112 10.665 1.125 2.755 1.00 0.00 H new ATOM 0 HB VAL A 112 13.009 2.697 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.358 0.989 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.312 0.266 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.870 0.136 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.637 3.050 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.130 2.263 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.066 3.795 1.922 1.00 0.00 H new ATOM 1721 N ALA A 113 10.974 1.930 5.906 1.00 0.00 N ATOM 1722 CA ALA A 113 10.930 1.437 7.269 1.00 0.00 C ATOM 1723 C ALA A 113 9.741 0.508 7.449 1.00 0.00 C ATOM 1724 O ALA A 113 9.876 -0.632 7.892 1.00 0.00 O ATOM 1725 CB ALA A 113 10.817 2.604 8.234 1.00 0.00 C ATOM 0 H ALA A 113 10.913 2.945 5.824 1.00 0.00 H new ATOM 0 HA ALA A 113 11.847 0.885 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.784 2.229 9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.680 3.259 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.905 3.163 8.023 1.00 0.00 H new ATOM 1731 N LEU A 114 8.573 1.031 7.109 1.00 0.00 N ATOM 1732 CA LEU A 114 7.326 0.297 7.231 1.00 0.00 C ATOM 1733 C LEU A 114 7.177 -0.792 6.168 1.00 0.00 C ATOM 1734 O LEU A 114 6.378 -1.713 6.335 1.00 0.00 O ATOM 1735 CB LEU A 114 6.151 1.271 7.147 1.00 0.00 C ATOM 1736 CG LEU A 114 4.776 0.680 7.468 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.707 0.208 8.913 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.695 1.710 7.203 1.00 0.00 C ATOM 0 H LEU A 114 8.464 1.976 6.741 1.00 0.00 H new ATOM 0 HA LEU A 114 7.335 -0.203 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.339 2.099 7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.121 1.689 6.141 1.00 0.00 H new ATOM 0 HG LEU A 114 4.616 -0.183 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.719 -0.207 9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.464 -0.558 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.888 1.051 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.720 1.282 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.865 2.585 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.723 2.005 6.154 1.00 0.00 H new ATOM 1750 N VAL A 115 7.915 -0.680 5.065 1.00 0.00 N ATOM 1751 CA VAL A 115 7.807 -1.670 3.998 1.00 0.00 C ATOM 1752 C VAL A 115 8.583 -2.946 4.312 1.00 0.00 C ATOM 1753 O VAL A 115 8.060 -4.049 4.161 1.00 0.00 O ATOM 1754 CB VAL A 115 8.236 -1.107 2.622 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.746 -1.132 2.449 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.558 -1.884 1.504 1.00 0.00 C ATOM 0 H VAL A 115 8.582 0.072 4.889 1.00 0.00 H new ATOM 0 HA VAL A 115 6.749 -1.924 3.939 1.00 0.00 H new ATOM 0 HB VAL A 115 7.920 -0.065 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.007 -0.729 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.211 -0.527 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.104 -2.159 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.867 -1.479 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.844 -2.934 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.476 -1.796 1.604 1.00 0.00 H new ATOM 1766 N GLU A 116 9.829 -2.798 4.751 1.00 0.00 N ATOM 1767 CA GLU A 116 10.652 -3.955 5.085 1.00 0.00 C ATOM 1768 C GLU A 116 10.092 -4.672 6.307 1.00 0.00 C ATOM 1769 O GLU A 116 10.102 -5.900 6.376 1.00 0.00 O ATOM 1770 CB GLU A 116 12.098 -3.532 5.338 1.00 0.00 C ATOM 1771 CG GLU A 116 12.845 -3.135 4.073 1.00 0.00 C ATOM 1772 CD GLU A 116 14.348 -3.107 4.270 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.930 -4.177 4.547 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.943 -2.015 4.148 1.00 0.00 O ATOM 0 H GLU A 116 10.288 -1.897 4.883 1.00 0.00 H new ATOM 0 HA GLU A 116 10.635 -4.642 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.106 -2.693 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.629 -4.352 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.600 -3.836 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.506 -2.151 3.749 1.00 0.00 H new ATOM 1781 N ARG A 117 9.596 -3.898 7.265 1.00 0.00 N ATOM 1782 CA ARG A 117 9.020 -4.460 8.478 1.00 0.00 C ATOM 1783 C ARG A 117 7.766 -5.260 8.153 1.00 0.00 C ATOM 1784 O ARG A 117 7.374 -6.157 8.900 1.00 0.00 O ATOM 1785 CB ARG A 117 8.684 -3.348 9.472 1.00 0.00 C ATOM 1786 CG ARG A 117 9.906 -2.706 10.107 1.00 0.00 C ATOM 1787 CD ARG A 117 9.510 -1.636 11.110 1.00 0.00 C ATOM 1788 NE ARG A 117 10.532 -1.442 12.137 1.00 0.00 N ATOM 1789 CZ ARG A 117 11.336 -0.381 12.203 1.00 0.00 C ATOM 1790 NH1 ARG A 117 11.251 0.591 11.301 1.00 0.00 N ATOM 1791 NH2 ARG A 117 12.231 -0.291 13.177 1.00 0.00 N ATOM 0 H ARG A 117 9.582 -2.879 7.224 1.00 0.00 H new ATOM 0 HA ARG A 117 9.755 -5.127 8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.105 -2.579 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.049 -3.756 10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.504 -3.470 10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.533 -2.266 9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.338 -0.695 10.587 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.568 -1.914 11.584 1.00 0.00 H new ATOM 0 HE ARG A 117 10.637 -2.165 12.849 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.565 0.530 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.871 1.398 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.303 -1.033 13.874 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.848 0.520 13.230 1.00 0.00 H new ATOM 1805 N ALA A 118 7.140 -4.925 7.032 1.00 0.00 N ATOM 1806 CA ALA A 118 5.931 -5.603 6.597 1.00 0.00 C ATOM 1807 C ALA A 118 6.248 -6.986 6.043 1.00 0.00 C ATOM 1808 O ALA A 118 5.668 -7.983 6.469 1.00 0.00 O ATOM 1809 CB ALA A 118 5.203 -4.763 5.559 1.00 0.00 C ATOM 0 H ALA A 118 7.454 -4.183 6.406 1.00 0.00 H new ATOM 0 HA ALA A 118 5.280 -5.732 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.299 -5.281 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.935 -3.800 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.853 -4.605 4.698 1.00 0.00 H new ATOM 1815 N ILE A 119 7.178 -7.040 5.096 1.00 0.00 N ATOM 1816 CA ILE A 119 7.575 -8.305 4.494 1.00 0.00 C ATOM 1817 C ILE A 119 8.143 -9.245 5.546 1.00 0.00 C ATOM 1818 O ILE A 119 8.007 -10.465 5.449 1.00 0.00 O ATOM 1819 CB ILE A 119 8.624 -8.094 3.387 1.00 0.00 C ATOM 1820 CG1 ILE A 119 8.146 -7.036 2.392 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.917 -9.401 2.671 1.00 0.00 C ATOM 1822 CD1 ILE A 119 9.259 -6.146 1.891 1.00 0.00 C ATOM 0 H ILE A 119 7.669 -6.224 4.730 1.00 0.00 H new ATOM 0 HA ILE A 119 6.682 -8.748 4.053 1.00 0.00 H new ATOM 0 HB ILE A 119 9.546 -7.742 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.675 -7.531 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.382 -6.420 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.661 -9.231 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.300 -10.129 3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.001 -9.782 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.854 -5.417 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.715 -5.625 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 119 10.013 -6.753 1.389 1.00 0.00 H new ATOM 1834 N SER A 120 8.774 -8.663 6.553 1.00 0.00 N ATOM 1835 CA SER A 120 9.365 -9.429 7.638 1.00 0.00 C ATOM 1836 C SER A 120 8.281 -10.042 8.518 1.00 0.00 C ATOM 1837 O SER A 120 8.365 -11.207 8.907 1.00 0.00 O ATOM 1838 CB SER A 120 10.281 -8.538 8.481 1.00 0.00 C ATOM 1839 OG SER A 120 11.576 -8.453 7.913 1.00 0.00 O ATOM 0 H SER A 120 8.890 -7.654 6.641 1.00 0.00 H new ATOM 0 HA SER A 120 9.957 -10.235 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.850 -7.540 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.350 -8.937 9.493 1.00 0.00 H new ATOM 0 HG SER A 120 12.140 -7.877 8.470 1.00 0.00 H new ATOM 1845 N HIS A 121 7.259 -9.247 8.826 1.00 0.00 N ATOM 1846 CA HIS A 121 6.154 -9.711 9.658 1.00 0.00 C ATOM 1847 C HIS A 121 5.205 -10.592 8.857 1.00 0.00 C ATOM 1848 O HIS A 121 4.551 -11.479 9.405 1.00 0.00 O ATOM 1849 CB HIS A 121 5.394 -8.521 10.246 1.00 0.00 C ATOM 1850 CG HIS A 121 6.016 -7.971 11.492 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.044 -7.052 11.478 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.749 -8.215 12.798 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.383 -6.755 12.720 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.612 -7.445 13.539 1.00 0.00 N ATOM 0 H HIS A 121 7.174 -8.280 8.512 1.00 0.00 H new ATOM 0 HA HIS A 121 6.569 -10.304 10.473 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.338 -7.730 9.498 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.371 -8.826 10.464 1.00 0.00 H new ATOM 0 HD1 HIS A 121 7.475 -6.662 10.640 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.998 -8.889 13.184 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.159 -6.065 13.015 1.00 0.00 H new