USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 678 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 71 GLN : amide:sc= -7.54! C(o=-23!,f=-23!) USER MOD Set 1.2: A 93 GLN : amide:sc= -12.2! C(o=-23!,f=-27!) USER MOD Set 1.3: A 97 THR OG1 : rot 58:sc= -3.33! USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.27! C(o=-6.6!,f=-5.1!) USER MOD Set 2.2: A 25 GLN : amide:sc= -2.82! C(o=-5.1!,f=-6.6!) USER MOD Single : A 6 ASN :FLIP amide:sc= -2.49! C(o=-6.1!,f=-2.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0698 F(o=-1.4!,f=-0.07) USER MOD Single : A 13 ASN : amide:sc= -0.741 K(o=-0.74,f=-7.9!) USER MOD Single : A 15 LYS NZ :NH3+ 134:sc= -1.8 (180deg=-3.2!) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= -0.836 (180deg=-1.76) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 85:sc= 0.187 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 168:sc= -1.84! (180deg=-2.05!) USER MOD Single : A 41 GLN :FLIP amide:sc= -4.28! C(o=-5.6!,f=-4.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc=-0.00554 X(o=-0.0055,f=-0.17) USER MOD Single : A 77 LYS NZ :NH3+ 151:sc= -0.09 (180deg=-0.486) USER MOD Single : A 80 ASN :FLIP amide:sc= -5.4! C(o=-7.9!,f=-5.4!) USER MOD Single : A 83 LYS NZ :NH3+ 138:sc= -0.248 (180deg=-1.35!) USER MOD Single : A 85 LYS NZ :NH3+ -131:sc= -0.633 (180deg=-2.19!) USER MOD Single : A 88 GLN : amide:sc= -0.667 K(o=-0.67,f=-2.6!) USER MOD Single : A 95 LYS NZ :NH3+ 156:sc= 1.28 (180deg=0.948) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.00645 X(o=0.0065,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.12 F(o=-4.8!,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 -8.597 8.922 6.873 1.00 0.00 N ATOM 42 CA GLU A 4 -8.879 7.640 7.581 1.00 0.00 C ATOM 43 C GLU A 4 -9.802 6.752 6.738 1.00 0.00 C ATOM 44 O GLU A 4 -9.950 5.576 7.003 1.00 0.00 O ATOM 45 CB GLU A 4 -9.548 7.946 8.929 1.00 0.00 C ATOM 46 CG GLU A 4 -10.993 8.419 8.706 1.00 0.00 C ATOM 47 CD GLU A 4 -11.497 9.148 9.955 1.00 0.00 C ATOM 48 OE1 GLU A 4 -11.078 8.783 11.040 1.00 0.00 O ATOM 49 OE2 GLU A 4 -12.296 10.058 9.804 1.00 0.00 O ATOM 0 HA GLU A 4 -7.941 7.110 7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.542 7.055 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.983 8.714 9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.039 9.083 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.635 7.566 8.487 1.00 0.00 H new ATOM 56 N ASP A 5 -10.442 7.300 5.741 1.00 0.00 N ATOM 57 CA ASP A 5 -11.364 6.469 4.915 1.00 0.00 C ATOM 58 C ASP A 5 -10.582 5.574 3.956 1.00 0.00 C ATOM 59 O ASP A 5 -10.803 4.381 3.915 1.00 0.00 O ATOM 60 CB ASP A 5 -12.305 7.380 4.125 1.00 0.00 C ATOM 61 CG ASP A 5 -11.482 8.309 3.230 1.00 0.00 C ATOM 62 OD1 ASP A 5 -10.306 8.478 3.507 1.00 0.00 O ATOM 63 OD2 ASP A 5 -12.043 8.837 2.284 1.00 0.00 O ATOM 0 H ASP A 5 -10.368 8.279 5.464 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.945 5.830 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.984 6.781 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.920 7.966 4.808 1.00 0.00 H new ATOM 68 N ASN A 6 -9.667 6.119 3.184 1.00 0.00 N ATOM 69 CA ASN A 6 -8.886 5.255 2.249 1.00 0.00 C ATOM 70 C ASN A 6 -8.393 4.061 3.077 1.00 0.00 C ATOM 71 O ASN A 6 -8.404 2.926 2.646 1.00 0.00 O ATOM 72 CB ASN A 6 -7.719 6.086 1.646 1.00 0.00 C ATOM 73 CG ASN A 6 -6.404 5.302 1.640 1.00 0.00 C ATOM 74 OD1 ASN A 6 -5.904 4.905 2.772 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -5.833 5.050 0.599 1.00 0.00 N flip ATOM 0 H ASN A 6 -9.433 7.111 3.163 1.00 0.00 H new ATOM 0 HA ASN A 6 -9.479 4.893 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.971 6.380 0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.592 7.004 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.228 5.363 -0.288 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.958 4.525 0.611 1.00 0.00 H new ATOM 82 N TRP A 7 -8.005 4.341 4.289 1.00 0.00 N ATOM 83 CA TRP A 7 -7.550 3.276 5.216 1.00 0.00 C ATOM 84 C TRP A 7 -8.691 2.267 5.407 1.00 0.00 C ATOM 85 O TRP A 7 -8.471 1.077 5.519 1.00 0.00 O ATOM 86 CB TRP A 7 -7.202 3.932 6.571 1.00 0.00 C ATOM 87 CG TRP A 7 -5.731 4.216 6.653 1.00 0.00 C ATOM 88 CD1 TRP A 7 -5.077 5.061 5.832 1.00 0.00 C ATOM 89 CD2 TRP A 7 -4.729 3.687 7.577 1.00 0.00 C ATOM 90 NE1 TRP A 7 -3.743 5.092 6.184 1.00 0.00 N ATOM 91 CE2 TRP A 7 -3.476 4.265 7.255 1.00 0.00 C ATOM 92 CE3 TRP A 7 -4.781 2.777 8.649 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -2.316 3.953 7.969 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -3.615 2.458 9.369 1.00 0.00 C ATOM 95 CH2 TRP A 7 -2.385 3.048 9.029 1.00 0.00 C ATOM 0 H TRP A 7 -7.985 5.282 4.681 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.676 2.762 4.817 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.765 4.858 6.689 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.498 3.273 7.388 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.525 5.624 5.027 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.040 5.658 5.710 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.721 2.321 8.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.374 4.409 7.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.665 1.756 10.188 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.494 2.801 9.588 1.00 0.00 H new ATOM 106 N GLU A 8 -9.907 2.743 5.458 1.00 0.00 N ATOM 107 CA GLU A 8 -11.062 1.825 5.656 1.00 0.00 C ATOM 108 C GLU A 8 -11.103 0.824 4.506 1.00 0.00 C ATOM 109 O GLU A 8 -11.179 -0.369 4.713 1.00 0.00 O ATOM 110 CB GLU A 8 -12.358 2.628 5.688 1.00 0.00 C ATOM 111 CG GLU A 8 -13.514 1.713 6.098 1.00 0.00 C ATOM 112 CD GLU A 8 -14.832 2.487 6.025 1.00 0.00 C ATOM 113 OE1 GLU A 8 -14.839 3.645 6.406 1.00 0.00 O ATOM 114 OE2 GLU A 8 -15.813 1.908 5.588 1.00 0.00 O ATOM 0 H GLU A 8 -10.149 3.730 5.371 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.952 1.294 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.268 3.456 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.554 3.062 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.554 0.844 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.355 1.340 7.110 1.00 0.00 H new ATOM 121 N THR A 9 -11.019 1.290 3.290 1.00 0.00 N ATOM 122 CA THR A 9 -11.017 0.341 2.143 1.00 0.00 C ATOM 123 C THR A 9 -9.911 -0.678 2.402 1.00 0.00 C ATOM 124 O THR A 9 -10.107 -1.877 2.346 1.00 0.00 O ATOM 125 CB THR A 9 -10.728 1.110 0.848 1.00 0.00 C ATOM 126 OG1 THR A 9 -11.466 2.323 0.849 1.00 0.00 O ATOM 127 CG2 THR A 9 -11.142 0.262 -0.356 1.00 0.00 C ATOM 0 H THR A 9 -10.952 2.277 3.043 1.00 0.00 H new ATOM 0 HA THR A 9 -11.981 -0.157 2.042 1.00 0.00 H new ATOM 0 HB THR A 9 -9.662 1.329 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.283 2.818 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.936 0.810 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.578 -0.671 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.208 0.041 -0.296 1.00 0.00 H new ATOM 135 N LEU A 10 -8.752 -0.183 2.717 1.00 0.00 N ATOM 136 CA LEU A 10 -7.597 -1.064 3.028 1.00 0.00 C ATOM 137 C LEU A 10 -7.917 -1.877 4.286 1.00 0.00 C ATOM 138 O LEU A 10 -7.445 -2.971 4.464 1.00 0.00 O ATOM 139 CB LEU A 10 -6.365 -0.166 3.286 1.00 0.00 C ATOM 140 CG LEU A 10 -5.369 -0.226 2.105 1.00 0.00 C ATOM 141 CD1 LEU A 10 -4.613 1.095 2.007 1.00 0.00 C ATOM 142 CD2 LEU A 10 -4.366 -1.357 2.340 1.00 0.00 C ATOM 0 H LEU A 10 -8.552 0.816 2.773 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.396 -1.746 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.688 0.863 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.866 -0.484 4.202 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.918 -0.405 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.911 1.052 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.321 1.908 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.066 1.271 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.664 -1.399 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.821 -1.173 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.898 -2.305 2.415 1.00 0.00 H new ATOM 154 N ASN A 11 -8.693 -1.343 5.174 1.00 0.00 N ATOM 155 CA ASN A 11 -8.998 -2.097 6.415 1.00 0.00 C ATOM 156 C ASN A 11 -9.723 -3.390 6.074 1.00 0.00 C ATOM 157 O ASN A 11 -9.221 -4.479 6.273 1.00 0.00 O ATOM 158 CB ASN A 11 -9.909 -1.272 7.308 1.00 0.00 C ATOM 159 CG ASN A 11 -10.000 -1.946 8.678 1.00 0.00 C ATOM 160 OD1 ASN A 11 -8.954 -2.570 9.155 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -11.031 -1.909 9.319 1.00 0.00 N flip ATOM 0 H ASN A 11 -9.128 -0.424 5.099 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.059 -2.314 6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.520 -0.259 7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.900 -1.189 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.846 -1.422 8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.082 -2.365 10.230 1.00 0.00 H new ATOM 168 N ASP A 12 -10.914 -3.264 5.577 1.00 0.00 N ATOM 169 CA ASP A 12 -11.712 -4.464 5.232 1.00 0.00 C ATOM 170 C ASP A 12 -10.882 -5.386 4.361 1.00 0.00 C ATOM 171 O ASP A 12 -11.162 -6.563 4.249 1.00 0.00 O ATOM 172 CB ASP A 12 -12.935 -4.039 4.440 1.00 0.00 C ATOM 173 CG ASP A 12 -13.910 -3.292 5.352 1.00 0.00 C ATOM 174 OD1 ASP A 12 -14.682 -3.951 6.030 1.00 0.00 O ATOM 175 OD2 ASP A 12 -13.869 -2.072 5.358 1.00 0.00 O ATOM 0 H ASP A 12 -11.374 -2.372 5.393 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.009 -4.975 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.637 -3.399 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.423 -4.914 4.010 1.00 0.00 H new ATOM 180 N ASN A 13 -9.867 -4.874 3.725 1.00 0.00 N ATOM 181 CA ASN A 13 -9.062 -5.769 2.859 1.00 0.00 C ATOM 182 C ASN A 13 -8.302 -6.755 3.756 1.00 0.00 C ATOM 183 O ASN A 13 -8.524 -7.945 3.694 1.00 0.00 O ATOM 184 CB ASN A 13 -8.090 -4.955 1.982 1.00 0.00 C ATOM 185 CG ASN A 13 -8.778 -4.568 0.665 1.00 0.00 C ATOM 186 OD1 ASN A 13 -8.667 -5.268 -0.320 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.493 -3.479 0.612 1.00 0.00 N ATOM 0 H ASN A 13 -9.567 -3.900 3.766 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.718 -6.319 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.770 -4.058 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.194 -5.540 1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.958 -3.216 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.587 -2.890 1.439 1.00 0.00 H new ATOM 194 N LEU A 14 -7.430 -6.274 4.606 1.00 0.00 N ATOM 195 CA LEU A 14 -6.689 -7.197 5.516 1.00 0.00 C ATOM 196 C LEU A 14 -7.701 -8.018 6.312 1.00 0.00 C ATOM 197 O LEU A 14 -7.466 -9.155 6.665 1.00 0.00 O ATOM 198 CB LEU A 14 -5.852 -6.380 6.513 1.00 0.00 C ATOM 199 CG LEU A 14 -4.572 -5.820 5.857 1.00 0.00 C ATOM 200 CD1 LEU A 14 -3.592 -6.946 5.521 1.00 0.00 C ATOM 201 CD2 LEU A 14 -4.923 -5.062 4.576 1.00 0.00 C ATOM 0 H LEU A 14 -7.200 -5.285 4.708 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.040 -7.843 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.451 -5.557 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.581 -7.008 7.362 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.101 -5.141 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.699 -6.525 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.315 -7.472 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.063 -7.644 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.012 -4.672 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.416 -5.738 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.592 -4.235 4.814 1.00 0.00 H new ATOM 213 N LYS A 15 -8.815 -7.427 6.613 1.00 0.00 N ATOM 214 CA LYS A 15 -9.854 -8.124 7.412 1.00 0.00 C ATOM 215 C LYS A 15 -10.253 -9.443 6.746 1.00 0.00 C ATOM 216 O LYS A 15 -10.275 -10.480 7.374 1.00 0.00 O ATOM 217 CB LYS A 15 -11.072 -7.200 7.489 1.00 0.00 C ATOM 218 CG LYS A 15 -12.011 -7.639 8.614 1.00 0.00 C ATOM 219 CD LYS A 15 -13.388 -6.961 8.440 1.00 0.00 C ATOM 220 CE LYS A 15 -14.289 -7.816 7.539 1.00 0.00 C ATOM 221 NZ LYS A 15 -14.551 -9.125 8.203 1.00 0.00 N ATOM 0 H LYS A 15 -9.055 -6.475 6.336 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.470 -8.352 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.746 -6.174 7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.605 -7.212 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.125 -8.723 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.584 -7.373 9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.860 -6.824 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.261 -5.970 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.229 -7.298 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.811 -7.975 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.564 -9.350 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.001 -9.870 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.271 -9.069 9.203 1.00 0.00 H new ATOM 235 N VAL A 16 -10.591 -9.418 5.492 1.00 0.00 N ATOM 236 CA VAL A 16 -11.013 -10.669 4.824 1.00 0.00 C ATOM 237 C VAL A 16 -9.851 -11.669 4.749 1.00 0.00 C ATOM 238 O VAL A 16 -9.995 -12.785 5.177 1.00 0.00 O ATOM 239 CB VAL A 16 -11.567 -10.308 3.428 1.00 0.00 C ATOM 240 CG1 VAL A 16 -11.240 -11.398 2.403 1.00 0.00 C ATOM 241 CG2 VAL A 16 -13.087 -10.141 3.506 1.00 0.00 C ATOM 0 H VAL A 16 -10.593 -8.585 4.903 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.798 -11.160 5.399 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.099 -9.377 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.643 -11.115 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.159 -11.514 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.685 -12.341 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.476 -9.886 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.539 -11.073 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.330 -9.344 4.209 1.00 0.00 H new ATOM 251 N ILE A 17 -8.715 -11.315 4.201 1.00 0.00 N ATOM 252 CA ILE A 17 -7.608 -12.329 4.121 1.00 0.00 C ATOM 253 C ILE A 17 -7.438 -12.974 5.497 1.00 0.00 C ATOM 254 O ILE A 17 -7.428 -14.181 5.631 1.00 0.00 O ATOM 255 CB ILE A 17 -6.276 -11.673 3.668 1.00 0.00 C ATOM 256 CG1 ILE A 17 -6.571 -10.317 3.020 1.00 0.00 C ATOM 257 CG2 ILE A 17 -5.568 -12.571 2.647 1.00 0.00 C ATOM 258 CD1 ILE A 17 -5.295 -9.719 2.416 1.00 0.00 C ATOM 0 H ILE A 17 -8.505 -10.395 3.814 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.869 -13.085 3.381 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.633 -11.539 4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.327 -10.436 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.983 -9.634 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.635 -12.102 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.354 -13.539 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.211 -12.711 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.525 -8.756 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.551 -9.581 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.901 -10.395 1.657 1.00 0.00 H new ATOM 270 N GLU A 18 -7.337 -12.178 6.518 1.00 0.00 N ATOM 271 CA GLU A 18 -7.201 -12.747 7.879 1.00 0.00 C ATOM 272 C GLU A 18 -8.411 -13.648 8.150 1.00 0.00 C ATOM 273 O GLU A 18 -8.366 -14.528 8.986 1.00 0.00 O ATOM 274 CB GLU A 18 -7.173 -11.607 8.914 1.00 0.00 C ATOM 275 CG GLU A 18 -5.973 -10.649 8.659 1.00 0.00 C ATOM 276 CD GLU A 18 -4.912 -10.807 9.759 1.00 0.00 C ATOM 277 OE1 GLU A 18 -4.267 -11.841 9.789 1.00 0.00 O ATOM 278 OE2 GLU A 18 -4.767 -9.890 10.550 1.00 0.00 O ATOM 0 H GLU A 18 -7.343 -11.159 6.469 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.277 -13.321 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.106 -11.046 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.102 -12.025 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.531 -10.863 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.324 -9.617 8.630 1.00 0.00 H new ATOM 285 N LYS A 19 -9.509 -13.409 7.461 1.00 0.00 N ATOM 286 CA LYS A 19 -10.752 -14.219 7.681 1.00 0.00 C ATOM 287 C LYS A 19 -11.299 -14.737 6.339 1.00 0.00 C ATOM 288 O LYS A 19 -12.495 -14.848 6.152 1.00 0.00 O ATOM 289 CB LYS A 19 -11.796 -13.301 8.338 1.00 0.00 C ATOM 290 CG LYS A 19 -11.304 -12.858 9.739 1.00 0.00 C ATOM 291 CD LYS A 19 -11.803 -11.442 10.075 1.00 0.00 C ATOM 292 CE LYS A 19 -13.325 -11.369 9.918 1.00 0.00 C ATOM 293 NZ LYS A 19 -13.944 -12.603 10.482 1.00 0.00 N ATOM 0 H LYS A 19 -9.595 -12.681 6.751 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.531 -15.078 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.970 -12.426 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.748 -13.824 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.659 -13.561 10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.215 -12.881 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.522 -11.182 11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.327 -10.715 9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.712 -10.488 10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.588 -11.266 8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.906 -12.388 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.988 -13.337 9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.371 -12.946 11.279 1.00 0.00 H new ATOM 307 N ALA A 20 -10.437 -15.035 5.401 1.00 0.00 N ATOM 308 CA ALA A 20 -10.909 -15.522 4.067 1.00 0.00 C ATOM 309 C ALA A 20 -11.615 -16.874 4.203 1.00 0.00 C ATOM 310 O ALA A 20 -12.438 -17.227 3.385 1.00 0.00 O ATOM 311 CB ALA A 20 -9.712 -15.665 3.119 1.00 0.00 C ATOM 0 H ALA A 20 -9.424 -14.962 5.500 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.616 -14.797 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.057 -16.020 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.225 -14.697 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.002 -16.380 3.535 1.00 0.00 H new ATOM 317 N ASP A 21 -11.280 -17.638 5.207 1.00 0.00 N ATOM 318 CA ASP A 21 -11.907 -18.982 5.386 1.00 0.00 C ATOM 319 C ASP A 21 -11.423 -19.923 4.276 1.00 0.00 C ATOM 320 O ASP A 21 -11.260 -21.109 4.482 1.00 0.00 O ATOM 321 CB ASP A 21 -13.437 -18.856 5.329 1.00 0.00 C ATOM 322 CG ASP A 21 -13.868 -17.566 6.032 1.00 0.00 C ATOM 323 OD1 ASP A 21 -13.188 -17.168 6.962 1.00 0.00 O ATOM 324 OD2 ASP A 21 -14.870 -17.001 5.627 1.00 0.00 O ATOM 0 H ASP A 21 -10.593 -17.388 5.918 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.620 -19.388 6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.774 -18.848 4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.902 -19.717 5.809 1.00 0.00 H new ATOM 329 N ASN A 22 -11.183 -19.398 3.107 1.00 0.00 N ATOM 330 CA ASN A 22 -10.697 -20.251 1.980 1.00 0.00 C ATOM 331 C ASN A 22 -9.869 -19.398 1.014 1.00 0.00 C ATOM 332 O ASN A 22 -10.075 -18.207 0.890 1.00 0.00 O ATOM 333 CB ASN A 22 -11.889 -20.854 1.233 1.00 0.00 C ATOM 334 CG ASN A 22 -12.935 -21.328 2.239 1.00 0.00 C ATOM 335 OD1 ASN A 22 -13.894 -20.517 2.586 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -12.878 -22.445 2.717 1.00 0.00 N flip ATOM 0 H ASN A 22 -11.302 -18.411 2.880 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.079 -21.055 2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.324 -20.113 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.559 -21.689 0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.127 -23.079 2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.582 -22.748 3.390 1.00 0.00 H new ATOM 343 N ALA A 23 -8.937 -19.999 0.328 1.00 0.00 N ATOM 344 CA ALA A 23 -8.101 -19.223 -0.630 1.00 0.00 C ATOM 345 C ALA A 23 -9.005 -18.428 -1.578 1.00 0.00 C ATOM 346 O ALA A 23 -8.574 -17.495 -2.220 1.00 0.00 O ATOM 347 CB ALA A 23 -7.232 -20.191 -1.445 1.00 0.00 C ATOM 0 H ALA A 23 -8.718 -20.993 0.389 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.463 -18.533 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.619 -19.626 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.587 -20.755 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.873 -20.880 -1.995 1.00 0.00 H new ATOM 353 N ALA A 24 -10.248 -18.799 -1.687 1.00 0.00 N ATOM 354 CA ALA A 24 -11.163 -18.069 -2.611 1.00 0.00 C ATOM 355 C ALA A 24 -11.374 -16.626 -2.138 1.00 0.00 C ATOM 356 O ALA A 24 -11.169 -15.690 -2.886 1.00 0.00 O ATOM 357 CB ALA A 24 -12.509 -18.791 -2.663 1.00 0.00 C ATOM 0 H ALA A 24 -10.672 -19.575 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.714 -18.046 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.181 -18.260 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.362 -19.809 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.945 -18.819 -1.665 1.00 0.00 H new ATOM 363 N GLN A 25 -11.797 -16.426 -0.916 1.00 0.00 N ATOM 364 CA GLN A 25 -12.026 -15.030 -0.442 1.00 0.00 C ATOM 365 C GLN A 25 -10.700 -14.266 -0.398 1.00 0.00 C ATOM 366 O GLN A 25 -10.682 -13.052 -0.350 1.00 0.00 O ATOM 367 CB GLN A 25 -12.660 -15.054 0.955 1.00 0.00 C ATOM 368 CG GLN A 25 -14.167 -15.450 0.870 1.00 0.00 C ATOM 369 CD GLN A 25 -14.447 -16.696 1.721 1.00 0.00 C ATOM 370 OE1 GLN A 25 -14.693 -16.596 2.906 1.00 0.00 O ATOM 371 NE2 GLN A 25 -14.422 -17.874 1.158 1.00 0.00 N ATOM 0 H GLN A 25 -11.991 -17.159 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.701 -14.526 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.128 -15.763 1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.562 -14.074 1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.786 -14.621 1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.440 -15.643 -0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.216 -17.959 0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.609 -18.709 1.713 1.00 0.00 H new ATOM 380 N VAL A 26 -9.590 -14.950 -0.432 1.00 0.00 N ATOM 381 CA VAL A 26 -8.290 -14.235 -0.411 1.00 0.00 C ATOM 382 C VAL A 26 -8.116 -13.532 -1.766 1.00 0.00 C ATOM 383 O VAL A 26 -7.817 -12.357 -1.833 1.00 0.00 O ATOM 384 CB VAL A 26 -7.154 -15.255 -0.180 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.819 -14.668 -0.645 1.00 0.00 C ATOM 386 CG2 VAL A 26 -7.059 -15.633 1.310 1.00 0.00 C ATOM 0 H VAL A 26 -9.530 -15.967 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.261 -13.498 0.392 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.377 -16.152 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.024 -15.395 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.876 -14.431 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.605 -13.760 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.253 -16.353 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.856 -14.739 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.001 -16.075 1.634 1.00 0.00 H new ATOM 396 N LYS A 27 -8.306 -14.247 -2.842 1.00 0.00 N ATOM 397 CA LYS A 27 -8.159 -13.628 -4.192 1.00 0.00 C ATOM 398 C LYS A 27 -9.089 -12.424 -4.305 1.00 0.00 C ATOM 399 O LYS A 27 -8.783 -11.435 -4.943 1.00 0.00 O ATOM 400 CB LYS A 27 -8.538 -14.645 -5.271 1.00 0.00 C ATOM 401 CG LYS A 27 -7.735 -15.930 -5.063 1.00 0.00 C ATOM 402 CD LYS A 27 -8.237 -17.033 -6.007 1.00 0.00 C ATOM 403 CE LYS A 27 -8.295 -16.521 -7.451 1.00 0.00 C ATOM 404 NZ LYS A 27 -8.271 -17.682 -8.387 1.00 0.00 N ATOM 0 H LYS A 27 -8.557 -15.236 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.124 -13.314 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.606 -14.859 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.337 -14.234 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.678 -15.739 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.825 -16.259 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.576 -17.898 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.226 -17.366 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.200 -15.934 -7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.450 -15.862 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.310 -17.338 -9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.395 -18.224 -8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.091 -18.294 -8.202 1.00 0.00 H new ATOM 418 N ASP A 28 -10.231 -12.519 -3.698 1.00 0.00 N ATOM 419 CA ASP A 28 -11.222 -11.409 -3.760 1.00 0.00 C ATOM 420 C ASP A 28 -10.656 -10.159 -3.090 1.00 0.00 C ATOM 421 O ASP A 28 -10.495 -9.137 -3.710 1.00 0.00 O ATOM 422 CB ASP A 28 -12.511 -11.861 -3.039 1.00 0.00 C ATOM 423 CG ASP A 28 -13.754 -11.352 -3.786 1.00 0.00 C ATOM 424 OD1 ASP A 28 -13.951 -11.760 -4.919 1.00 0.00 O ATOM 425 OD2 ASP A 28 -14.484 -10.561 -3.210 1.00 0.00 O ATOM 0 H ASP A 28 -10.528 -13.328 -3.153 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.443 -11.168 -4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.537 -12.949 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.514 -11.483 -2.017 1.00 0.00 H new ATOM 430 N ALA A 29 -10.377 -10.236 -1.824 1.00 0.00 N ATOM 431 CA ALA A 29 -9.860 -9.036 -1.096 1.00 0.00 C ATOM 432 C ALA A 29 -8.654 -8.425 -1.815 1.00 0.00 C ATOM 433 O ALA A 29 -8.582 -7.226 -2.002 1.00 0.00 O ATOM 434 CB ALA A 29 -9.453 -9.443 0.323 1.00 0.00 C ATOM 0 H ALA A 29 -10.483 -11.076 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.652 -8.288 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.075 -8.571 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.319 -9.844 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.674 -10.204 0.274 1.00 0.00 H new ATOM 440 N LEU A 30 -7.697 -9.215 -2.196 1.00 0.00 N ATOM 441 CA LEU A 30 -6.503 -8.635 -2.868 1.00 0.00 C ATOM 442 C LEU A 30 -6.925 -7.896 -4.142 1.00 0.00 C ATOM 443 O LEU A 30 -6.318 -6.919 -4.529 1.00 0.00 O ATOM 444 CB LEU A 30 -5.505 -9.751 -3.191 1.00 0.00 C ATOM 445 CG LEU A 30 -4.769 -10.179 -1.898 1.00 0.00 C ATOM 446 CD1 LEU A 30 -4.244 -11.613 -2.029 1.00 0.00 C ATOM 447 CD2 LEU A 30 -3.575 -9.244 -1.645 1.00 0.00 C ATOM 0 H LEU A 30 -7.686 -10.228 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.023 -7.918 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.026 -10.605 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.786 -9.406 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.475 -10.123 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.729 -11.897 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.079 -12.292 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.550 -11.671 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.060 -9.549 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.885 -9.299 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.932 -8.220 -1.534 1.00 0.00 H new ATOM 459 N THR A 31 -7.964 -8.329 -4.792 1.00 0.00 N ATOM 460 CA THR A 31 -8.409 -7.612 -6.011 1.00 0.00 C ATOM 461 C THR A 31 -8.953 -6.234 -5.594 1.00 0.00 C ATOM 462 O THR A 31 -8.797 -5.245 -6.292 1.00 0.00 O ATOM 463 CB THR A 31 -9.490 -8.445 -6.712 1.00 0.00 C ATOM 464 OG1 THR A 31 -8.876 -9.531 -7.388 1.00 0.00 O ATOM 465 CG2 THR A 31 -10.248 -7.587 -7.722 1.00 0.00 C ATOM 0 H THR A 31 -8.521 -9.143 -4.533 1.00 0.00 H new ATOM 0 HA THR A 31 -7.581 -7.469 -6.706 1.00 0.00 H new ATOM 0 HB THR A 31 -10.192 -8.817 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.748 -10.275 -6.763 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.012 -8.191 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.721 -6.751 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.553 -7.205 -8.470 1.00 0.00 H new ATOM 473 N LYS A 32 -9.572 -6.156 -4.445 1.00 0.00 N ATOM 474 CA LYS A 32 -10.104 -4.841 -3.985 1.00 0.00 C ATOM 475 C LYS A 32 -8.909 -3.964 -3.643 1.00 0.00 C ATOM 476 O LYS A 32 -8.902 -2.776 -3.890 1.00 0.00 O ATOM 477 CB LYS A 32 -11.029 -4.992 -2.752 1.00 0.00 C ATOM 478 CG LYS A 32 -11.807 -6.319 -2.800 1.00 0.00 C ATOM 479 CD LYS A 32 -12.861 -6.317 -3.940 1.00 0.00 C ATOM 480 CE LYS A 32 -12.930 -7.699 -4.624 1.00 0.00 C ATOM 481 NZ LYS A 32 -14.290 -7.895 -5.198 1.00 0.00 N ATOM 0 H LYS A 32 -9.731 -6.939 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.708 -4.395 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.434 -4.949 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.729 -4.158 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.111 -7.145 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.303 -6.486 -1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.839 -6.057 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.606 -5.554 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.178 -7.767 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.710 -8.486 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.341 -8.825 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.998 -7.847 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.482 -7.150 -5.898 1.00 0.00 H new ATOM 495 N MET A 33 -7.880 -4.555 -3.099 1.00 0.00 N ATOM 496 CA MET A 33 -6.672 -3.763 -2.770 1.00 0.00 C ATOM 497 C MET A 33 -6.218 -3.064 -4.050 1.00 0.00 C ATOM 498 O MET A 33 -5.997 -1.883 -4.059 1.00 0.00 O ATOM 499 CB MET A 33 -5.562 -4.704 -2.277 1.00 0.00 C ATOM 500 CG MET A 33 -5.539 -4.799 -0.746 1.00 0.00 C ATOM 501 SD MET A 33 -3.938 -5.483 -0.236 1.00 0.00 S ATOM 502 CE MET A 33 -4.550 -6.863 0.759 1.00 0.00 C ATOM 0 H MET A 33 -7.828 -5.548 -2.871 1.00 0.00 H new ATOM 0 HA MET A 33 -6.888 -3.034 -1.989 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.711 -5.697 -2.701 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.596 -4.347 -2.634 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.689 -3.814 -0.303 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.352 -5.434 -0.394 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.726 -7.538 0.991 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.979 -6.481 1.686 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.315 -7.403 0.201 1.00 0.00 H new ATOM 512 N ARG A 34 -6.095 -3.794 -5.134 1.00 0.00 N ATOM 513 CA ARG A 34 -5.674 -3.173 -6.427 1.00 0.00 C ATOM 514 C ARG A 34 -6.386 -1.824 -6.586 1.00 0.00 C ATOM 515 O ARG A 34 -5.784 -0.811 -6.889 1.00 0.00 O ATOM 516 CB ARG A 34 -6.096 -4.126 -7.567 1.00 0.00 C ATOM 517 CG ARG A 34 -4.862 -4.669 -8.304 1.00 0.00 C ATOM 518 CD ARG A 34 -3.976 -5.503 -7.351 1.00 0.00 C ATOM 519 NE ARG A 34 -2.604 -4.921 -7.333 1.00 0.00 N ATOM 520 CZ ARG A 34 -1.906 -4.850 -8.435 1.00 0.00 C ATOM 521 NH1 ARG A 34 -2.430 -5.234 -9.567 1.00 0.00 N ATOM 522 NH2 ARG A 34 -0.684 -4.397 -8.399 1.00 0.00 N ATOM 0 H ARG A 34 -6.269 -4.798 -5.177 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.596 -3.011 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.676 -4.954 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.742 -3.598 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.178 -5.285 -9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.284 -3.841 -8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.399 -5.502 -6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.941 -6.541 -7.681 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.209 -4.577 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.386 -5.590 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.884 -5.178 -10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.276 -4.100 -7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.136 -4.340 -9.257 1.00 0.00 H new ATOM 536 N ALA A 35 -7.665 -1.819 -6.365 1.00 0.00 N ATOM 537 CA ALA A 35 -8.429 -0.550 -6.482 1.00 0.00 C ATOM 538 C ALA A 35 -7.971 0.412 -5.377 1.00 0.00 C ATOM 539 O ALA A 35 -7.587 1.536 -5.636 1.00 0.00 O ATOM 540 CB ALA A 35 -9.921 -0.852 -6.335 1.00 0.00 C ATOM 0 H ALA A 35 -8.216 -2.638 -6.108 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.252 -0.089 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.490 0.074 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.232 -1.542 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.106 -1.304 -5.361 1.00 0.00 H new ATOM 546 N ALA A 36 -8.007 -0.030 -4.148 1.00 0.00 N ATOM 547 CA ALA A 36 -7.574 0.839 -3.013 1.00 0.00 C ATOM 548 C ALA A 36 -6.063 1.102 -3.090 1.00 0.00 C ATOM 549 O ALA A 36 -5.552 2.018 -2.476 1.00 0.00 O ATOM 550 CB ALA A 36 -7.892 0.126 -1.693 1.00 0.00 C ATOM 0 H ALA A 36 -8.320 -0.963 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.103 1.790 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.580 0.752 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.964 -0.058 -1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.358 -0.824 -1.655 1.00 0.00 H new ATOM 556 N ALA A 37 -5.342 0.290 -3.815 1.00 0.00 N ATOM 557 CA ALA A 37 -3.864 0.471 -3.904 1.00 0.00 C ATOM 558 C ALA A 37 -3.525 1.802 -4.573 1.00 0.00 C ATOM 559 O ALA A 37 -3.000 2.706 -3.952 1.00 0.00 O ATOM 560 CB ALA A 37 -3.264 -0.689 -4.713 1.00 0.00 C ATOM 0 H ALA A 37 -5.714 -0.494 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.444 0.477 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.183 -0.564 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.489 -1.633 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.694 -0.694 -5.715 1.00 0.00 H new ATOM 566 N LEU A 38 -3.790 1.924 -5.839 1.00 0.00 N ATOM 567 CA LEU A 38 -3.437 3.194 -6.526 1.00 0.00 C ATOM 568 C LEU A 38 -4.265 4.346 -5.955 1.00 0.00 C ATOM 569 O LEU A 38 -3.867 5.502 -5.993 1.00 0.00 O ATOM 570 CB LEU A 38 -3.681 3.071 -8.027 1.00 0.00 C ATOM 571 CG LEU A 38 -2.819 1.919 -8.614 1.00 0.00 C ATOM 572 CD1 LEU A 38 -3.581 1.210 -9.740 1.00 0.00 C ATOM 573 CD2 LEU A 38 -1.509 2.482 -9.179 1.00 0.00 C ATOM 0 H LEU A 38 -4.229 1.212 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.379 3.399 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.737 2.879 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.433 4.010 -8.522 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.602 1.208 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.967 0.405 -10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.510 0.796 -9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.809 1.924 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.910 1.669 -9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.732 3.201 -9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.953 2.977 -8.383 1.00 0.00 H new ATOM 585 N ASP A 39 -5.402 4.053 -5.388 1.00 0.00 N ATOM 586 CA ASP A 39 -6.205 5.152 -4.802 1.00 0.00 C ATOM 587 C ASP A 39 -5.338 5.778 -3.722 1.00 0.00 C ATOM 588 O ASP A 39 -5.265 6.983 -3.584 1.00 0.00 O ATOM 589 CB ASP A 39 -7.491 4.596 -4.186 1.00 0.00 C ATOM 590 CG ASP A 39 -8.371 5.754 -3.710 1.00 0.00 C ATOM 591 OD1 ASP A 39 -8.296 6.812 -4.311 1.00 0.00 O ATOM 592 OD2 ASP A 39 -9.103 5.563 -2.753 1.00 0.00 O ATOM 0 H ASP A 39 -5.801 3.118 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.492 5.883 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.028 3.995 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.252 3.939 -3.350 1.00 0.00 H new ATOM 597 N ALA A 40 -4.636 4.960 -2.990 1.00 0.00 N ATOM 598 CA ALA A 40 -3.723 5.501 -1.959 1.00 0.00 C ATOM 599 C ALA A 40 -2.655 6.344 -2.663 1.00 0.00 C ATOM 600 O ALA A 40 -2.124 7.279 -2.099 1.00 0.00 O ATOM 601 CB ALA A 40 -3.075 4.357 -1.183 1.00 0.00 C ATOM 0 H ALA A 40 -4.658 3.943 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.275 6.119 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.405 4.764 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.849 3.761 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.508 3.727 -1.869 1.00 0.00 H new ATOM 607 N GLN A 41 -2.349 6.032 -3.913 1.00 0.00 N ATOM 608 CA GLN A 41 -1.328 6.845 -4.659 1.00 0.00 C ATOM 609 C GLN A 41 -1.671 8.316 -4.446 1.00 0.00 C ATOM 610 O GLN A 41 -0.813 9.163 -4.305 1.00 0.00 O ATOM 611 CB GLN A 41 -1.390 6.534 -6.172 1.00 0.00 C ATOM 612 CG GLN A 41 -0.081 6.951 -6.858 1.00 0.00 C ATOM 613 CD GLN A 41 0.150 8.450 -6.660 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.844 9.280 -6.827 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 1.247 8.872 -6.349 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.759 5.259 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.328 6.609 -4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.564 5.469 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.229 7.062 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.754 6.387 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.126 6.718 -7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.024 8.225 -6.218 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.390 9.873 -6.219 1.00 0.00 H new ATOM 624 N LYS A 42 -2.943 8.606 -4.422 1.00 0.00 N ATOM 625 CA LYS A 42 -3.396 10.013 -4.218 1.00 0.00 C ATOM 626 C LYS A 42 -3.590 10.283 -2.722 1.00 0.00 C ATOM 627 O LYS A 42 -2.780 10.931 -2.089 1.00 0.00 O ATOM 628 CB LYS A 42 -4.718 10.228 -4.953 1.00 0.00 C ATOM 629 CG LYS A 42 -4.569 9.768 -6.398 1.00 0.00 C ATOM 630 CD LYS A 42 -5.774 10.247 -7.224 1.00 0.00 C ATOM 631 CE LYS A 42 -5.478 10.102 -8.728 1.00 0.00 C ATOM 632 NZ LYS A 42 -6.576 9.327 -9.371 1.00 0.00 N ATOM 0 H LYS A 42 -3.694 7.925 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.644 10.697 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.516 9.671 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.998 11.281 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.646 10.163 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.498 8.681 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.658 9.666 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.995 11.288 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.392 11.085 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.524 9.595 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.381 9.226 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.637 8.385 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.478 9.828 -9.240 1.00 0.00 H new ATOM 646 N ALA A 43 -4.659 9.793 -2.151 1.00 0.00 N ATOM 647 CA ALA A 43 -4.904 10.028 -0.697 1.00 0.00 C ATOM 648 C ALA A 43 -4.099 9.022 0.127 1.00 0.00 C ATOM 649 O ALA A 43 -4.464 7.872 0.254 1.00 0.00 O ATOM 650 CB ALA A 43 -6.392 9.854 -0.392 1.00 0.00 C ATOM 0 H ALA A 43 -5.372 9.241 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.595 11.041 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.568 10.026 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.969 10.570 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.701 8.841 -0.652 1.00 0.00 H new ATOM 656 N THR A 44 -3.000 9.455 0.688 1.00 0.00 N ATOM 657 CA THR A 44 -2.142 8.546 1.512 1.00 0.00 C ATOM 658 C THR A 44 -1.748 9.296 2.797 1.00 0.00 C ATOM 659 O THR A 44 -1.746 10.511 2.820 1.00 0.00 O ATOM 660 CB THR A 44 -0.908 8.160 0.671 1.00 0.00 C ATOM 661 OG1 THR A 44 0.187 7.848 1.511 1.00 0.00 O ATOM 662 CG2 THR A 44 -0.526 9.317 -0.258 1.00 0.00 C ATOM 0 H THR A 44 -2.655 10.412 0.610 1.00 0.00 H new ATOM 0 HA THR A 44 -2.665 7.632 1.794 1.00 0.00 H new ATOM 0 HB THR A 44 -1.158 7.282 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.961 7.604 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.346 9.037 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.359 9.539 -0.925 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.293 10.200 0.337 1.00 0.00 H new ATOM 916 N PHE A 61 6.151 9.355 -7.016 1.00 0.00 N ATOM 917 CA PHE A 61 5.752 8.752 -5.720 1.00 0.00 C ATOM 918 C PHE A 61 5.073 7.416 -6.022 1.00 0.00 C ATOM 919 O PHE A 61 5.341 6.417 -5.384 1.00 0.00 O ATOM 920 CB PHE A 61 4.800 9.708 -4.980 1.00 0.00 C ATOM 921 CG PHE A 61 4.807 9.417 -3.491 1.00 0.00 C ATOM 922 CD1 PHE A 61 6.004 9.511 -2.757 1.00 0.00 C ATOM 923 CD2 PHE A 61 3.616 9.068 -2.837 1.00 0.00 C ATOM 924 CE1 PHE A 61 6.005 9.252 -1.383 1.00 0.00 C ATOM 925 CE2 PHE A 61 3.625 8.812 -1.460 1.00 0.00 C ATOM 926 CZ PHE A 61 4.818 8.902 -0.735 1.00 0.00 C ATOM 0 HA PHE A 61 6.617 8.585 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.102 10.740 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.789 9.600 -5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.923 9.783 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.694 8.997 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.925 9.323 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.708 8.544 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.821 8.701 0.326 1.00 0.00 H new ATOM 936 N ARG A 62 4.225 7.378 -7.022 1.00 0.00 N ATOM 937 CA ARG A 62 3.577 6.086 -7.386 1.00 0.00 C ATOM 938 C ARG A 62 4.676 5.050 -7.569 1.00 0.00 C ATOM 939 O ARG A 62 4.494 3.888 -7.289 1.00 0.00 O ATOM 940 CB ARG A 62 2.780 6.247 -8.685 1.00 0.00 C ATOM 941 CG ARG A 62 2.080 4.918 -9.072 1.00 0.00 C ATOM 942 CD ARG A 62 2.849 4.248 -10.207 1.00 0.00 C ATOM 943 NE ARG A 62 2.640 5.012 -11.467 1.00 0.00 N ATOM 944 CZ ARG A 62 3.425 4.806 -12.490 1.00 0.00 C ATOM 945 NH1 ARG A 62 4.363 3.904 -12.421 1.00 0.00 N ATOM 946 NH2 ARG A 62 3.266 5.500 -13.583 1.00 0.00 N ATOM 0 H ARG A 62 3.958 8.179 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 62 2.888 5.771 -6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.035 7.034 -8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.446 6.560 -9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.034 4.254 -8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.053 5.112 -9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.911 4.207 -9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.510 3.220 -10.332 1.00 0.00 H new ATOM 0 HE ARG A 62 1.885 5.695 -11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.484 3.359 -11.568 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.976 3.743 -13.220 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.529 6.203 -13.638 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.879 5.340 -14.383 1.00 0.00 H new ATOM 960 N HIS A 63 5.838 5.465 -7.996 1.00 0.00 N ATOM 961 CA HIS A 63 6.943 4.481 -8.132 1.00 0.00 C ATOM 962 C HIS A 63 7.137 3.836 -6.757 1.00 0.00 C ATOM 963 O HIS A 63 7.448 2.671 -6.636 1.00 0.00 O ATOM 964 CB HIS A 63 8.234 5.188 -8.572 1.00 0.00 C ATOM 965 CG HIS A 63 9.200 4.177 -9.137 1.00 0.00 C ATOM 966 ND1 HIS A 63 8.940 3.479 -10.306 1.00 0.00 N ATOM 967 CD2 HIS A 63 10.426 3.736 -8.703 1.00 0.00 C ATOM 968 CE1 HIS A 63 9.987 2.664 -10.534 1.00 0.00 C ATOM 969 NE2 HIS A 63 10.921 2.782 -9.587 1.00 0.00 N ATOM 0 H HIS A 63 6.065 6.426 -8.252 1.00 0.00 H new ATOM 0 HA HIS A 63 6.704 3.730 -8.885 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.007 5.947 -9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.686 5.702 -7.724 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.930 4.078 -7.811 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.062 1.996 -11.380 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.807 2.281 -9.525 1.00 0.00 H new ATOM 977 N GLY A 64 6.925 4.603 -5.714 1.00 0.00 N ATOM 978 CA GLY A 64 7.064 4.058 -4.327 1.00 0.00 C ATOM 979 C GLY A 64 5.904 3.093 -4.044 1.00 0.00 C ATOM 980 O GLY A 64 6.105 1.959 -3.650 1.00 0.00 O ATOM 0 H GLY A 64 6.661 5.587 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.017 3.540 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.061 4.872 -3.602 1.00 0.00 H new ATOM 984 N PHE A 65 4.690 3.531 -4.256 1.00 0.00 N ATOM 985 CA PHE A 65 3.513 2.647 -4.017 1.00 0.00 C ATOM 986 C PHE A 65 3.545 1.525 -5.048 1.00 0.00 C ATOM 987 O PHE A 65 3.192 0.397 -4.777 1.00 0.00 O ATOM 988 CB PHE A 65 2.234 3.471 -4.258 1.00 0.00 C ATOM 989 CG PHE A 65 1.608 3.925 -2.964 1.00 0.00 C ATOM 990 CD1 PHE A 65 0.772 3.063 -2.249 1.00 0.00 C ATOM 991 CD2 PHE A 65 1.838 5.220 -2.505 1.00 0.00 C ATOM 992 CE1 PHE A 65 0.168 3.501 -1.066 1.00 0.00 C ATOM 993 CE2 PHE A 65 1.232 5.660 -1.332 1.00 0.00 C ATOM 994 CZ PHE A 65 0.395 4.803 -0.608 1.00 0.00 C ATOM 0 H PHE A 65 4.463 4.469 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 65 3.533 2.247 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.472 4.340 -4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.516 2.872 -4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.593 2.061 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.486 5.882 -3.059 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.473 2.835 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.408 6.666 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.074 5.146 0.302 1.00 0.00 H new ATOM 1004 N ASP A 66 3.939 1.846 -6.236 1.00 0.00 N ATOM 1005 CA ASP A 66 3.960 0.826 -7.305 1.00 0.00 C ATOM 1006 C ASP A 66 4.703 -0.415 -6.795 1.00 0.00 C ATOM 1007 O ASP A 66 4.272 -1.533 -6.991 1.00 0.00 O ATOM 1008 CB ASP A 66 4.685 1.385 -8.526 1.00 0.00 C ATOM 1009 CG ASP A 66 4.787 0.303 -9.600 1.00 0.00 C ATOM 1010 OD1 ASP A 66 3.803 0.084 -10.287 1.00 0.00 O ATOM 1011 OD2 ASP A 66 5.848 -0.289 -9.718 1.00 0.00 O ATOM 0 H ASP A 66 4.250 2.776 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 66 2.940 0.559 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.148 2.250 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.681 1.728 -8.245 1.00 0.00 H new ATOM 1016 N ILE A 67 5.811 -0.219 -6.129 1.00 0.00 N ATOM 1017 CA ILE A 67 6.580 -1.373 -5.588 1.00 0.00 C ATOM 1018 C ILE A 67 5.742 -2.118 -4.547 1.00 0.00 C ATOM 1019 O ILE A 67 5.370 -3.261 -4.734 1.00 0.00 O ATOM 1020 CB ILE A 67 7.850 -0.841 -4.923 1.00 0.00 C ATOM 1021 CG1 ILE A 67 8.695 -0.069 -5.965 1.00 0.00 C ATOM 1022 CG2 ILE A 67 8.647 -2.008 -4.325 1.00 0.00 C ATOM 1023 CD1 ILE A 67 9.642 -1.014 -6.716 1.00 0.00 C ATOM 0 H ILE A 67 6.216 0.697 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 67 6.832 -2.058 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 67 7.586 -0.157 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.036 0.430 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.273 0.709 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.552 -1.626 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.038 -2.522 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.919 -2.706 -5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.223 -0.445 -7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.316 -1.493 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.060 -1.776 -7.234 1.00 0.00 H new ATOM 1035 N LEU A 68 5.458 -1.484 -3.437 1.00 0.00 N ATOM 1036 CA LEU A 68 4.663 -2.168 -2.379 1.00 0.00 C ATOM 1037 C LEU A 68 3.350 -2.693 -2.977 1.00 0.00 C ATOM 1038 O LEU A 68 2.873 -3.747 -2.610 1.00 0.00 O ATOM 1039 CB LEU A 68 4.432 -1.201 -1.189 1.00 0.00 C ATOM 1040 CG LEU A 68 3.224 -0.259 -1.424 1.00 0.00 C ATOM 1041 CD1 LEU A 68 1.919 -0.895 -0.898 1.00 0.00 C ATOM 1042 CD2 LEU A 68 3.458 1.080 -0.680 1.00 0.00 C ATOM 0 H LEU A 68 5.741 -0.528 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 68 5.210 -3.028 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.268 -1.780 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.330 -0.604 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 68 3.130 -0.087 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.086 -0.215 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.737 -1.835 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.012 -1.085 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.608 1.742 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.566 0.889 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.365 1.552 -1.058 1.00 0.00 H new ATOM 1054 N VAL A 69 2.764 -1.989 -3.904 1.00 0.00 N ATOM 1055 CA VAL A 69 1.504 -2.484 -4.521 1.00 0.00 C ATOM 1056 C VAL A 69 1.799 -3.752 -5.344 1.00 0.00 C ATOM 1057 O VAL A 69 0.918 -4.549 -5.619 1.00 0.00 O ATOM 1058 CB VAL A 69 0.913 -1.372 -5.405 1.00 0.00 C ATOM 1059 CG1 VAL A 69 -0.157 -1.948 -6.327 1.00 0.00 C ATOM 1060 CG2 VAL A 69 0.289 -0.299 -4.506 1.00 0.00 C ATOM 0 H VAL A 69 3.102 -1.095 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 69 0.778 -2.742 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 69 1.705 -0.935 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.569 -1.153 -6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.286 -2.714 -6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.954 -2.390 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.133 0.494 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.500 -0.745 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.055 0.119 -3.853 1.00 0.00 H new ATOM 1070 N GLY A 70 3.031 -3.938 -5.744 1.00 0.00 N ATOM 1071 CA GLY A 70 3.392 -5.138 -6.560 1.00 0.00 C ATOM 1072 C GLY A 70 3.364 -6.411 -5.711 1.00 0.00 C ATOM 1073 O GLY A 70 2.774 -7.400 -6.097 1.00 0.00 O ATOM 0 H GLY A 70 3.806 -3.308 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.696 -5.238 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.385 -5.005 -6.988 1.00 0.00 H new ATOM 1077 N GLN A 71 4.001 -6.419 -4.573 1.00 0.00 N ATOM 1078 CA GLN A 71 3.994 -7.664 -3.753 1.00 0.00 C ATOM 1079 C GLN A 71 2.590 -7.910 -3.206 1.00 0.00 C ATOM 1080 O GLN A 71 2.242 -9.016 -2.843 1.00 0.00 O ATOM 1081 CB GLN A 71 4.999 -7.554 -2.598 1.00 0.00 C ATOM 1082 CG GLN A 71 4.549 -6.468 -1.603 1.00 0.00 C ATOM 1083 CD GLN A 71 3.564 -7.064 -0.599 1.00 0.00 C ATOM 1084 OE1 GLN A 71 2.578 -6.448 -0.252 1.00 0.00 O ATOM 1085 NE2 GLN A 71 3.804 -8.247 -0.119 1.00 0.00 N ATOM 0 H GLN A 71 4.518 -5.632 -4.180 1.00 0.00 H new ATOM 0 HA GLN A 71 4.287 -8.503 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.083 -8.513 -2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.988 -7.313 -2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.414 -6.060 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.082 -5.642 -2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.635 -8.759 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.161 -8.664 0.554 1.00 0.00 H new ATOM 1094 N ILE A 72 1.765 -6.901 -3.172 1.00 0.00 N ATOM 1095 CA ILE A 72 0.375 -7.115 -2.679 1.00 0.00 C ATOM 1096 C ILE A 72 -0.285 -8.139 -3.614 1.00 0.00 C ATOM 1097 O ILE A 72 -0.680 -9.222 -3.217 1.00 0.00 O ATOM 1098 CB ILE A 72 -0.409 -5.776 -2.733 1.00 0.00 C ATOM 1099 CG1 ILE A 72 -0.294 -5.070 -1.379 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -1.899 -6.013 -3.048 1.00 0.00 C ATOM 1101 CD1 ILE A 72 -0.850 -3.635 -1.460 1.00 0.00 C ATOM 0 H ILE A 72 1.988 -5.948 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 72 0.377 -7.473 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 72 0.019 -5.161 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.840 -5.634 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.750 -5.043 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.421 -5.057 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.992 -6.509 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.339 -6.642 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.758 -3.154 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.286 -3.068 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.900 -3.668 -1.750 1.00 0.00 H new ATOM 1113 N ASP A 73 -0.415 -7.780 -4.861 1.00 0.00 N ATOM 1114 CA ASP A 73 -1.059 -8.689 -5.843 1.00 0.00 C ATOM 1115 C ASP A 73 -0.271 -9.988 -5.961 1.00 0.00 C ATOM 1116 O ASP A 73 -0.829 -11.030 -6.201 1.00 0.00 O ATOM 1117 CB ASP A 73 -1.127 -7.997 -7.205 1.00 0.00 C ATOM 1118 CG ASP A 73 0.276 -7.893 -7.813 1.00 0.00 C ATOM 1119 OD1 ASP A 73 0.713 -8.860 -8.417 1.00 0.00 O ATOM 1120 OD2 ASP A 73 0.890 -6.850 -7.663 1.00 0.00 O ATOM 0 H ASP A 73 -0.099 -6.888 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.067 -8.925 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.781 -8.557 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.559 -7.002 -7.095 1.00 0.00 H new ATOM 1125 N ASP A 74 1.018 -9.959 -5.817 1.00 0.00 N ATOM 1126 CA ASP A 74 1.750 -11.236 -5.961 1.00 0.00 C ATOM 1127 C ASP A 74 1.253 -12.209 -4.900 1.00 0.00 C ATOM 1128 O ASP A 74 1.302 -13.409 -5.082 1.00 0.00 O ATOM 1129 CB ASP A 74 3.250 -11.002 -5.846 1.00 0.00 C ATOM 1130 CG ASP A 74 3.992 -12.316 -6.093 1.00 0.00 C ATOM 1131 OD1 ASP A 74 3.363 -13.250 -6.564 1.00 0.00 O ATOM 1132 OD2 ASP A 74 5.177 -12.367 -5.808 1.00 0.00 O ATOM 0 H ASP A 74 1.582 -9.134 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 74 1.564 -11.664 -6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.568 -10.251 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.494 -10.615 -4.857 1.00 0.00 H new ATOM 1137 N ALA A 75 0.711 -11.719 -3.819 1.00 0.00 N ATOM 1138 CA ALA A 75 0.154 -12.660 -2.820 1.00 0.00 C ATOM 1139 C ALA A 75 -1.091 -13.253 -3.473 1.00 0.00 C ATOM 1140 O ALA A 75 -1.402 -14.419 -3.336 1.00 0.00 O ATOM 1141 CB ALA A 75 -0.227 -11.932 -1.537 1.00 0.00 C ATOM 0 H ALA A 75 0.632 -10.728 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 75 0.881 -13.424 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.633 -12.646 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.657 -11.455 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.978 -11.173 -1.758 1.00 0.00 H new ATOM 1147 N LEU A 76 -1.769 -12.432 -4.235 1.00 0.00 N ATOM 1148 CA LEU A 76 -2.976 -12.886 -4.986 1.00 0.00 C ATOM 1149 C LEU A 76 -2.537 -14.051 -5.872 1.00 0.00 C ATOM 1150 O LEU A 76 -3.212 -15.050 -6.014 1.00 0.00 O ATOM 1151 CB LEU A 76 -3.456 -11.696 -5.844 1.00 0.00 C ATOM 1152 CG LEU A 76 -4.946 -11.814 -6.206 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -5.456 -10.479 -6.779 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -5.149 -12.913 -7.253 1.00 0.00 C ATOM 0 H LEU A 76 -1.531 -11.449 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.787 -13.209 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.287 -10.766 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.863 -11.645 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.502 -12.063 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.512 -10.572 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.329 -9.692 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.888 -10.227 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.208 -12.988 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.582 -12.669 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.802 -13.866 -6.852 1.00 0.00 H new ATOM 1166 N LYS A 77 -1.378 -13.915 -6.444 1.00 0.00 N ATOM 1167 CA LYS A 77 -0.812 -14.971 -7.317 1.00 0.00 C ATOM 1168 C LYS A 77 -0.583 -16.246 -6.504 1.00 0.00 C ATOM 1169 O LYS A 77 -0.921 -17.346 -6.908 1.00 0.00 O ATOM 1170 CB LYS A 77 0.523 -14.432 -7.842 1.00 0.00 C ATOM 1171 CG LYS A 77 0.917 -15.121 -9.144 1.00 0.00 C ATOM 1172 CD LYS A 77 2.247 -14.514 -9.671 1.00 0.00 C ATOM 1173 CE LYS A 77 3.430 -15.401 -9.264 1.00 0.00 C ATOM 1174 NZ LYS A 77 3.361 -16.692 -10.008 1.00 0.00 N ATOM 0 H LYS A 77 -0.784 -13.092 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.486 -15.214 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.447 -13.357 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.301 -14.587 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.034 -16.192 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.129 -14.996 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.208 -14.422 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.381 -13.509 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.370 -14.894 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.407 -15.586 -8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.321 -17.069 -10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.792 -17.374 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.921 -16.534 -10.937 1.00 0.00 H new ATOM 1188 N LEU A 78 -0.012 -16.088 -5.359 1.00 0.00 N ATOM 1189 CA LEU A 78 0.272 -17.231 -4.477 1.00 0.00 C ATOM 1190 C LEU A 78 -1.046 -17.892 -4.050 1.00 0.00 C ATOM 1191 O LEU A 78 -1.260 -19.059 -4.280 1.00 0.00 O ATOM 1192 CB LEU A 78 1.009 -16.652 -3.270 1.00 0.00 C ATOM 1193 CG LEU A 78 2.522 -16.883 -3.387 1.00 0.00 C ATOM 1194 CD1 LEU A 78 3.087 -16.024 -4.520 1.00 0.00 C ATOM 1195 CD2 LEU A 78 3.185 -16.494 -2.073 1.00 0.00 C ATOM 0 H LEU A 78 0.279 -15.184 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 78 0.872 -17.995 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.805 -15.584 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.636 -17.114 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 78 2.718 -17.933 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.161 -16.190 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.606 -16.298 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.897 -14.972 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.261 -16.655 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.989 -15.442 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.781 -17.106 -1.266 1.00 0.00 H new ATOM 1207 N ALA A 79 -1.920 -17.153 -3.424 1.00 0.00 N ATOM 1208 CA ALA A 79 -3.217 -17.737 -2.974 1.00 0.00 C ATOM 1209 C ALA A 79 -3.812 -18.615 -4.081 1.00 0.00 C ATOM 1210 O ALA A 79 -4.420 -19.632 -3.813 1.00 0.00 O ATOM 1211 CB ALA A 79 -4.193 -16.608 -2.641 1.00 0.00 C ATOM 0 H ALA A 79 -1.792 -16.165 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.044 -18.349 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.142 -17.032 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.777 -15.990 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.358 -15.996 -3.528 1.00 0.00 H new ATOM 1217 N ASN A 80 -3.628 -18.253 -5.325 1.00 0.00 N ATOM 1218 CA ASN A 80 -4.175 -19.109 -6.420 1.00 0.00 C ATOM 1219 C ASN A 80 -3.427 -20.440 -6.394 1.00 0.00 C ATOM 1220 O ASN A 80 -3.945 -21.470 -6.777 1.00 0.00 O ATOM 1221 CB ASN A 80 -3.983 -18.427 -7.780 1.00 0.00 C ATOM 1222 CG ASN A 80 -4.266 -16.929 -7.656 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -5.243 -16.506 -6.900 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 -3.594 -16.126 -8.269 1.00 0.00 N flip ATOM 0 H ASN A 80 -3.131 -17.415 -5.627 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.243 -19.268 -6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.965 -18.585 -8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.651 -18.872 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.829 -16.448 -8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.794 -15.129 -8.192 1.00 0.00 H new ATOM 1231 N GLU A 81 -2.209 -20.421 -5.923 1.00 0.00 N ATOM 1232 CA GLU A 81 -1.410 -21.677 -5.840 1.00 0.00 C ATOM 1233 C GLU A 81 -1.737 -22.382 -4.514 1.00 0.00 C ATOM 1234 O GLU A 81 -1.184 -23.414 -4.190 1.00 0.00 O ATOM 1235 CB GLU A 81 0.082 -21.328 -5.892 1.00 0.00 C ATOM 1236 CG GLU A 81 0.922 -22.610 -5.978 1.00 0.00 C ATOM 1237 CD GLU A 81 2.333 -22.267 -6.459 1.00 0.00 C ATOM 1238 OE1 GLU A 81 2.664 -21.093 -6.481 1.00 0.00 O ATOM 1239 OE2 GLU A 81 3.061 -23.186 -6.799 1.00 0.00 O ATOM 0 H GLU A 81 -1.731 -19.584 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.652 -22.336 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.285 -20.693 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.361 -20.760 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.967 -23.094 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.455 -23.318 -6.663 1.00 0.00 H new ATOM 1246 N GLY A 82 -2.664 -21.841 -3.758 1.00 0.00 N ATOM 1247 CA GLY A 82 -3.067 -22.481 -2.466 1.00 0.00 C ATOM 1248 C GLY A 82 -2.211 -21.977 -1.297 1.00 0.00 C ATOM 1249 O GLY A 82 -1.853 -22.736 -0.417 1.00 0.00 O ATOM 0 H GLY A 82 -3.161 -20.979 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.118 -22.270 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.970 -23.563 -2.549 1.00 0.00 H new ATOM 1253 N LYS A 83 -1.894 -20.707 -1.260 1.00 0.00 N ATOM 1254 CA LYS A 83 -1.079 -20.164 -0.125 1.00 0.00 C ATOM 1255 C LYS A 83 -2.005 -19.503 0.892 1.00 0.00 C ATOM 1256 O LYS A 83 -1.925 -18.321 1.151 1.00 0.00 O ATOM 1257 CB LYS A 83 -0.105 -19.118 -0.659 1.00 0.00 C ATOM 1258 CG LYS A 83 0.793 -19.705 -1.766 1.00 0.00 C ATOM 1259 CD LYS A 83 1.257 -21.132 -1.432 1.00 0.00 C ATOM 1260 CE LYS A 83 2.376 -21.538 -2.394 1.00 0.00 C ATOM 1261 NZ LYS A 83 3.515 -20.588 -2.256 1.00 0.00 N ATOM 0 H LYS A 83 -2.163 -20.021 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.529 -20.977 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.661 -18.267 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.515 -18.745 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.248 -19.712 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.663 -19.064 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.612 -21.180 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.421 -21.827 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.707 -22.554 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.008 -21.535 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.411 -21.116 -2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.501 -19.912 -3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.429 -20.072 -1.357 1.00 0.00 H new ATOM 1275 N VAL A 84 -2.884 -20.266 1.464 1.00 0.00 N ATOM 1276 CA VAL A 84 -3.830 -19.700 2.471 1.00 0.00 C ATOM 1277 C VAL A 84 -3.056 -19.099 3.653 1.00 0.00 C ATOM 1278 O VAL A 84 -3.320 -17.992 4.079 1.00 0.00 O ATOM 1279 CB VAL A 84 -4.750 -20.811 2.991 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -5.803 -20.207 3.921 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -5.454 -21.498 1.818 1.00 0.00 C ATOM 0 H VAL A 84 -2.994 -21.263 1.281 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.420 -18.918 1.994 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.152 -21.543 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.457 -20.996 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.309 -19.721 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.394 -19.473 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.106 -22.286 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.049 -20.766 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.710 -21.932 1.150 1.00 0.00 H new ATOM 1291 N LYS A 85 -2.116 -19.826 4.199 1.00 0.00 N ATOM 1292 CA LYS A 85 -1.342 -19.312 5.363 1.00 0.00 C ATOM 1293 C LYS A 85 -0.346 -18.241 4.902 1.00 0.00 C ATOM 1294 O LYS A 85 -0.270 -17.163 5.457 1.00 0.00 O ATOM 1295 CB LYS A 85 -0.597 -20.492 6.039 1.00 0.00 C ATOM 1296 CG LYS A 85 -0.456 -21.677 5.064 1.00 0.00 C ATOM 1297 CD LYS A 85 0.681 -22.601 5.523 1.00 0.00 C ATOM 1298 CE LYS A 85 0.408 -23.114 6.948 1.00 0.00 C ATOM 1299 NZ LYS A 85 1.005 -22.171 7.936 1.00 0.00 N ATOM 0 H LYS A 85 -1.851 -20.760 3.885 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.022 -18.858 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.390 -20.165 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.140 -20.810 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.392 -22.234 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.253 -21.309 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.774 -23.443 4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.629 -22.063 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.665 -23.202 7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.833 -24.109 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.565 -22.705 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.620 -21.494 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.246 -21.655 8.426 1.00 0.00 H new ATOM 1313 N GLU A 86 0.421 -18.546 3.906 1.00 0.00 N ATOM 1314 CA GLU A 86 1.432 -17.587 3.394 1.00 0.00 C ATOM 1315 C GLU A 86 0.731 -16.314 2.889 1.00 0.00 C ATOM 1316 O GLU A 86 1.181 -15.212 3.134 1.00 0.00 O ATOM 1317 CB GLU A 86 2.201 -18.294 2.256 1.00 0.00 C ATOM 1318 CG GLU A 86 3.654 -18.578 2.671 1.00 0.00 C ATOM 1319 CD GLU A 86 4.474 -17.289 2.583 1.00 0.00 C ATOM 1320 OE1 GLU A 86 4.811 -16.898 1.477 1.00 0.00 O ATOM 1321 OE2 GLU A 86 4.752 -16.716 3.624 1.00 0.00 O ATOM 0 H GLU A 86 0.392 -19.438 3.412 1.00 0.00 H new ATOM 0 HA GLU A 86 2.127 -17.286 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.702 -19.229 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.189 -17.671 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.682 -18.970 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.086 -19.341 2.023 1.00 0.00 H new ATOM 1328 N ALA A 87 -0.364 -16.454 2.193 1.00 0.00 N ATOM 1329 CA ALA A 87 -1.078 -15.244 1.687 1.00 0.00 C ATOM 1330 C ALA A 87 -1.516 -14.383 2.875 1.00 0.00 C ATOM 1331 O ALA A 87 -1.329 -13.182 2.883 1.00 0.00 O ATOM 1332 CB ALA A 87 -2.310 -15.665 0.882 1.00 0.00 C ATOM 0 H ALA A 87 -0.794 -17.347 1.953 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.409 -14.673 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.826 -14.777 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.000 -16.279 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.983 -16.239 1.520 1.00 0.00 H new ATOM 1338 N GLN A 88 -2.086 -14.985 3.887 1.00 0.00 N ATOM 1339 CA GLN A 88 -2.515 -14.188 5.074 1.00 0.00 C ATOM 1340 C GLN A 88 -1.267 -13.572 5.719 1.00 0.00 C ATOM 1341 O GLN A 88 -1.274 -12.438 6.154 1.00 0.00 O ATOM 1342 CB GLN A 88 -3.234 -15.102 6.090 1.00 0.00 C ATOM 1343 CG GLN A 88 -4.740 -15.090 5.825 1.00 0.00 C ATOM 1344 CD GLN A 88 -5.445 -15.983 6.847 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -5.664 -15.584 7.974 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -5.811 -17.183 6.498 1.00 0.00 N ATOM 0 H GLN A 88 -2.272 -15.986 3.943 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.205 -13.402 4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.850 -16.119 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.032 -14.762 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.123 -14.072 5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.945 -15.444 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.627 -17.517 5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.282 -17.788 7.171 1.00 0.00 H new ATOM 1355 N ALA A 89 -0.192 -14.310 5.776 1.00 0.00 N ATOM 1356 CA ALA A 89 1.055 -13.761 6.382 1.00 0.00 C ATOM 1357 C ALA A 89 1.505 -12.560 5.554 1.00 0.00 C ATOM 1358 O ALA A 89 1.926 -11.543 6.079 1.00 0.00 O ATOM 1359 CB ALA A 89 2.149 -14.830 6.373 1.00 0.00 C ATOM 0 H ALA A 89 -0.123 -15.267 5.430 1.00 0.00 H new ATOM 0 HA ALA A 89 0.867 -13.458 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.058 -14.424 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.818 -15.694 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.351 -15.135 5.346 1.00 0.00 H new ATOM 1365 N ALA A 90 1.393 -12.658 4.260 1.00 0.00 N ATOM 1366 CA ALA A 90 1.789 -11.513 3.403 1.00 0.00 C ATOM 1367 C ALA A 90 0.894 -10.336 3.772 1.00 0.00 C ATOM 1368 O ALA A 90 1.236 -9.187 3.585 1.00 0.00 O ATOM 1369 CB ALA A 90 1.585 -11.878 1.932 1.00 0.00 C ATOM 0 H ALA A 90 1.046 -13.478 3.762 1.00 0.00 H new ATOM 0 HA ALA A 90 2.838 -11.260 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.876 -11.036 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.198 -12.745 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.535 -12.114 1.758 1.00 0.00 H new ATOM 1375 N ALA A 91 -0.252 -10.629 4.315 1.00 0.00 N ATOM 1376 CA ALA A 91 -1.189 -9.554 4.728 1.00 0.00 C ATOM 1377 C ALA A 91 -0.541 -8.728 5.849 1.00 0.00 C ATOM 1378 O ALA A 91 -0.504 -7.515 5.801 1.00 0.00 O ATOM 1379 CB ALA A 91 -2.490 -10.207 5.221 1.00 0.00 C ATOM 0 H ALA A 91 -0.582 -11.578 4.492 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.413 -8.892 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.192 -9.432 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.930 -10.795 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.272 -10.857 6.068 1.00 0.00 H new ATOM 1385 N GLU A 92 -0.026 -9.384 6.854 1.00 0.00 N ATOM 1386 CA GLU A 92 0.622 -8.648 7.978 1.00 0.00 C ATOM 1387 C GLU A 92 1.839 -7.889 7.444 1.00 0.00 C ATOM 1388 O GLU A 92 2.377 -7.022 8.104 1.00 0.00 O ATOM 1389 CB GLU A 92 1.048 -9.650 9.070 1.00 0.00 C ATOM 1390 CG GLU A 92 -0.090 -9.834 10.095 1.00 0.00 C ATOM 1391 CD GLU A 92 0.022 -11.208 10.764 1.00 0.00 C ATOM 1392 OE1 GLU A 92 -0.546 -12.149 10.237 1.00 0.00 O ATOM 1393 OE2 GLU A 92 0.676 -11.294 11.791 1.00 0.00 O ATOM 0 H GLU A 92 -0.026 -10.400 6.945 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.079 -7.935 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.298 -10.609 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.946 -9.291 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.041 -9.049 10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.056 -9.740 9.599 1.00 0.00 H new ATOM 1400 N GLN A 93 2.265 -8.190 6.249 1.00 0.00 N ATOM 1401 CA GLN A 93 3.422 -7.464 5.678 1.00 0.00 C ATOM 1402 C GLN A 93 2.932 -6.085 5.281 1.00 0.00 C ATOM 1403 O GLN A 93 3.596 -5.096 5.494 1.00 0.00 O ATOM 1404 CB GLN A 93 3.977 -8.274 4.464 1.00 0.00 C ATOM 1405 CG GLN A 93 3.586 -7.685 3.078 1.00 0.00 C ATOM 1406 CD GLN A 93 4.495 -6.505 2.742 1.00 0.00 C ATOM 1407 OE1 GLN A 93 4.697 -6.185 1.589 1.00 0.00 O ATOM 1408 NE2 GLN A 93 5.056 -5.841 3.706 1.00 0.00 N ATOM 0 H GLN A 93 1.860 -8.907 5.647 1.00 0.00 H new ATOM 0 HA GLN A 93 4.239 -7.355 6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.064 -8.317 4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.613 -9.299 4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.672 -8.453 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.545 -7.362 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.887 -6.109 4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.666 -5.051 3.494 1.00 0.00 H new ATOM 1417 N LEU A 94 1.768 -6.020 4.713 1.00 0.00 N ATOM 1418 CA LEU A 94 1.223 -4.712 4.289 1.00 0.00 C ATOM 1419 C LEU A 94 0.836 -3.880 5.518 1.00 0.00 C ATOM 1420 O LEU A 94 1.047 -2.683 5.564 1.00 0.00 O ATOM 1421 CB LEU A 94 0.015 -4.953 3.359 1.00 0.00 C ATOM 1422 CG LEU A 94 -0.073 -3.873 2.272 1.00 0.00 C ATOM 1423 CD1 LEU A 94 -0.133 -2.500 2.910 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.140 -3.943 1.335 1.00 0.00 C ATOM 0 H LEU A 94 1.167 -6.822 4.523 1.00 0.00 H new ATOM 0 HA LEU A 94 1.977 -4.148 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.101 -5.935 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.904 -4.958 3.946 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.978 -4.049 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.195 -1.740 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.012 -2.435 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.765 -2.336 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.056 -3.168 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.053 -3.789 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.174 -4.921 0.856 1.00 0.00 H new ATOM 1436 N LYS A 95 0.289 -4.497 6.523 1.00 0.00 N ATOM 1437 CA LYS A 95 -0.078 -3.724 7.739 1.00 0.00 C ATOM 1438 C LYS A 95 1.156 -2.957 8.224 1.00 0.00 C ATOM 1439 O LYS A 95 1.209 -1.736 8.203 1.00 0.00 O ATOM 1440 CB LYS A 95 -0.541 -4.693 8.835 1.00 0.00 C ATOM 1441 CG LYS A 95 -1.935 -5.251 8.486 1.00 0.00 C ATOM 1442 CD LYS A 95 -2.241 -6.546 9.304 1.00 0.00 C ATOM 1443 CE LYS A 95 -3.496 -6.354 10.169 1.00 0.00 C ATOM 1444 NZ LYS A 95 -3.612 -7.482 11.136 1.00 0.00 N ATOM 0 H LYS A 95 0.081 -5.495 6.557 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.883 -3.026 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.173 -5.510 8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.575 -4.180 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.695 -4.497 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.986 -5.470 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.386 -7.386 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.389 -6.792 9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.440 -5.406 10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.383 -6.311 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.176 -7.180 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.078 -8.289 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.663 -7.766 11.454 1.00 0.00 H new ATOM 1458 N THR A 96 2.151 -3.670 8.669 1.00 0.00 N ATOM 1459 CA THR A 96 3.377 -2.997 9.165 1.00 0.00 C ATOM 1460 C THR A 96 4.125 -2.313 8.013 1.00 0.00 C ATOM 1461 O THR A 96 4.955 -1.457 8.247 1.00 0.00 O ATOM 1462 CB THR A 96 4.291 -4.019 9.858 1.00 0.00 C ATOM 1463 OG1 THR A 96 3.492 -5.009 10.489 1.00 0.00 O ATOM 1464 CG2 THR A 96 5.153 -3.311 10.910 1.00 0.00 C ATOM 0 H THR A 96 2.166 -4.689 8.710 1.00 0.00 H new ATOM 0 HA THR A 96 3.086 -2.232 9.885 1.00 0.00 H new ATOM 0 HB THR A 96 4.940 -4.487 9.118 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.071 -5.664 10.931 1.00 0.00 H new ATOM 0 HG21 THR A 96 5.800 -4.039 11.400 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.764 -2.549 10.427 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.508 -2.841 11.653 1.00 0.00 H new ATOM 1472 N THR A 97 3.857 -2.663 6.767 1.00 0.00 N ATOM 1473 CA THR A 97 4.594 -1.979 5.655 1.00 0.00 C ATOM 1474 C THR A 97 4.488 -0.477 5.892 1.00 0.00 C ATOM 1475 O THR A 97 5.467 0.213 6.036 1.00 0.00 O ATOM 1476 CB THR A 97 3.982 -2.296 4.278 1.00 0.00 C ATOM 1477 OG1 THR A 97 4.284 -3.626 3.916 1.00 0.00 O ATOM 1478 CG2 THR A 97 4.562 -1.355 3.215 1.00 0.00 C ATOM 0 H THR A 97 3.180 -3.371 6.483 1.00 0.00 H new ATOM 0 HA THR A 97 5.627 -2.327 5.652 1.00 0.00 H new ATOM 0 HB THR A 97 2.902 -2.162 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.947 -4.237 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.123 -1.587 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.333 -0.323 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.643 -1.485 3.165 1.00 0.00 H new ATOM 1486 N ILE A 98 3.285 0.019 5.938 1.00 0.00 N ATOM 1487 CA ILE A 98 3.066 1.462 6.181 1.00 0.00 C ATOM 1488 C ILE A 98 3.695 1.863 7.519 1.00 0.00 C ATOM 1489 O ILE A 98 4.422 2.828 7.602 1.00 0.00 O ATOM 1490 CB ILE A 98 1.539 1.714 6.180 1.00 0.00 C ATOM 1491 CG1 ILE A 98 1.001 1.692 4.714 1.00 0.00 C ATOM 1492 CG2 ILE A 98 1.197 3.056 6.864 1.00 0.00 C ATOM 1493 CD1 ILE A 98 0.396 0.321 4.390 1.00 0.00 C ATOM 0 H ILE A 98 2.433 -0.527 5.815 1.00 0.00 H new ATOM 0 HA ILE A 98 3.535 2.066 5.404 1.00 0.00 H new ATOM 0 HB ILE A 98 1.056 0.919 6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.248 2.469 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.811 1.913 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.118 3.207 6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.547 3.038 7.896 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.685 3.871 6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.025 0.320 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.160 -0.449 4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.427 0.116 5.074 1.00 0.00 H new ATOM 1505 N ARG A 99 3.423 1.154 8.574 1.00 0.00 N ATOM 1506 CA ARG A 99 4.013 1.559 9.876 1.00 0.00 C ATOM 1507 C ARG A 99 5.555 1.550 9.812 1.00 0.00 C ATOM 1508 O ARG A 99 6.204 2.503 10.196 1.00 0.00 O ATOM 1509 CB ARG A 99 3.519 0.594 10.976 1.00 0.00 C ATOM 1510 CG ARG A 99 3.260 1.360 12.299 1.00 0.00 C ATOM 1511 CD ARG A 99 3.649 0.503 13.507 1.00 0.00 C ATOM 1512 NE ARG A 99 5.074 0.082 13.384 1.00 0.00 N ATOM 1513 CZ ARG A 99 5.728 -0.322 14.438 1.00 0.00 C ATOM 1514 NH1 ARG A 99 5.130 -0.368 15.597 1.00 0.00 N ATOM 1515 NH2 ARG A 99 6.978 -0.682 14.333 1.00 0.00 N ATOM 0 H ARG A 99 2.828 0.326 8.594 1.00 0.00 H new ATOM 0 HA ARG A 99 3.695 2.576 10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.603 0.101 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.261 -0.188 11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.832 2.288 12.306 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.207 1.635 12.366 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.504 1.068 14.428 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.004 -0.374 13.566 1.00 0.00 H new ATOM 0 HE ARG A 99 5.537 0.110 12.476 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.152 -0.088 15.678 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.640 -0.684 16.422 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.444 -0.648 13.426 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.489 -0.998 15.158 1.00 0.00 H new ATOM 1529 N ALA A 100 6.143 0.475 9.355 1.00 0.00 N ATOM 1530 CA ALA A 100 7.640 0.400 9.295 1.00 0.00 C ATOM 1531 C ALA A 100 8.195 1.471 8.352 1.00 0.00 C ATOM 1532 O ALA A 100 9.258 2.018 8.564 1.00 0.00 O ATOM 1533 CB ALA A 100 8.054 -0.981 8.783 1.00 0.00 C ATOM 0 H ALA A 100 5.655 -0.356 9.020 1.00 0.00 H new ATOM 0 HA ALA A 100 8.041 0.568 10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.141 -1.041 8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.676 -1.748 9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.640 -1.139 7.787 1.00 0.00 H new ATOM 1539 N TYR A 101 7.474 1.765 7.317 1.00 0.00 N ATOM 1540 CA TYR A 101 7.919 2.789 6.331 1.00 0.00 C ATOM 1541 C TYR A 101 7.860 4.168 6.998 1.00 0.00 C ATOM 1542 O TYR A 101 8.109 5.174 6.370 1.00 0.00 O ATOM 1543 CB TYR A 101 6.953 2.747 5.128 1.00 0.00 C ATOM 1544 CG TYR A 101 7.394 1.730 4.092 1.00 0.00 C ATOM 1545 CD1 TYR A 101 8.072 0.569 4.482 1.00 0.00 C ATOM 1546 CD2 TYR A 101 7.119 1.955 2.731 1.00 0.00 C ATOM 1547 CE1 TYR A 101 8.480 -0.363 3.519 1.00 0.00 C ATOM 1548 CE2 TYR A 101 7.526 1.021 1.771 1.00 0.00 C ATOM 1549 CZ TYR A 101 8.208 -0.136 2.165 1.00 0.00 C ATOM 1550 OH TYR A 101 8.610 -1.056 1.218 1.00 0.00 O ATOM 0 H TYR A 101 6.575 1.333 7.104 1.00 0.00 H new ATOM 0 HA TYR A 101 8.937 2.593 5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.949 2.502 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.899 3.734 4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.281 0.392 5.527 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.594 2.848 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.005 -1.257 3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.314 1.193 0.726 1.00 0.00 H new ATOM 0 HH TYR A 101 8.342 -0.747 0.327 1.00 0.00 H new ATOM 1560 N ASN A 102 7.469 4.200 8.254 1.00 0.00 N ATOM 1561 CA ASN A 102 7.307 5.490 9.002 1.00 0.00 C ATOM 1562 C ASN A 102 5.881 5.920 8.736 1.00 0.00 C ATOM 1563 O ASN A 102 5.634 6.950 8.140 1.00 0.00 O ATOM 1564 CB ASN A 102 8.288 6.576 8.504 1.00 0.00 C ATOM 1565 CG ASN A 102 8.521 7.610 9.610 1.00 0.00 C ATOM 1566 OD1 ASN A 102 9.465 7.507 10.367 1.00 0.00 O ATOM 1567 ND2 ASN A 102 7.690 8.609 9.733 1.00 0.00 N ATOM 0 H ASN A 102 7.251 3.368 8.802 1.00 0.00 H new ATOM 0 HA ASN A 102 7.520 5.355 10.063 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.235 6.119 8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.885 7.064 7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.833 9.304 10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.897 8.694 9.097 1.00 0.00 H new ATOM 1574 N GLN A 103 4.928 5.098 9.105 1.00 0.00 N ATOM 1575 CA GLN A 103 3.528 5.413 8.791 1.00 0.00 C ATOM 1576 C GLN A 103 3.509 5.794 7.309 1.00 0.00 C ATOM 1577 O GLN A 103 3.104 6.867 6.910 1.00 0.00 O ATOM 1578 CB GLN A 103 3.062 6.545 9.689 1.00 0.00 C ATOM 1579 CG GLN A 103 2.340 5.967 10.914 1.00 0.00 C ATOM 1580 CD GLN A 103 0.999 5.371 10.479 1.00 0.00 C ATOM 1581 OE1 GLN A 103 0.730 5.255 9.204 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 0.186 5.006 11.306 1.00 0.00 N flip ATOM 0 H GLN A 103 5.075 4.224 9.611 1.00 0.00 H new ATOM 0 HA GLN A 103 2.850 4.578 8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.915 7.145 10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.393 7.207 9.139 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.956 5.200 11.385 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.180 6.748 11.657 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.395 5.096 12.300 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.705 4.610 11.005 1.00 0.00 H new ATOM 1591 N LYS A 104 3.998 4.869 6.528 1.00 0.00 N ATOM 1592 CA LYS A 104 4.109 5.006 5.068 1.00 0.00 C ATOM 1593 C LYS A 104 5.077 6.144 4.722 1.00 0.00 C ATOM 1594 O LYS A 104 6.178 5.882 4.284 1.00 0.00 O ATOM 1595 CB LYS A 104 2.711 5.172 4.498 1.00 0.00 C ATOM 1596 CG LYS A 104 2.755 5.702 3.064 1.00 0.00 C ATOM 1597 CD LYS A 104 3.751 4.866 2.230 1.00 0.00 C ATOM 1598 CE LYS A 104 3.434 4.993 0.735 1.00 0.00 C ATOM 1599 NZ LYS A 104 4.675 4.746 -0.052 1.00 0.00 N ATOM 0 H LYS A 104 4.342 3.975 6.878 1.00 0.00 H new ATOM 0 HA LYS A 104 4.537 4.116 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.192 4.214 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.140 5.857 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.762 5.654 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.054 6.750 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.769 5.204 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.700 3.820 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.662 4.277 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.043 5.987 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.465 4.831 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.398 5.445 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.029 3.789 0.149 1.00 0.00 H new ATOM 1613 N TYR A 105 4.730 7.387 4.914 1.00 0.00 N ATOM 1614 CA TYR A 105 5.717 8.475 4.590 1.00 0.00 C ATOM 1615 C TYR A 105 5.566 9.636 5.582 1.00 0.00 C ATOM 1616 O TYR A 105 6.513 10.341 5.866 1.00 0.00 O ATOM 1617 CB TYR A 105 5.508 8.960 3.129 1.00 0.00 C ATOM 1618 CG TYR A 105 6.797 8.812 2.347 1.00 0.00 C ATOM 1619 CD1 TYR A 105 7.198 7.547 1.914 1.00 0.00 C ATOM 1620 CD2 TYR A 105 7.591 9.932 2.079 1.00 0.00 C ATOM 1621 CE1 TYR A 105 8.395 7.397 1.211 1.00 0.00 C ATOM 1622 CE2 TYR A 105 8.789 9.784 1.370 1.00 0.00 C ATOM 1623 CZ TYR A 105 9.192 8.517 0.937 1.00 0.00 C ATOM 1624 OH TYR A 105 10.375 8.369 0.243 1.00 0.00 O ATOM 0 H TYR A 105 3.828 7.700 5.273 1.00 0.00 H new ATOM 0 HA TYR A 105 6.730 8.081 4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.716 8.381 2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.188 10.002 3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.582 6.684 2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.280 10.909 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 105 8.707 6.418 0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.402 10.648 1.158 1.00 0.00 H new ATOM 0 HH TYR A 105 10.804 9.244 0.137 1.00 0.00 H new ATOM 1634 N GLY A 106 4.390 9.825 6.112 1.00 0.00 N ATOM 1635 CA GLY A 106 4.159 10.930 7.091 1.00 0.00 C ATOM 1636 C GLY A 106 4.874 12.213 6.642 1.00 0.00 C ATOM 1637 O GLY A 106 4.998 13.109 7.460 1.00 0.00 O ATOM 1638 OXT GLY A 106 5.283 12.279 5.494 1.00 0.00 O ATOM 0 H GLY A 106 3.568 9.256 5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.090 11.119 7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.521 10.632 8.075 1.00 0.00 H new