USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 954 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: B 41 TYR OH : rot 25:sc= 0.25 USER MOD Set 1.2: B 74 HIS : no HE2:sc= 0.796 K(o=1,f=-4.9!) USER MOD Set 2.1: A 27 TYR OH : rot -157:sc= 0.104 USER MOD Set 2.2: A 60 HIS : no HE2:sc= -1.69 K(o=-1.6,f=-7.8!) USER MOD Set 3.1: A 51 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 61 GLN : amide:sc= 0.14! C(o=1.4!,f=-12!) USER MOD Single : A 14 THR OG1 : rot 21:sc= 0.353 USER MOD Single : A 16 SER OG : rot 180:sc= 0.119 USER MOD Single : A 21 SER OG : rot -85:sc= 1.18 USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.635! (180deg=-1.43!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.022) USER MOD Single : A 26 GLN : amide:sc= 1.01 K(o=1,f=-6.8!) USER MOD Single : A 28 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 30 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 32 MET CE :methyl 165:sc= 0 (180deg=-0.239) USER MOD Single : A 36 TYR OH : rot -142:sc= 1.19 USER MOD Single : A 37 THR OG1 : rot 45:sc= 0.0456 USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= 0.515 (180deg=-0.719) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 45 MET CE :methyl -174:sc= -0.724 (180deg=-0.805) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 47 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.6!) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 2.36 (180deg=2.03) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 81:sc= 0.163 USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 2.1 (180deg=1.96) USER MOD Single : A 74 GLN : amide:sc= -1.41! C(o=-1.4!,f=-6.1!) USER MOD Single : A 76 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0014) USER MOD Single : A 77 THR OG1 : rot 63:sc= 0.264 USER MOD Single : B 29 MET CE :methyl -163:sc= -0.392 (180deg=-1.26) USER MOD Single : B 30 SER OG : rot -56:sc= 1.25 USER MOD Single : B 47 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 48 ASN : amide:sc= -2.27! K(o=-2.3!,f=-1.8) USER MOD Single : B 57 SER OG : rot 96:sc= 1.32 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.287 USER MOD Single : B 70 GLN : amide:sc= 0.489 K(o=0.49,f=-0.95) USER MOD Single : B 75 LYS NZ :NH3+ 168:sc= 1.29 (180deg=0.872) USER MOD Single : B 81 THR OG1 : rot 77:sc=-0.00316 USER MOD Single : B 83 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -15.537 -7.006 8.681 1.00 0.00 N ATOM 2 CA THR A 14 -15.590 -5.573 9.024 1.00 0.00 C ATOM 3 C THR A 14 -14.658 -4.760 8.124 1.00 0.00 C ATOM 4 O THR A 14 -13.526 -5.164 7.864 1.00 0.00 O ATOM 5 CB THR A 14 -15.200 -5.359 10.500 1.00 0.00 C ATOM 6 OG1 THR A 14 -15.838 -6.351 11.317 1.00 0.00 O ATOM 7 CG2 THR A 14 -15.605 -3.974 10.978 1.00 0.00 C ATOM 0 HA THR A 14 -16.613 -5.230 8.869 1.00 0.00 H new ATOM 0 HB THR A 14 -14.117 -5.450 10.583 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.098 -7.115 10.761 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.318 -3.851 12.022 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.104 -3.219 10.372 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.685 -3.857 10.883 1.00 0.00 H new ATOM 15 N VAL A 15 -15.161 -3.623 7.648 1.00 0.00 N ATOM 16 CA VAL A 15 -14.403 -2.723 6.768 1.00 0.00 C ATOM 17 C VAL A 15 -13.007 -2.426 7.319 1.00 0.00 C ATOM 18 O VAL A 15 -12.026 -2.422 6.577 1.00 0.00 O ATOM 19 CB VAL A 15 -15.144 -1.389 6.551 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.484 -0.575 5.447 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.609 -1.639 6.233 1.00 0.00 C ATOM 0 H VAL A 15 -16.104 -3.296 7.858 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.305 -3.244 5.815 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.086 -0.813 7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.025 0.362 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.451 -0.361 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.503 -1.142 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.116 -0.686 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.687 -2.239 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.075 -2.172 7.062 1.00 0.00 H new ATOM 31 N SER A 16 -12.928 -2.199 8.625 1.00 0.00 N ATOM 32 CA SER A 16 -11.666 -1.896 9.288 1.00 0.00 C ATOM 33 C SER A 16 -10.613 -2.975 9.029 1.00 0.00 C ATOM 34 O SER A 16 -9.453 -2.658 8.781 1.00 0.00 O ATOM 35 CB SER A 16 -11.907 -1.755 10.788 1.00 0.00 C ATOM 36 OG SER A 16 -13.287 -1.552 11.050 1.00 0.00 O ATOM 0 H SER A 16 -13.733 -2.220 9.251 1.00 0.00 H new ATOM 0 HA SER A 16 -11.284 -0.961 8.879 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.560 -2.650 11.304 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.329 -0.917 11.179 1.00 0.00 H new ATOM 0 HG SER A 16 -13.427 -1.465 12.016 1.00 0.00 H new ATOM 42 N GLU A 17 -11.028 -4.239 9.059 1.00 0.00 N ATOM 43 CA GLU A 17 -10.110 -5.360 8.846 1.00 0.00 C ATOM 44 C GLU A 17 -9.521 -5.336 7.437 1.00 0.00 C ATOM 45 O GLU A 17 -8.360 -5.692 7.230 1.00 0.00 O ATOM 46 CB GLU A 17 -10.828 -6.687 9.087 1.00 0.00 C ATOM 47 CG GLU A 17 -11.408 -6.817 10.485 1.00 0.00 C ATOM 48 CD GLU A 17 -12.435 -7.921 10.581 1.00 0.00 C ATOM 49 OE1 GLU A 17 -13.358 -7.946 9.741 1.00 0.00 O ATOM 50 OE2 GLU A 17 -12.331 -8.762 11.496 1.00 0.00 O ATOM 0 H GLU A 17 -11.995 -4.515 9.229 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.292 -5.259 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.631 -6.794 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.129 -7.506 8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.602 -7.011 11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.866 -5.872 10.775 1.00 0.00 H new ATOM 57 N TRP A 18 -10.321 -4.907 6.476 1.00 0.00 N ATOM 58 CA TRP A 18 -9.875 -4.829 5.094 1.00 0.00 C ATOM 59 C TRP A 18 -8.901 -3.663 4.925 1.00 0.00 C ATOM 60 O TRP A 18 -7.935 -3.746 4.171 1.00 0.00 O ATOM 61 CB TRP A 18 -11.080 -4.665 4.168 1.00 0.00 C ATOM 62 CG TRP A 18 -10.716 -4.483 2.729 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.202 -5.425 1.885 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.842 -3.282 1.965 1.00 0.00 C ATOM 65 NE1 TRP A 18 -10.001 -4.881 0.642 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.384 -3.564 0.665 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.295 -1.993 2.257 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.373 -2.604 -0.343 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.282 -1.041 1.257 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.822 -1.350 -0.029 1.00 0.00 C ATOM 0 H TRP A 18 -11.284 -4.607 6.627 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.358 -5.751 4.830 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.721 -5.542 4.263 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.664 -3.806 4.497 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -9.986 -6.448 2.156 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.627 -5.376 -0.168 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.649 -1.746 3.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.023 -2.840 -1.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.632 -0.042 1.470 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.822 -0.583 -0.789 1.00 0.00 H new ATOM 81 N LEU A 19 -9.163 -2.582 5.648 1.00 0.00 N ATOM 82 CA LEU A 19 -8.317 -1.398 5.592 1.00 0.00 C ATOM 83 C LEU A 19 -7.011 -1.605 6.362 1.00 0.00 C ATOM 84 O LEU A 19 -5.952 -1.151 5.931 1.00 0.00 O ATOM 85 CB LEU A 19 -9.067 -0.183 6.151 1.00 0.00 C ATOM 86 CG LEU A 19 -10.217 0.325 5.277 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.096 1.301 6.047 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.666 0.986 4.023 1.00 0.00 C ATOM 0 H LEU A 19 -9.958 -2.501 6.282 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.067 -1.218 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.463 -0.440 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.355 0.629 6.297 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.831 -0.528 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.905 1.647 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.515 0.802 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.498 2.154 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.491 1.344 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.031 1.827 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.080 0.262 3.458 1.00 0.00 H new ATOM 100 N GLU A 20 -7.081 -2.287 7.500 1.00 0.00 N ATOM 101 CA GLU A 20 -5.889 -2.525 8.310 1.00 0.00 C ATOM 102 C GLU A 20 -4.924 -3.502 7.634 1.00 0.00 C ATOM 103 O GLU A 20 -3.719 -3.304 7.695 1.00 0.00 O ATOM 104 CB GLU A 20 -6.257 -2.991 9.729 1.00 0.00 C ATOM 105 CG GLU A 20 -7.038 -4.291 9.790 1.00 0.00 C ATOM 106 CD GLU A 20 -6.245 -5.417 10.417 1.00 0.00 C ATOM 107 OE1 GLU A 20 -5.051 -5.560 10.094 1.00 0.00 O ATOM 108 OE2 GLU A 20 -6.816 -6.161 11.241 1.00 0.00 O ATOM 0 H GLU A 20 -7.941 -2.682 7.881 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.369 -1.572 8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.340 -3.107 10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.842 -2.209 10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.953 -4.134 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.336 -4.579 8.782 1.00 0.00 H new ATOM 115 N SER A 21 -5.450 -4.544 6.990 1.00 0.00 N ATOM 116 CA SER A 21 -4.604 -5.521 6.301 1.00 0.00 C ATOM 117 C SER A 21 -3.736 -4.868 5.228 1.00 0.00 C ATOM 118 O SER A 21 -2.566 -5.207 5.084 1.00 0.00 O ATOM 119 CB SER A 21 -5.449 -6.637 5.682 1.00 0.00 C ATOM 120 OG SER A 21 -6.644 -6.129 5.114 1.00 0.00 O ATOM 0 H SER A 21 -6.450 -4.733 6.930 1.00 0.00 H new ATOM 0 HA SER A 21 -3.942 -5.952 7.052 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.870 -7.151 4.915 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.693 -7.376 6.445 1.00 0.00 H new ATOM 0 HG SER A 21 -7.333 -6.061 5.808 1.00 0.00 H new ATOM 126 N ILE A 22 -4.304 -3.929 4.477 1.00 0.00 N ATOM 127 CA ILE A 22 -3.550 -3.243 3.440 1.00 0.00 C ATOM 128 C ILE A 22 -2.816 -2.038 4.031 1.00 0.00 C ATOM 129 O ILE A 22 -2.189 -1.269 3.310 1.00 0.00 O ATOM 130 CB ILE A 22 -4.449 -2.786 2.265 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.609 -1.915 2.774 1.00 0.00 C ATOM 132 CG2 ILE A 22 -4.967 -3.992 1.492 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.529 -1.407 1.679 1.00 0.00 C ATOM 0 H ILE A 22 -5.275 -3.630 4.568 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.828 -3.956 3.043 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.850 -2.179 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.196 -2.492 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.199 -1.062 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.597 -3.654 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.125 -4.559 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.550 -4.628 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.320 -0.801 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.958 -0.801 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.971 -2.253 1.153 1.00 0.00 H new ATOM 145 N LYS A 23 -2.930 -1.890 5.353 1.00 0.00 N ATOM 146 CA LYS A 23 -2.291 -0.806 6.105 1.00 0.00 C ATOM 147 C LYS A 23 -2.727 0.567 5.616 1.00 0.00 C ATOM 148 O LYS A 23 -1.925 1.489 5.483 1.00 0.00 O ATOM 149 CB LYS A 23 -0.764 -0.941 6.108 1.00 0.00 C ATOM 150 CG LYS A 23 -0.268 -2.071 7.000 1.00 0.00 C ATOM 151 CD LYS A 23 -0.980 -2.083 8.345 1.00 0.00 C ATOM 152 CE LYS A 23 -0.300 -3.016 9.331 1.00 0.00 C ATOM 153 NZ LYS A 23 0.843 -2.352 9.998 1.00 0.00 N ATOM 0 H LYS A 23 -3.474 -2.525 5.938 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.630 -0.899 7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.418 -1.112 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.322 -0.002 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.424 -3.026 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.805 -1.965 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.001 -1.073 8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.016 -2.392 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.020 -3.345 10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.048 -3.908 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.127 -2.904 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.643 -2.289 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.564 -1.395 10.295 1.00 0.00 H new ATOM 167 N MET A 24 -4.018 0.680 5.363 1.00 0.00 N ATOM 168 CA MET A 24 -4.636 1.931 4.947 1.00 0.00 C ATOM 169 C MET A 24 -5.684 2.276 5.985 1.00 0.00 C ATOM 170 O MET A 24 -6.666 2.964 5.717 1.00 0.00 O ATOM 171 CB MET A 24 -5.286 1.789 3.569 1.00 0.00 C ATOM 172 CG MET A 24 -4.294 1.453 2.477 1.00 0.00 C ATOM 173 SD MET A 24 -3.104 2.779 2.201 1.00 0.00 S ATOM 174 CE MET A 24 -1.612 1.844 1.868 1.00 0.00 C ATOM 0 H MET A 24 -4.674 -0.097 5.440 1.00 0.00 H new ATOM 0 HA MET A 24 -3.885 2.717 4.871 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.048 1.011 3.612 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.795 2.719 3.316 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.762 0.539 2.742 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.832 1.252 1.550 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.787 2.531 1.678 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.374 1.220 2.729 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.766 1.212 0.994 1.00 0.00 H new ATOM 184 N GLN A 25 -5.436 1.780 7.187 1.00 0.00 N ATOM 185 CA GLN A 25 -6.338 1.948 8.318 1.00 0.00 C ATOM 186 C GLN A 25 -6.654 3.400 8.649 1.00 0.00 C ATOM 187 O GLN A 25 -7.749 3.689 9.119 1.00 0.00 O ATOM 188 CB GLN A 25 -5.781 1.255 9.565 1.00 0.00 C ATOM 189 CG GLN A 25 -4.264 1.279 9.673 1.00 0.00 C ATOM 190 CD GLN A 25 -3.760 0.517 10.882 1.00 0.00 C ATOM 191 OE1 GLN A 25 -2.702 0.824 11.427 1.00 0.00 O ATOM 192 NE2 GLN A 25 -4.518 -0.480 11.313 1.00 0.00 N ATOM 0 H GLN A 25 -4.596 1.245 7.408 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.274 1.482 8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.204 1.731 10.450 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.117 0.218 9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.831 0.849 8.770 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.923 2.313 9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.390 -0.703 10.832 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.230 -1.025 12.126 1.00 0.00 H new ATOM 201 N GLN A 26 -5.740 4.331 8.405 1.00 0.00 N ATOM 202 CA GLN A 26 -5.996 5.720 8.734 1.00 0.00 C ATOM 203 C GLN A 26 -6.957 6.362 7.730 1.00 0.00 C ATOM 204 O GLN A 26 -7.330 7.521 7.874 1.00 0.00 O ATOM 205 CB GLN A 26 -4.675 6.505 8.796 1.00 0.00 C ATOM 206 CG GLN A 26 -3.889 6.532 7.485 1.00 0.00 C ATOM 207 CD GLN A 26 -2.847 5.428 7.395 1.00 0.00 C ATOM 208 OE1 GLN A 26 -3.052 4.318 7.890 1.00 0.00 O ATOM 209 NE2 GLN A 26 -1.719 5.734 6.771 1.00 0.00 N ATOM 0 H GLN A 26 -4.828 4.150 7.986 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.471 5.753 9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.891 7.530 9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.046 6.071 9.573 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.583 6.438 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.396 7.499 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.591 6.666 6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.978 5.038 6.686 1.00 0.00 H new ATOM 218 N TYR A 27 -7.359 5.613 6.711 1.00 0.00 N ATOM 219 CA TYR A 27 -8.286 6.126 5.716 1.00 0.00 C ATOM 220 C TYR A 27 -9.720 5.786 6.108 1.00 0.00 C ATOM 221 O TYR A 27 -10.659 6.004 5.339 1.00 0.00 O ATOM 222 CB TYR A 27 -7.960 5.567 4.328 1.00 0.00 C ATOM 223 CG TYR A 27 -6.714 6.174 3.723 1.00 0.00 C ATOM 224 CD1 TYR A 27 -6.773 7.377 3.030 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.480 5.553 3.856 1.00 0.00 C ATOM 226 CE1 TYR A 27 -5.635 7.943 2.487 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.339 6.111 3.314 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.421 7.307 2.632 1.00 0.00 C ATOM 229 OH TYR A 27 -3.288 7.870 2.093 1.00 0.00 O ATOM 0 H TYR A 27 -7.058 4.651 6.554 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.183 7.210 5.675 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.834 4.487 4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.805 5.747 3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.723 7.878 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.411 4.618 4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.697 8.879 1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.387 5.613 3.424 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.613 7.174 1.951 1.00 0.00 H new ATOM 239 N THR A 28 -9.886 5.268 7.320 1.00 0.00 N ATOM 240 CA THR A 28 -11.203 4.918 7.816 1.00 0.00 C ATOM 241 C THR A 28 -11.964 6.204 8.111 1.00 0.00 C ATOM 242 O THR A 28 -13.190 6.272 7.985 1.00 0.00 O ATOM 243 CB THR A 28 -11.118 4.031 9.075 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.256 2.914 8.825 1.00 0.00 O ATOM 245 CG2 THR A 28 -12.491 3.518 9.484 1.00 0.00 C ATOM 0 H THR A 28 -9.124 5.083 7.973 1.00 0.00 H new ATOM 0 HA THR A 28 -11.729 4.338 7.058 1.00 0.00 H new ATOM 0 HB THR A 28 -10.718 4.640 9.886 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.399 3.054 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.397 2.896 10.374 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.146 4.363 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.915 2.927 8.672 1.00 0.00 H new ATOM 253 N GLU A 29 -11.207 7.252 8.422 1.00 0.00 N ATOM 254 CA GLU A 29 -11.768 8.560 8.706 1.00 0.00 C ATOM 255 C GLU A 29 -11.943 9.316 7.385 1.00 0.00 C ATOM 256 O GLU A 29 -11.637 10.506 7.283 1.00 0.00 O ATOM 257 CB GLU A 29 -10.848 9.354 9.642 1.00 0.00 C ATOM 258 CG GLU A 29 -10.275 8.542 10.798 1.00 0.00 C ATOM 259 CD GLU A 29 -8.925 9.070 11.251 1.00 0.00 C ATOM 260 OE1 GLU A 29 -8.368 9.965 10.575 1.00 0.00 O ATOM 261 OE2 GLU A 29 -8.414 8.597 12.284 1.00 0.00 O ATOM 0 H GLU A 29 -10.190 7.214 8.483 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.732 8.439 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.024 9.765 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.404 10.199 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.972 8.563 11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.173 7.500 10.494 1.00 0.00 H new ATOM 268 N HIS A 30 -12.455 8.601 6.388 1.00 0.00 N ATOM 269 CA HIS A 30 -12.687 9.136 5.047 1.00 0.00 C ATOM 270 C HIS A 30 -13.694 8.239 4.345 1.00 0.00 C ATOM 271 O HIS A 30 -14.720 8.701 3.844 1.00 0.00 O ATOM 272 CB HIS A 30 -11.396 9.203 4.215 1.00 0.00 C ATOM 273 CG HIS A 30 -10.714 10.541 4.241 1.00 0.00 C ATOM 274 ND1 HIS A 30 -9.402 10.733 4.627 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.183 11.768 3.897 1.00 0.00 C ATOM 276 CE1 HIS A 30 -9.125 12.037 4.512 1.00 0.00 C ATOM 277 NE2 HIS A 30 -10.172 12.709 4.071 1.00 0.00 N ATOM 0 H HIS A 30 -12.724 7.622 6.488 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.062 10.155 5.143 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -10.702 8.447 4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.630 8.947 3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.182 11.980 3.544 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.170 12.482 4.749 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.229 13.712 3.894 1.00 0.00 H new ATOM 285 N PHE A 31 -13.403 6.939 4.350 1.00 0.00 N ATOM 286 CA PHE A 31 -14.273 5.938 3.736 1.00 0.00 C ATOM 287 C PHE A 31 -15.677 5.987 4.331 1.00 0.00 C ATOM 288 O PHE A 31 -16.672 5.910 3.610 1.00 0.00 O ATOM 289 CB PHE A 31 -13.692 4.533 3.933 1.00 0.00 C ATOM 290 CG PHE A 31 -12.735 4.114 2.853 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.474 4.677 2.770 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.098 3.155 1.918 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.591 4.297 1.778 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.219 2.770 0.923 1.00 0.00 C ATOM 295 CZ PHE A 31 -10.964 3.342 0.854 1.00 0.00 C ATOM 0 H PHE A 31 -12.562 6.552 4.778 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.334 6.164 2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.180 4.494 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.511 3.815 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.176 5.424 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.078 2.704 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.610 4.746 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.513 2.023 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.275 3.042 0.078 1.00 0.00 H new ATOM 305 N MET A 32 -15.747 6.158 5.647 1.00 0.00 N ATOM 306 CA MET A 32 -17.022 6.184 6.353 1.00 0.00 C ATOM 307 C MET A 32 -17.799 7.467 6.090 1.00 0.00 C ATOM 308 O MET A 32 -19.023 7.486 6.192 1.00 0.00 O ATOM 309 CB MET A 32 -16.797 6.010 7.855 1.00 0.00 C ATOM 310 CG MET A 32 -16.042 4.741 8.206 1.00 0.00 C ATOM 311 SD MET A 32 -16.931 3.245 7.740 1.00 0.00 S ATOM 312 CE MET A 32 -15.759 1.994 8.249 1.00 0.00 C ATOM 0 H MET A 32 -14.932 6.281 6.248 1.00 0.00 H new ATOM 0 HA MET A 32 -17.619 5.355 5.973 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.245 6.870 8.235 1.00 0.00 H new ATOM 0 HB3 MET A 32 -17.762 6.002 8.361 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.072 4.752 7.708 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.849 4.724 9.279 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.253 1.023 8.279 1.00 0.00 H new ATOM 0 HE2 MET A 32 -14.933 1.959 7.539 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.375 2.237 9.240 1.00 0.00 H new ATOM 322 N ALA A 33 -17.098 8.537 5.733 1.00 0.00 N ATOM 323 CA ALA A 33 -17.745 9.815 5.468 1.00 0.00 C ATOM 324 C ALA A 33 -18.349 9.833 4.069 1.00 0.00 C ATOM 325 O ALA A 33 -19.297 10.566 3.797 1.00 0.00 O ATOM 326 CB ALA A 33 -16.745 10.951 5.626 1.00 0.00 C ATOM 0 H ALA A 33 -16.084 8.545 5.621 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.550 9.951 6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.239 11.901 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.354 10.953 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.924 10.814 4.922 1.00 0.00 H new ATOM 332 N ALA A 34 -17.799 9.004 3.190 1.00 0.00 N ATOM 333 CA ALA A 34 -18.274 8.922 1.816 1.00 0.00 C ATOM 334 C ALA A 34 -19.508 8.033 1.715 1.00 0.00 C ATOM 335 O ALA A 34 -20.085 7.876 0.640 1.00 0.00 O ATOM 336 CB ALA A 34 -17.171 8.406 0.910 1.00 0.00 C ATOM 0 H ALA A 34 -17.023 8.379 3.406 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.555 9.924 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.539 8.349 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.318 9.084 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.863 7.414 1.240 1.00 0.00 H new ATOM 342 N GLY A 35 -19.901 7.445 2.837 1.00 0.00 N ATOM 343 CA GLY A 35 -21.075 6.597 2.857 1.00 0.00 C ATOM 344 C GLY A 35 -20.745 5.124 2.739 1.00 0.00 C ATOM 345 O GLY A 35 -21.634 4.276 2.813 1.00 0.00 O ATOM 0 H GLY A 35 -19.426 7.541 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.623 6.767 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.736 6.882 2.038 1.00 0.00 H new ATOM 349 N TYR A 36 -19.471 4.807 2.559 1.00 0.00 N ATOM 350 CA TYR A 36 -19.050 3.421 2.438 1.00 0.00 C ATOM 351 C TYR A 36 -18.708 2.871 3.817 1.00 0.00 C ATOM 352 O TYR A 36 -17.542 2.755 4.190 1.00 0.00 O ATOM 353 CB TYR A 36 -17.861 3.307 1.475 1.00 0.00 C ATOM 354 CG TYR A 36 -18.177 3.824 0.085 1.00 0.00 C ATOM 355 CD1 TYR A 36 -18.829 3.022 -0.840 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.845 5.119 -0.292 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.144 3.493 -2.100 1.00 0.00 C ATOM 358 CE2 TYR A 36 -18.151 5.598 -1.555 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.803 4.780 -2.454 1.00 0.00 C ATOM 360 OH TYR A 36 -19.135 5.253 -3.704 1.00 0.00 O ATOM 0 H TYR A 36 -18.715 5.488 2.494 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.864 2.826 2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -17.016 3.863 1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.553 2.264 1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.095 2.011 -0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -17.340 5.764 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -19.656 2.855 -2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.881 6.606 -1.834 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.407 5.812 -4.046 1.00 0.00 H new ATOM 370 N THR A 37 -19.754 2.549 4.569 1.00 0.00 N ATOM 371 CA THR A 37 -19.619 2.036 5.922 1.00 0.00 C ATOM 372 C THR A 37 -19.712 0.511 5.965 1.00 0.00 C ATOM 373 O THR A 37 -19.705 -0.091 7.043 1.00 0.00 O ATOM 374 CB THR A 37 -20.726 2.627 6.811 1.00 0.00 C ATOM 375 OG1 THR A 37 -21.937 2.745 6.049 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.330 3.993 7.352 1.00 0.00 C ATOM 0 H THR A 37 -20.720 2.637 4.255 1.00 0.00 H new ATOM 0 HA THR A 37 -18.635 2.329 6.288 1.00 0.00 H new ATOM 0 HB THR A 37 -20.879 1.958 7.658 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.082 1.923 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.133 4.384 7.976 1.00 0.00 H new ATOM 0 HG22 THR A 37 -19.421 3.899 7.946 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.151 4.676 6.521 1.00 0.00 H new ATOM 384 N ALA A 38 -19.784 -0.116 4.799 1.00 0.00 N ATOM 385 CA ALA A 38 -19.885 -1.564 4.723 1.00 0.00 C ATOM 386 C ALA A 38 -19.230 -2.083 3.452 1.00 0.00 C ATOM 387 O ALA A 38 -19.150 -1.372 2.449 1.00 0.00 O ATOM 388 CB ALA A 38 -21.337 -2.009 4.811 1.00 0.00 C ATOM 0 H ALA A 38 -19.774 0.356 3.895 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.352 -1.989 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.389 -3.096 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -21.763 -1.676 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -21.902 -1.574 3.986 1.00 0.00 H new ATOM 394 N ILE A 39 -18.774 -3.330 3.506 1.00 0.00 N ATOM 395 CA ILE A 39 -18.090 -3.967 2.382 1.00 0.00 C ATOM 396 C ILE A 39 -18.952 -4.015 1.118 1.00 0.00 C ATOM 397 O ILE A 39 -18.431 -3.866 0.011 1.00 0.00 O ATOM 398 CB ILE A 39 -17.630 -5.397 2.750 1.00 0.00 C ATOM 399 CG1 ILE A 39 -16.602 -5.354 3.888 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.050 -6.114 1.535 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.323 -4.619 3.539 1.00 0.00 C ATOM 0 H ILE A 39 -18.867 -3.928 4.327 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.218 -3.349 2.167 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.502 -5.956 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.057 -4.877 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.354 -6.375 4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.734 -7.117 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.809 -6.181 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.192 -5.557 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.649 -4.634 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.842 -5.107 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.556 -3.587 3.279 1.00 0.00 H new ATOM 413 N GLU A 40 -20.265 -4.191 1.271 1.00 0.00 N ATOM 414 CA GLU A 40 -21.150 -4.259 0.105 1.00 0.00 C ATOM 415 C GLU A 40 -21.120 -2.943 -0.667 1.00 0.00 C ATOM 416 O GLU A 40 -21.256 -2.926 -1.889 1.00 0.00 O ATOM 417 CB GLU A 40 -22.598 -4.641 0.477 1.00 0.00 C ATOM 418 CG GLU A 40 -22.940 -4.574 1.962 1.00 0.00 C ATOM 419 CD GLU A 40 -23.585 -3.263 2.353 1.00 0.00 C ATOM 420 OE1 GLU A 40 -22.922 -2.215 2.243 1.00 0.00 O ATOM 421 OE2 GLU A 40 -24.759 -3.276 2.779 1.00 0.00 O ATOM 0 H GLU A 40 -20.733 -4.288 2.172 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.771 -5.056 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.278 -3.983 -0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.789 -5.655 0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.612 -5.394 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.031 -4.716 2.547 1.00 0.00 H new ATOM 428 N LYS A 41 -20.936 -1.844 0.048 1.00 0.00 N ATOM 429 CA LYS A 41 -20.848 -0.536 -0.584 1.00 0.00 C ATOM 430 C LYS A 41 -19.453 -0.344 -1.158 1.00 0.00 C ATOM 431 O LYS A 41 -19.280 0.212 -2.241 1.00 0.00 O ATOM 432 CB LYS A 41 -21.147 0.572 0.426 1.00 0.00 C ATOM 433 CG LYS A 41 -22.574 0.567 0.933 1.00 0.00 C ATOM 434 CD LYS A 41 -22.662 1.139 2.334 1.00 0.00 C ATOM 435 CE LYS A 41 -24.079 1.072 2.871 1.00 0.00 C ATOM 436 NZ LYS A 41 -24.694 -0.266 2.660 1.00 0.00 N ATOM 0 H LYS A 41 -20.845 -1.831 1.064 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.586 -0.483 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.470 0.471 1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.938 1.537 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.203 1.149 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.960 -0.452 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.994 0.588 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.322 2.175 2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.074 1.305 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.688 1.832 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.462 -0.407 3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.078 -0.323 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.973 -1.004 2.790 1.00 0.00 H new ATOM 450 N VAL A 42 -18.461 -0.834 -0.421 1.00 0.00 N ATOM 451 CA VAL A 42 -17.064 -0.729 -0.823 1.00 0.00 C ATOM 452 C VAL A 42 -16.824 -1.385 -2.182 1.00 0.00 C ATOM 453 O VAL A 42 -16.110 -0.843 -3.022 1.00 0.00 O ATOM 454 CB VAL A 42 -16.128 -1.370 0.230 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.694 -1.433 -0.273 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.195 -0.602 1.541 1.00 0.00 C ATOM 0 H VAL A 42 -18.603 -1.313 0.468 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.836 0.334 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.470 -2.390 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.061 -1.888 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.654 -2.031 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.338 -0.425 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.531 -1.067 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.886 0.430 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.217 -0.618 1.920 1.00 0.00 H new ATOM 466 N VAL A 43 -17.436 -2.538 -2.410 1.00 0.00 N ATOM 467 CA VAL A 43 -17.259 -3.243 -3.675 1.00 0.00 C ATOM 468 C VAL A 43 -18.023 -2.561 -4.810 1.00 0.00 C ATOM 469 O VAL A 43 -17.755 -2.813 -5.988 1.00 0.00 O ATOM 470 CB VAL A 43 -17.685 -4.725 -3.577 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.877 -5.438 -2.507 1.00 0.00 C ATOM 472 CG2 VAL A 43 -19.174 -4.855 -3.300 1.00 0.00 C ATOM 0 H VAL A 43 -18.054 -3.003 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.193 -3.208 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.484 -5.197 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.189 -6.481 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.817 -5.389 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.044 -4.956 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -19.442 -5.910 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -19.413 -4.363 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.737 -4.386 -4.107 1.00 0.00 H new ATOM 482 N GLN A 44 -18.958 -1.685 -4.455 1.00 0.00 N ATOM 483 CA GLN A 44 -19.756 -0.968 -5.445 1.00 0.00 C ATOM 484 C GLN A 44 -19.004 0.244 -5.975 1.00 0.00 C ATOM 485 O GLN A 44 -19.254 0.701 -7.093 1.00 0.00 O ATOM 486 CB GLN A 44 -21.087 -0.526 -4.844 1.00 0.00 C ATOM 487 CG GLN A 44 -22.153 -1.604 -4.871 1.00 0.00 C ATOM 488 CD GLN A 44 -23.450 -1.153 -4.232 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.782 0.032 -4.237 1.00 0.00 O ATOM 490 NE2 GLN A 44 -24.190 -2.096 -3.680 1.00 0.00 N ATOM 0 H GLN A 44 -19.182 -1.454 -3.487 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.949 -1.649 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.924 -0.213 -3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.450 0.346 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.343 -1.897 -5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.784 -2.488 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.877 -3.066 -3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -25.075 -1.854 -3.235 1.00 0.00 H new ATOM 499 N MET A 45 -18.092 0.766 -5.161 1.00 0.00 N ATOM 500 CA MET A 45 -17.295 1.924 -5.546 1.00 0.00 C ATOM 501 C MET A 45 -16.355 1.574 -6.697 1.00 0.00 C ATOM 502 O MET A 45 -16.267 0.413 -7.124 1.00 0.00 O ATOM 503 CB MET A 45 -16.491 2.457 -4.348 1.00 0.00 C ATOM 504 CG MET A 45 -15.143 1.775 -4.144 1.00 0.00 C ATOM 505 SD MET A 45 -14.064 2.672 -3.008 1.00 0.00 S ATOM 506 CE MET A 45 -15.026 2.615 -1.499 1.00 0.00 C ATOM 0 H MET A 45 -17.887 0.404 -4.230 1.00 0.00 H new ATOM 0 HA MET A 45 -17.978 2.705 -5.880 1.00 0.00 H new ATOM 0 HB2 MET A 45 -16.327 3.526 -4.482 1.00 0.00 H new ATOM 0 HB3 MET A 45 -17.087 2.337 -3.443 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.306 0.767 -3.762 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.643 1.674 -5.108 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.539 3.220 -0.734 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.025 3.007 -1.689 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.100 1.584 -1.154 1.00 0.00 H new ATOM 516 N THR A 46 -15.630 2.568 -7.170 1.00 0.00 N ATOM 517 CA THR A 46 -14.702 2.384 -8.263 1.00 0.00 C ATOM 518 C THR A 46 -13.397 3.108 -7.942 1.00 0.00 C ATOM 519 O THR A 46 -13.280 3.735 -6.888 1.00 0.00 O ATOM 520 CB THR A 46 -15.297 2.896 -9.598 1.00 0.00 C ATOM 521 OG1 THR A 46 -14.434 2.562 -10.695 1.00 0.00 O ATOM 522 CG2 THR A 46 -15.521 4.400 -9.561 1.00 0.00 C ATOM 0 H THR A 46 -15.668 3.521 -6.808 1.00 0.00 H new ATOM 0 HA THR A 46 -14.506 1.318 -8.382 1.00 0.00 H new ATOM 0 HB THR A 46 -16.261 2.407 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.825 2.891 -11.531 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.939 4.729 -10.512 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.214 4.645 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.571 4.905 -9.388 1.00 0.00 H new ATOM 530 N ASN A 47 -12.420 3.006 -8.832 1.00 0.00 N ATOM 531 CA ASN A 47 -11.129 3.658 -8.634 1.00 0.00 C ATOM 532 C ASN A 47 -11.314 5.160 -8.449 1.00 0.00 C ATOM 533 O ASN A 47 -10.592 5.797 -7.678 1.00 0.00 O ATOM 534 CB ASN A 47 -10.187 3.379 -9.814 1.00 0.00 C ATOM 535 CG ASN A 47 -9.783 1.915 -9.911 1.00 0.00 C ATOM 536 OD1 ASN A 47 -10.584 1.017 -9.660 1.00 0.00 O ATOM 537 ND2 ASN A 47 -8.534 1.665 -10.270 1.00 0.00 N ATOM 0 H ASN A 47 -12.495 2.477 -9.701 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.677 3.247 -7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.675 3.679 -10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.292 3.992 -9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.208 0.701 -10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.897 2.436 -10.471 1.00 0.00 H new ATOM 544 N ASP A 48 -12.284 5.716 -9.173 1.00 0.00 N ATOM 545 CA ASP A 48 -12.609 7.139 -9.091 1.00 0.00 C ATOM 546 C ASP A 48 -12.934 7.546 -7.657 1.00 0.00 C ATOM 547 O ASP A 48 -12.470 8.585 -7.181 1.00 0.00 O ATOM 548 CB ASP A 48 -13.800 7.459 -9.996 1.00 0.00 C ATOM 549 CG ASP A 48 -13.464 8.475 -11.064 1.00 0.00 C ATOM 550 OD1 ASP A 48 -12.382 8.362 -11.674 1.00 0.00 O ATOM 551 OD2 ASP A 48 -14.294 9.375 -11.320 1.00 0.00 O ATOM 0 H ASP A 48 -12.865 5.195 -9.830 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.737 7.703 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.148 6.541 -10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.623 7.835 -9.388 1.00 0.00 H new ATOM 556 N ASP A 49 -13.725 6.717 -6.975 1.00 0.00 N ATOM 557 CA ASP A 49 -14.116 6.978 -5.588 1.00 0.00 C ATOM 558 C ASP A 49 -12.891 7.127 -4.705 1.00 0.00 C ATOM 559 O ASP A 49 -12.773 8.087 -3.947 1.00 0.00 O ATOM 560 CB ASP A 49 -14.979 5.840 -5.034 1.00 0.00 C ATOM 561 CG ASP A 49 -16.391 5.841 -5.572 1.00 0.00 C ATOM 562 OD1 ASP A 49 -17.243 6.562 -5.011 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.652 5.101 -6.542 1.00 0.00 O ATOM 0 H ASP A 49 -14.109 5.855 -7.362 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.691 7.904 -5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.508 4.887 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.012 5.915 -3.947 1.00 0.00 H new ATOM 568 N ILE A 50 -11.970 6.192 -4.823 1.00 0.00 N ATOM 569 CA ILE A 50 -10.731 6.176 -4.051 1.00 0.00 C ATOM 570 C ILE A 50 -9.989 7.482 -4.192 1.00 0.00 C ATOM 571 O ILE A 50 -9.433 8.011 -3.227 1.00 0.00 O ATOM 572 CB ILE A 50 -9.825 4.938 -4.441 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.448 3.544 -4.112 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.406 5.000 -3.794 1.00 0.00 C ATOM 575 CD1 ILE A 50 -10.742 3.273 -2.622 1.00 0.00 C ATOM 0 H ILE A 50 -12.057 5.406 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.992 6.062 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.748 5.026 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.379 3.442 -4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.772 2.770 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.830 4.126 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.895 5.904 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.501 5.014 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.172 2.278 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.815 3.334 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.447 4.016 -2.249 1.00 0.00 H new ATOM 587 N LYS A 51 -9.923 7.988 -5.416 1.00 0.00 N ATOM 588 CA LYS A 51 -9.194 9.222 -5.701 1.00 0.00 C ATOM 589 C LYS A 51 -9.980 10.462 -5.281 1.00 0.00 C ATOM 590 O LYS A 51 -9.446 11.571 -5.275 1.00 0.00 O ATOM 591 CB LYS A 51 -8.885 9.318 -7.194 1.00 0.00 C ATOM 592 CG LYS A 51 -8.042 8.170 -7.728 1.00 0.00 C ATOM 593 CD LYS A 51 -7.786 8.316 -9.222 1.00 0.00 C ATOM 594 CE LYS A 51 -6.766 9.408 -9.517 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.376 8.882 -9.524 1.00 0.00 N ATOM 0 H LYS A 51 -10.366 7.564 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.270 9.187 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.824 9.353 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.366 10.257 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.091 8.137 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.548 7.224 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.430 7.368 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.722 8.546 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.988 9.860 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.852 10.196 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.720 9.630 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.307 8.076 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.127 8.571 -10.485 1.00 0.00 H new ATOM 609 N ARG A 52 -11.241 10.279 -4.934 1.00 0.00 N ATOM 610 CA ARG A 52 -12.093 11.396 -4.547 1.00 0.00 C ATOM 611 C ARG A 52 -12.294 11.467 -3.036 1.00 0.00 C ATOM 612 O ARG A 52 -12.368 12.551 -2.462 1.00 0.00 O ATOM 613 CB ARG A 52 -13.437 11.280 -5.274 1.00 0.00 C ATOM 614 CG ARG A 52 -14.523 12.202 -4.743 1.00 0.00 C ATOM 615 CD ARG A 52 -15.684 12.298 -5.720 1.00 0.00 C ATOM 616 NE ARG A 52 -16.850 12.950 -5.127 1.00 0.00 N ATOM 617 CZ ARG A 52 -16.942 14.259 -4.909 1.00 0.00 C ATOM 618 NH1 ARG A 52 -15.953 15.070 -5.267 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.036 14.762 -4.351 1.00 0.00 N ATOM 0 H ARG A 52 -11.701 9.369 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.599 12.323 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.283 11.493 -6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.786 10.250 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.881 11.832 -3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.108 13.195 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.369 12.854 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.960 11.298 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.643 12.365 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.117 14.690 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.029 16.073 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.805 14.145 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.108 15.766 -4.183 1.00 0.00 H new ATOM 633 N ILE A 53 -12.356 10.311 -2.396 1.00 0.00 N ATOM 634 CA ILE A 53 -12.557 10.233 -0.950 1.00 0.00 C ATOM 635 C ILE A 53 -11.285 10.574 -0.169 1.00 0.00 C ATOM 636 O ILE A 53 -11.188 10.292 1.024 1.00 0.00 O ATOM 637 CB ILE A 53 -13.059 8.834 -0.534 1.00 0.00 C ATOM 638 CG1 ILE A 53 -12.021 7.763 -0.875 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.385 8.526 -1.215 1.00 0.00 C ATOM 640 CD1 ILE A 53 -12.449 6.361 -0.502 1.00 0.00 C ATOM 0 H ILE A 53 -12.270 9.404 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.315 10.976 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.211 8.829 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.814 7.798 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.088 7.997 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.728 7.536 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.125 9.271 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.253 8.550 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.663 5.656 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.628 6.309 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.365 6.106 -1.035 1.00 0.00 H new ATOM 652 N GLY A 54 -10.318 11.179 -0.844 1.00 0.00 N ATOM 653 CA GLY A 54 -9.079 11.560 -0.199 1.00 0.00 C ATOM 654 C GLY A 54 -7.870 11.079 -0.969 1.00 0.00 C ATOM 655 O GLY A 54 -7.413 11.771 -1.878 1.00 0.00 O ATOM 0 H GLY A 54 -10.371 11.414 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.039 12.645 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.054 11.149 0.810 1.00 0.00 H new ATOM 659 N VAL A 55 -7.369 9.901 -0.567 1.00 0.00 N ATOM 660 CA VAL A 55 -6.205 9.211 -1.168 1.00 0.00 C ATOM 661 C VAL A 55 -5.722 9.815 -2.489 1.00 0.00 C ATOM 662 O VAL A 55 -6.142 9.388 -3.562 1.00 0.00 O ATOM 663 CB VAL A 55 -6.531 7.723 -1.424 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.269 6.879 -1.395 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.548 7.202 -0.419 1.00 0.00 C ATOM 0 H VAL A 55 -7.773 9.380 0.212 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.405 9.332 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.971 7.646 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.525 5.835 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.582 7.225 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.793 6.970 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.758 6.152 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.147 7.301 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.469 7.779 -0.501 1.00 0.00 H new ATOM 675 N ARG A 56 -4.841 10.806 -2.411 1.00 0.00 N ATOM 676 CA ARG A 56 -4.318 11.442 -3.615 1.00 0.00 C ATOM 677 C ARG A 56 -3.004 10.807 -4.059 1.00 0.00 C ATOM 678 O ARG A 56 -2.569 11.000 -5.195 1.00 0.00 O ATOM 679 CB ARG A 56 -4.127 12.945 -3.387 1.00 0.00 C ATOM 680 CG ARG A 56 -3.074 13.290 -2.342 1.00 0.00 C ATOM 681 CD ARG A 56 -1.813 13.849 -2.984 1.00 0.00 C ATOM 682 NE ARG A 56 -0.860 14.345 -1.989 1.00 0.00 N ATOM 683 CZ ARG A 56 0.433 14.567 -2.236 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.947 14.289 -3.430 1.00 0.00 N ATOM 685 NH2 ARG A 56 1.214 15.056 -1.281 1.00 0.00 N ATOM 0 H ARG A 56 -4.477 11.184 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.048 11.292 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.851 13.412 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.080 13.379 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.481 14.019 -1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.826 12.398 -1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.338 13.073 -3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.081 14.658 -3.663 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.206 14.533 -1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.353 13.904 -4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.936 14.461 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.826 15.261 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.202 15.226 -1.468 1.00 0.00 H new ATOM 699 N LEU A 57 -2.377 10.042 -3.174 1.00 0.00 N ATOM 700 CA LEU A 57 -1.112 9.395 -3.501 1.00 0.00 C ATOM 701 C LEU A 57 -1.353 8.198 -4.423 1.00 0.00 C ATOM 702 O LEU A 57 -2.194 7.346 -4.134 1.00 0.00 O ATOM 703 CB LEU A 57 -0.371 8.984 -2.224 1.00 0.00 C ATOM 704 CG LEU A 57 0.285 10.144 -1.459 1.00 0.00 C ATOM 705 CD1 LEU A 57 1.021 9.643 -0.222 1.00 0.00 C ATOM 706 CD2 LEU A 57 1.236 10.913 -2.364 1.00 0.00 C ATOM 0 H LEU A 57 -2.720 9.855 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.478 10.105 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.073 8.480 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.399 8.258 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.508 10.817 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.475 10.487 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.317 9.143 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.799 8.940 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.690 11.730 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.016 10.243 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.684 11.318 -3.212 1.00 0.00 H new ATOM 718 N PRO A 58 -0.609 8.129 -5.542 1.00 0.00 N ATOM 719 CA PRO A 58 -0.754 7.067 -6.552 1.00 0.00 C ATOM 720 C PRO A 58 -0.583 5.660 -5.994 1.00 0.00 C ATOM 721 O PRO A 58 -1.396 4.782 -6.265 1.00 0.00 O ATOM 722 CB PRO A 58 0.352 7.383 -7.572 1.00 0.00 C ATOM 723 CG PRO A 58 1.302 8.273 -6.849 1.00 0.00 C ATOM 724 CD PRO A 58 0.459 9.075 -5.904 1.00 0.00 C ATOM 0 HA PRO A 58 -1.760 7.064 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.846 6.473 -7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.055 7.875 -8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.051 7.693 -6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.838 8.921 -7.543 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.026 9.399 -5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.062 9.973 -6.378 1.00 0.00 H new ATOM 732 N GLY A 59 0.464 5.447 -5.216 1.00 0.00 N ATOM 733 CA GLY A 59 0.699 4.126 -4.657 1.00 0.00 C ATOM 734 C GLY A 59 -0.320 3.743 -3.605 1.00 0.00 C ATOM 735 O GLY A 59 -0.705 2.569 -3.488 1.00 0.00 O ATOM 0 H GLY A 59 1.152 6.155 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.680 3.389 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.696 4.095 -4.218 1.00 0.00 H new ATOM 739 N HIS A 60 -0.762 4.734 -2.840 1.00 0.00 N ATOM 740 CA HIS A 60 -1.753 4.506 -1.790 1.00 0.00 C ATOM 741 C HIS A 60 -3.067 4.069 -2.431 1.00 0.00 C ATOM 742 O HIS A 60 -3.854 3.315 -1.851 1.00 0.00 O ATOM 743 CB HIS A 60 -1.979 5.776 -0.961 1.00 0.00 C ATOM 744 CG HIS A 60 -1.161 5.882 0.292 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.483 5.268 1.485 1.00 0.00 N ATOM 746 CD2 HIS A 60 -0.033 6.594 0.535 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.564 5.628 2.396 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.338 6.430 1.865 1.00 0.00 N ATOM 0 H HIS A 60 -0.452 5.702 -2.925 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.384 3.727 -1.123 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.765 6.641 -1.588 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.034 5.830 -0.692 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.278 4.650 1.647 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.495 7.195 -0.191 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.564 5.304 3.426 1.00 0.00 H new ATOM 756 N GLN A 61 -3.278 4.552 -3.649 1.00 0.00 N ATOM 757 CA GLN A 61 -4.468 4.221 -4.420 1.00 0.00 C ATOM 758 C GLN A 61 -4.361 2.783 -4.901 1.00 0.00 C ATOM 759 O GLN A 61 -5.184 1.949 -4.553 1.00 0.00 O ATOM 760 CB GLN A 61 -4.618 5.155 -5.625 1.00 0.00 C ATOM 761 CG GLN A 61 -5.268 6.491 -5.311 1.00 0.00 C ATOM 762 CD GLN A 61 -4.920 7.545 -6.344 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.585 7.226 -7.484 1.00 0.00 O ATOM 764 NE2 GLN A 61 -5.028 8.804 -5.966 1.00 0.00 N ATOM 0 H GLN A 61 -2.633 5.181 -4.127 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.345 4.342 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.632 5.337 -6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.208 4.649 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.350 6.367 -5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.947 6.828 -4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.309 9.028 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.831 9.554 -6.628 1.00 0.00 H new ATOM 773 N LYS A 62 -3.362 2.542 -5.760 1.00 0.00 N ATOM 774 CA LYS A 62 -3.067 1.211 -6.310 1.00 0.00 C ATOM 775 C LYS A 62 -3.308 0.087 -5.307 1.00 0.00 C ATOM 776 O LYS A 62 -3.944 -0.910 -5.637 1.00 0.00 O ATOM 777 CB LYS A 62 -1.617 1.146 -6.794 1.00 0.00 C ATOM 778 CG LYS A 62 -1.243 -0.202 -7.394 1.00 0.00 C ATOM 779 CD LYS A 62 0.239 -0.501 -7.234 1.00 0.00 C ATOM 780 CE LYS A 62 0.579 -1.898 -7.729 1.00 0.00 C ATOM 781 NZ LYS A 62 2.042 -2.143 -7.729 1.00 0.00 N ATOM 0 H LYS A 62 -2.731 3.270 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.754 1.064 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.454 1.925 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.952 1.361 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.826 -0.988 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.504 -0.213 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.822 0.235 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.520 -0.407 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.087 -2.637 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.188 -2.031 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.226 -3.144 -7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.494 -1.547 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.433 -1.910 -6.794 1.00 0.00 H new ATOM 795 N ARG A 63 -2.788 0.241 -4.095 1.00 0.00 N ATOM 796 CA ARG A 63 -2.956 -0.773 -3.059 1.00 0.00 C ATOM 797 C ARG A 63 -4.439 -1.033 -2.779 1.00 0.00 C ATOM 798 O ARG A 63 -4.884 -2.181 -2.756 1.00 0.00 O ATOM 799 CB ARG A 63 -2.246 -0.337 -1.781 1.00 0.00 C ATOM 800 CG ARG A 63 -1.863 -1.497 -0.881 1.00 0.00 C ATOM 801 CD ARG A 63 -0.378 -1.475 -0.550 1.00 0.00 C ATOM 802 NE ARG A 63 0.465 -1.573 -1.749 1.00 0.00 N ATOM 803 CZ ARG A 63 1.380 -0.661 -2.097 1.00 0.00 C ATOM 804 NH1 ARG A 63 1.611 0.381 -1.308 1.00 0.00 N ATOM 805 NH2 ARG A 63 2.093 -0.813 -3.210 1.00 0.00 N ATOM 0 H ARG A 63 -2.248 1.056 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.511 -1.702 -3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.348 0.221 -2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.893 0.344 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.444 -1.452 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.114 -2.438 -1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.141 -0.554 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.146 -2.301 0.122 1.00 0.00 H new ATOM 0 HE ARG A 63 0.345 -2.386 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.091 0.486 -0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.308 1.077 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.944 -1.629 -3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.789 -0.114 -3.469 1.00 0.00 H new ATOM 819 N ILE A 64 -5.193 0.041 -2.581 1.00 0.00 N ATOM 820 CA ILE A 64 -6.627 -0.055 -2.323 1.00 0.00 C ATOM 821 C ILE A 64 -7.350 -0.602 -3.554 1.00 0.00 C ATOM 822 O ILE A 64 -8.160 -1.525 -3.454 1.00 0.00 O ATOM 823 CB ILE A 64 -7.229 1.319 -1.945 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.567 1.863 -0.676 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.735 1.215 -1.755 1.00 0.00 C ATOM 826 CD1 ILE A 64 -6.961 3.287 -0.348 1.00 0.00 C ATOM 0 H ILE A 64 -4.834 0.995 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.764 -0.735 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.035 2.013 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.829 1.220 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.484 1.812 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.137 2.193 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.196 0.873 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.953 0.505 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.454 3.604 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.674 3.942 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.040 3.341 -0.200 1.00 0.00 H new ATOM 838 N ALA A 65 -7.027 -0.036 -4.713 1.00 0.00 N ATOM 839 CA ALA A 65 -7.630 -0.447 -5.978 1.00 0.00 C ATOM 840 C ALA A 65 -7.415 -1.938 -6.230 1.00 0.00 C ATOM 841 O ALA A 65 -8.350 -2.660 -6.589 1.00 0.00 O ATOM 842 CB ALA A 65 -7.062 0.383 -7.122 1.00 0.00 C ATOM 0 H ALA A 65 -6.344 0.716 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.705 -0.273 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.518 0.069 -8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.278 1.437 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.983 0.238 -7.176 1.00 0.00 H new ATOM 848 N TYR A 66 -6.181 -2.385 -6.030 1.00 0.00 N ATOM 849 CA TYR A 66 -5.815 -3.790 -6.203 1.00 0.00 C ATOM 850 C TYR A 66 -6.712 -4.683 -5.351 1.00 0.00 C ATOM 851 O TYR A 66 -7.289 -5.655 -5.842 1.00 0.00 O ATOM 852 CB TYR A 66 -4.353 -3.988 -5.798 1.00 0.00 C ATOM 853 CG TYR A 66 -3.696 -5.217 -6.385 1.00 0.00 C ATOM 854 CD1 TYR A 66 -3.136 -5.186 -7.655 1.00 0.00 C ATOM 855 CD2 TYR A 66 -3.616 -6.404 -5.663 1.00 0.00 C ATOM 856 CE1 TYR A 66 -2.516 -6.299 -8.189 1.00 0.00 C ATOM 857 CE2 TYR A 66 -3.001 -7.522 -6.193 1.00 0.00 C ATOM 858 CZ TYR A 66 -2.451 -7.464 -7.455 1.00 0.00 C ATOM 859 OH TYR A 66 -1.829 -8.574 -7.984 1.00 0.00 O ATOM 0 H TYR A 66 -5.406 -1.787 -5.744 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.946 -4.064 -7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.784 -3.109 -6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.296 -4.046 -4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.186 -4.276 -8.235 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.042 -6.452 -4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.084 -6.257 -9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.952 -8.437 -5.621 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.869 -9.310 -7.339 1.00 0.00 H new ATOM 869 N SER A 67 -6.832 -4.329 -4.077 1.00 0.00 N ATOM 870 CA SER A 67 -7.647 -5.084 -3.139 1.00 0.00 C ATOM 871 C SER A 67 -9.121 -5.076 -3.552 1.00 0.00 C ATOM 872 O SER A 67 -9.840 -6.058 -3.336 1.00 0.00 O ATOM 873 CB SER A 67 -7.482 -4.510 -1.734 1.00 0.00 C ATOM 874 OG SER A 67 -6.110 -4.281 -1.434 1.00 0.00 O ATOM 0 H SER A 67 -6.370 -3.516 -3.669 1.00 0.00 H new ATOM 0 HA SER A 67 -7.308 -6.120 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.037 -3.575 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.908 -5.198 -1.004 1.00 0.00 H new ATOM 0 HG SER A 67 -5.826 -3.431 -1.830 1.00 0.00 H new ATOM 880 N LEU A 68 -9.570 -3.973 -4.149 1.00 0.00 N ATOM 881 CA LEU A 68 -10.953 -3.851 -4.601 1.00 0.00 C ATOM 882 C LEU A 68 -11.269 -4.883 -5.681 1.00 0.00 C ATOM 883 O LEU A 68 -12.367 -5.441 -5.711 1.00 0.00 O ATOM 884 CB LEU A 68 -11.218 -2.442 -5.140 1.00 0.00 C ATOM 885 CG LEU A 68 -11.450 -1.353 -4.088 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.518 0.011 -4.756 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.726 -1.618 -3.306 1.00 0.00 C ATOM 0 H LEU A 68 -8.995 -3.151 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.601 -4.034 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.371 -2.146 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.091 -2.482 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.613 -1.367 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.683 0.779 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.580 0.209 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.339 0.025 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.869 -0.831 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.575 -1.632 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.650 -2.581 -2.802 1.00 0.00 H new ATOM 899 N LEU A 69 -10.308 -5.127 -6.575 1.00 0.00 N ATOM 900 CA LEU A 69 -10.487 -6.105 -7.646 1.00 0.00 C ATOM 901 C LEU A 69 -10.756 -7.477 -7.049 1.00 0.00 C ATOM 902 O LEU A 69 -11.614 -8.218 -7.532 1.00 0.00 O ATOM 903 CB LEU A 69 -9.252 -6.158 -8.550 1.00 0.00 C ATOM 904 CG LEU A 69 -8.878 -4.830 -9.220 1.00 0.00 C ATOM 905 CD1 LEU A 69 -7.573 -4.965 -9.993 1.00 0.00 C ATOM 906 CD2 LEU A 69 -9.994 -4.366 -10.143 1.00 0.00 C ATOM 0 H LEU A 69 -9.401 -4.661 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.340 -5.801 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.403 -6.501 -7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.421 -6.904 -9.327 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.739 -4.082 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.327 -4.012 -10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.773 -5.252 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.684 -5.729 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.711 -3.422 -10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.163 -5.116 -10.915 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.908 -4.226 -9.567 1.00 0.00 H new ATOM 918 N GLY A 70 -10.025 -7.797 -5.987 1.00 0.00 N ATOM 919 CA GLY A 70 -10.200 -9.068 -5.314 1.00 0.00 C ATOM 920 C GLY A 70 -11.576 -9.192 -4.694 1.00 0.00 C ATOM 921 O GLY A 70 -12.237 -10.216 -4.847 1.00 0.00 O ATOM 0 H GLY A 70 -9.311 -7.194 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.047 -9.880 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.441 -9.176 -4.539 1.00 0.00 H new ATOM 925 N LEU A 71 -12.009 -8.142 -3.999 1.00 0.00 N ATOM 926 CA LEU A 71 -13.323 -8.137 -3.358 1.00 0.00 C ATOM 927 C LEU A 71 -14.429 -8.372 -4.379 1.00 0.00 C ATOM 928 O LEU A 71 -15.340 -9.169 -4.149 1.00 0.00 O ATOM 929 CB LEU A 71 -13.578 -6.815 -2.629 1.00 0.00 C ATOM 930 CG LEU A 71 -12.712 -6.565 -1.395 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.161 -5.297 -0.688 1.00 0.00 C ATOM 932 CD2 LEU A 71 -12.773 -7.752 -0.444 1.00 0.00 C ATOM 0 H LEU A 71 -11.471 -7.286 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.330 -8.949 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.422 -5.997 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.625 -6.782 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.679 -6.440 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.537 -5.129 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.068 -4.449 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.201 -5.402 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.149 -7.553 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.803 -7.910 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.410 -8.645 -0.953 1.00 0.00 H new ATOM 944 N LYS A 72 -14.337 -7.678 -5.508 1.00 0.00 N ATOM 945 CA LYS A 72 -15.326 -7.808 -6.570 1.00 0.00 C ATOM 946 C LYS A 72 -15.351 -9.240 -7.107 1.00 0.00 C ATOM 947 O LYS A 72 -16.419 -9.807 -7.339 1.00 0.00 O ATOM 948 CB LYS A 72 -15.033 -6.811 -7.696 1.00 0.00 C ATOM 949 CG LYS A 72 -15.231 -5.353 -7.290 1.00 0.00 C ATOM 950 CD LYS A 72 -14.592 -4.400 -8.293 1.00 0.00 C ATOM 951 CE LYS A 72 -14.641 -2.953 -7.816 1.00 0.00 C ATOM 952 NZ LYS A 72 -15.982 -2.335 -8.013 1.00 0.00 N ATOM 0 H LYS A 72 -13.586 -7.019 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.310 -7.582 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.006 -6.949 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.680 -7.034 -8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.297 -5.138 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.798 -5.187 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.555 -4.692 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.106 -4.484 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.377 -2.913 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.893 -2.371 -8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.942 -1.329 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.262 -2.424 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.679 -2.820 -7.413 1.00 0.00 H new ATOM 966 N ASP A 73 -14.171 -9.816 -7.304 1.00 0.00 N ATOM 967 CA ASP A 73 -14.056 -11.188 -7.799 1.00 0.00 C ATOM 968 C ASP A 73 -14.625 -12.191 -6.792 1.00 0.00 C ATOM 969 O ASP A 73 -15.335 -13.127 -7.167 1.00 0.00 O ATOM 970 CB ASP A 73 -12.591 -11.520 -8.095 1.00 0.00 C ATOM 971 CG ASP A 73 -12.427 -12.827 -8.847 1.00 0.00 C ATOM 972 OD1 ASP A 73 -12.379 -13.893 -8.203 1.00 0.00 O ATOM 973 OD2 ASP A 73 -12.333 -12.786 -10.092 1.00 0.00 O ATOM 0 H ASP A 73 -13.278 -9.356 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.636 -11.263 -8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.151 -10.712 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.038 -11.573 -7.157 1.00 0.00 H new ATOM 978 N GLN A 74 -14.324 -11.980 -5.514 1.00 0.00 N ATOM 979 CA GLN A 74 -14.794 -12.867 -4.449 1.00 0.00 C ATOM 980 C GLN A 74 -16.318 -12.957 -4.412 1.00 0.00 C ATOM 981 O GLN A 74 -16.874 -14.043 -4.270 1.00 0.00 O ATOM 982 CB GLN A 74 -14.279 -12.396 -3.085 1.00 0.00 C ATOM 983 CG GLN A 74 -12.778 -12.563 -2.894 1.00 0.00 C ATOM 984 CD GLN A 74 -12.333 -14.014 -2.841 1.00 0.00 C ATOM 985 OE1 GLN A 74 -12.923 -14.894 -3.470 1.00 0.00 O ATOM 986 NE2 GLN A 74 -11.284 -14.276 -2.079 1.00 0.00 N ATOM 0 H GLN A 74 -13.754 -11.199 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.398 -13.859 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.536 -11.345 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.798 -12.950 -2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.258 -12.061 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.479 -12.065 -1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.820 -13.522 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.939 -15.232 -1.998 1.00 0.00 H new ATOM 995 N VAL A 75 -16.994 -11.820 -4.561 1.00 0.00 N ATOM 996 CA VAL A 75 -18.454 -11.795 -4.526 1.00 0.00 C ATOM 997 C VAL A 75 -19.054 -12.373 -5.812 1.00 0.00 C ATOM 998 O VAL A 75 -20.260 -12.613 -5.899 1.00 0.00 O ATOM 999 CB VAL A 75 -18.993 -10.362 -4.280 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -18.975 -9.524 -5.552 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -20.392 -10.408 -3.686 1.00 0.00 C ATOM 0 H VAL A 75 -16.558 -10.910 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.763 -12.423 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.327 -9.882 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -19.360 -8.527 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.953 -9.446 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.599 -9.998 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.751 -9.392 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -21.063 -10.923 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.367 -10.942 -2.736 1.00 0.00 H new ATOM 1011 N ASN A 76 -18.203 -12.600 -6.804 1.00 0.00 N ATOM 1012 CA ASN A 76 -18.638 -13.157 -8.081 1.00 0.00 C ATOM 1013 C ASN A 76 -18.466 -14.669 -8.090 1.00 0.00 C ATOM 1014 O ASN A 76 -19.025 -15.368 -8.935 1.00 0.00 O ATOM 1015 CB ASN A 76 -17.842 -12.539 -9.229 1.00 0.00 C ATOM 1016 CG ASN A 76 -18.560 -11.367 -9.862 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -19.287 -11.525 -10.842 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -18.358 -10.182 -9.309 1.00 0.00 N ATOM 0 H ASN A 76 -17.203 -12.406 -6.750 1.00 0.00 H new ATOM 0 HA ASN A 76 -19.694 -12.922 -8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.871 -12.210 -8.859 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -17.653 -13.299 -9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -18.813 -9.355 -9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.747 -10.096 -8.497 1.00 0.00 H new ATOM 1025 N THR A 77 -17.688 -15.165 -7.145 1.00 0.00 N ATOM 1026 CA THR A 77 -17.433 -16.589 -7.032 1.00 0.00 C ATOM 1027 C THR A 77 -18.646 -17.306 -6.443 1.00 0.00 C ATOM 1028 O THR A 77 -19.222 -16.853 -5.451 1.00 0.00 O ATOM 1029 CB THR A 77 -16.189 -16.850 -6.160 1.00 0.00 C ATOM 1030 OG1 THR A 77 -15.065 -16.139 -6.700 1.00 0.00 O ATOM 1031 CG2 THR A 77 -15.867 -18.336 -6.090 1.00 0.00 C ATOM 0 H THR A 77 -17.219 -14.597 -6.440 1.00 0.00 H new ATOM 0 HA THR A 77 -17.246 -16.981 -8.032 1.00 0.00 H new ATOM 0 HB THR A 77 -16.400 -16.499 -5.150 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.239 -15.175 -6.663 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.985 -18.488 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.712 -18.872 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.673 -18.714 -7.094 1.00 0.00 H new ATOM 1064 N MET B 29 10.777 4.824 8.517 1.00 0.00 N ATOM 1065 CA MET B 29 11.722 3.737 8.327 1.00 0.00 C ATOM 1066 C MET B 29 13.110 4.260 7.989 1.00 0.00 C ATOM 1067 O MET B 29 13.916 3.550 7.393 1.00 0.00 O ATOM 1068 CB MET B 29 11.239 2.785 7.229 1.00 0.00 C ATOM 1069 CG MET B 29 10.939 3.466 5.907 1.00 0.00 C ATOM 1070 SD MET B 29 10.592 2.288 4.590 1.00 0.00 S ATOM 1071 CE MET B 29 9.564 3.287 3.522 1.00 0.00 C ATOM 0 HA MET B 29 11.784 3.190 9.268 1.00 0.00 H new ATOM 0 HB2 MET B 29 11.998 2.019 7.067 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.340 2.275 7.575 1.00 0.00 H new ATOM 0 HG2 MET B 29 10.084 4.131 6.030 1.00 0.00 H new ATOM 0 HG3 MET B 29 11.788 4.087 5.621 1.00 0.00 H new ATOM 0 HE1 MET B 29 9.023 2.642 2.830 1.00 0.00 H new ATOM 0 HE2 MET B 29 8.852 3.851 4.125 1.00 0.00 H new ATOM 0 HE3 MET B 29 10.190 3.979 2.958 1.00 0.00 H new ATOM 1081 N SER B 30 13.397 5.499 8.378 1.00 0.00 N ATOM 1082 CA SER B 30 14.704 6.090 8.121 1.00 0.00 C ATOM 1083 C SER B 30 15.782 5.282 8.838 1.00 0.00 C ATOM 1084 O SER B 30 16.729 4.795 8.219 1.00 0.00 O ATOM 1085 CB SER B 30 14.723 7.543 8.596 1.00 0.00 C ATOM 1086 OG SER B 30 13.450 8.143 8.428 1.00 0.00 O ATOM 0 H SER B 30 12.745 6.110 8.870 1.00 0.00 H new ATOM 0 HA SER B 30 14.903 6.073 7.050 1.00 0.00 H new ATOM 0 HB2 SER B 30 15.014 7.584 9.646 1.00 0.00 H new ATOM 0 HB3 SER B 30 15.471 8.104 8.036 1.00 0.00 H new ATOM 0 HG SER B 30 13.177 8.073 7.489 1.00 0.00 H new ATOM 1092 N ALA B 31 15.617 5.154 10.153 1.00 0.00 N ATOM 1093 CA ALA B 31 16.535 4.379 10.987 1.00 0.00 C ATOM 1094 C ALA B 31 16.648 2.938 10.489 1.00 0.00 C ATOM 1095 O ALA B 31 17.665 2.274 10.690 1.00 0.00 O ATOM 1096 CB ALA B 31 16.064 4.396 12.433 1.00 0.00 C ATOM 0 H ALA B 31 14.848 5.582 10.669 1.00 0.00 H new ATOM 0 HA ALA B 31 17.522 4.838 10.924 1.00 0.00 H new ATOM 0 HB1 ALA B 31 16.753 3.816 13.047 1.00 0.00 H new ATOM 0 HB2 ALA B 31 16.033 5.424 12.794 1.00 0.00 H new ATOM 0 HB3 ALA B 31 15.067 3.960 12.496 1.00 0.00 H new ATOM 1102 N TRP B 32 15.592 2.470 9.839 1.00 0.00 N ATOM 1103 CA TRP B 32 15.547 1.122 9.296 1.00 0.00 C ATOM 1104 C TRP B 32 16.390 1.036 8.024 1.00 0.00 C ATOM 1105 O TRP B 32 17.321 0.239 7.932 1.00 0.00 O ATOM 1106 CB TRP B 32 14.096 0.744 8.993 1.00 0.00 C ATOM 1107 CG TRP B 32 13.869 -0.725 8.820 1.00 0.00 C ATOM 1108 CD1 TRP B 32 13.459 -1.607 9.777 1.00 0.00 C ATOM 1109 CD2 TRP B 32 14.030 -1.483 7.615 1.00 0.00 C ATOM 1110 NE1 TRP B 32 13.352 -2.865 9.240 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.699 -2.815 7.917 1.00 0.00 C ATOM 1112 CE3 TRP B 32 14.420 -1.166 6.311 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.747 -3.827 6.966 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 14.468 -2.172 5.366 1.00 0.00 C ATOM 1115 CH2 TRP B 32 14.133 -3.488 5.698 1.00 0.00 C ATOM 0 H TRP B 32 14.745 3.013 9.674 1.00 0.00 H new ATOM 0 HA TRP B 32 15.955 0.426 10.029 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.461 1.106 9.802 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.780 1.259 8.086 1.00 0.00 H new ATOM 0 HD1 TRP B 32 13.250 -1.352 10.805 1.00 0.00 H new ATOM 0 HE1 TRP B 32 13.061 -3.702 9.745 1.00 0.00 H new ATOM 0 HE3 TRP B 32 14.679 -0.151 6.047 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.489 -4.845 7.219 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 14.769 -1.939 4.355 1.00 0.00 H new ATOM 0 HH2 TRP B 32 14.180 -4.253 4.937 1.00 0.00 H new ATOM 1126 N LEU B 33 16.052 1.876 7.052 1.00 0.00 N ATOM 1127 CA LEU B 33 16.762 1.914 5.776 1.00 0.00 C ATOM 1128 C LEU B 33 18.240 2.238 5.974 1.00 0.00 C ATOM 1129 O LEU B 33 19.084 1.799 5.190 1.00 0.00 O ATOM 1130 CB LEU B 33 16.108 2.925 4.838 1.00 0.00 C ATOM 1131 CG LEU B 33 14.738 2.505 4.300 1.00 0.00 C ATOM 1132 CD1 LEU B 33 14.081 3.658 3.565 1.00 0.00 C ATOM 1133 CD2 LEU B 33 14.868 1.295 3.387 1.00 0.00 C ATOM 0 H LEU B 33 15.285 2.545 7.123 1.00 0.00 H new ATOM 0 HA LEU B 33 16.699 0.925 5.323 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.001 3.873 5.365 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.776 3.103 3.995 1.00 0.00 H new ATOM 0 HG LEU B 33 14.107 2.229 5.145 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.108 3.342 3.189 1.00 0.00 H new ATOM 0 HD12 LEU B 33 13.951 4.498 4.248 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.711 3.963 2.730 1.00 0.00 H new ATOM 0 HD21 LEU B 33 13.883 1.012 3.015 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.516 1.542 2.546 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.298 0.463 3.945 1.00 0.00 H new ATOM 1145 N ARG B 34 18.540 3.032 7.005 1.00 0.00 N ATOM 1146 CA ARG B 34 19.921 3.400 7.355 1.00 0.00 C ATOM 1147 C ARG B 34 20.829 2.175 7.543 1.00 0.00 C ATOM 1148 O ARG B 34 22.050 2.307 7.631 1.00 0.00 O ATOM 1149 CB ARG B 34 19.923 4.228 8.642 1.00 0.00 C ATOM 1150 CG ARG B 34 21.200 5.023 8.857 1.00 0.00 C ATOM 1151 CD ARG B 34 21.100 6.402 8.230 1.00 0.00 C ATOM 1152 NE ARG B 34 20.180 7.265 8.965 1.00 0.00 N ATOM 1153 CZ ARG B 34 19.718 8.428 8.514 1.00 0.00 C ATOM 1154 NH1 ARG B 34 20.051 8.865 7.304 1.00 0.00 N ATOM 1155 NH2 ARG B 34 18.908 9.151 9.275 1.00 0.00 N ATOM 0 H ARG B 34 17.837 3.439 7.622 1.00 0.00 H new ATOM 0 HA ARG B 34 20.318 3.981 6.523 1.00 0.00 H new ATOM 0 HB2 ARG B 34 19.077 4.915 8.622 1.00 0.00 H new ATOM 0 HB3 ARG B 34 19.773 3.562 9.492 1.00 0.00 H new ATOM 0 HG2 ARG B 34 21.396 5.119 9.925 1.00 0.00 H new ATOM 0 HG3 ARG B 34 22.044 4.485 8.425 1.00 0.00 H new ATOM 0 HD2 ARG B 34 22.088 6.862 8.204 1.00 0.00 H new ATOM 0 HD3 ARG B 34 20.764 6.308 7.197 1.00 0.00 H new ATOM 0 HE ARG B 34 19.871 6.955 9.886 1.00 0.00 H new ATOM 0 HH11 ARG B 34 20.666 8.307 6.712 1.00 0.00 H new ATOM 0 HH12 ARG B 34 19.691 9.758 6.968 1.00 0.00 H new ATOM 0 HH21 ARG B 34 18.643 8.815 10.201 1.00 0.00 H new ATOM 0 HH22 ARG B 34 18.550 10.044 8.935 1.00 0.00 H new ATOM 1169 N ALA B 35 20.235 0.990 7.578 1.00 0.00 N ATOM 1170 CA ALA B 35 20.995 -0.236 7.751 1.00 0.00 C ATOM 1171 C ALA B 35 21.796 -0.532 6.485 1.00 0.00 C ATOM 1172 O ALA B 35 22.865 -1.138 6.538 1.00 0.00 O ATOM 1173 CB ALA B 35 20.071 -1.398 8.081 1.00 0.00 C ATOM 0 H ALA B 35 19.228 0.854 7.489 1.00 0.00 H new ATOM 0 HA ALA B 35 21.686 -0.106 8.584 1.00 0.00 H new ATOM 0 HB1 ALA B 35 20.660 -2.307 8.207 1.00 0.00 H new ATOM 0 HB2 ALA B 35 19.533 -1.184 9.004 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.357 -1.537 7.269 1.00 0.00 H new ATOM 1179 N ILE B 36 21.262 -0.086 5.352 1.00 0.00 N ATOM 1180 CA ILE B 36 21.903 -0.285 4.056 1.00 0.00 C ATOM 1181 C ILE B 36 21.990 1.029 3.286 1.00 0.00 C ATOM 1182 O ILE B 36 22.047 1.031 2.055 1.00 0.00 O ATOM 1183 CB ILE B 36 21.139 -1.314 3.196 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.639 -0.996 3.180 1.00 0.00 C ATOM 1185 CG2 ILE B 36 21.390 -2.722 3.711 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.891 -1.636 2.029 1.00 0.00 C ATOM 0 H ILE B 36 20.378 0.421 5.306 1.00 0.00 H new ATOM 0 HA ILE B 36 22.906 -0.663 4.255 1.00 0.00 H new ATOM 0 HB ILE B 36 21.507 -1.254 2.172 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.196 -1.329 4.119 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.507 0.085 3.131 1.00 0.00 H new ATOM 0 HG21 ILE B 36 20.845 -3.437 3.095 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.457 -2.942 3.664 1.00 0.00 H new ATOM 0 HG23 ILE B 36 21.049 -2.798 4.743 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.837 -1.365 2.085 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.306 -1.284 1.085 1.00 0.00 H new ATOM 0 HD13 ILE B 36 18.991 -2.720 2.088 1.00 0.00 H new ATOM 1198 N GLY B 37 22.033 2.132 4.030 1.00 0.00 N ATOM 1199 CA GLY B 37 22.103 3.460 3.434 1.00 0.00 C ATOM 1200 C GLY B 37 21.113 3.673 2.302 1.00 0.00 C ATOM 1201 O GLY B 37 21.484 4.141 1.225 1.00 0.00 O ATOM 0 H GLY B 37 22.020 2.130 5.050 1.00 0.00 H new ATOM 0 HA2 GLY B 37 21.923 4.206 4.208 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.113 3.628 3.059 1.00 0.00 H new ATOM 1205 N LEU B 38 19.851 3.327 2.533 1.00 0.00 N ATOM 1206 CA LEU B 38 18.825 3.489 1.508 1.00 0.00 C ATOM 1207 C LEU B 38 17.731 4.453 1.959 1.00 0.00 C ATOM 1208 O LEU B 38 16.660 4.516 1.355 1.00 0.00 O ATOM 1209 CB LEU B 38 18.209 2.137 1.144 1.00 0.00 C ATOM 1210 CG LEU B 38 18.386 1.718 -0.318 1.00 0.00 C ATOM 1211 CD1 LEU B 38 19.829 1.324 -0.592 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.443 0.577 -0.665 1.00 0.00 C ATOM 0 H LEU B 38 19.515 2.936 3.413 1.00 0.00 H new ATOM 0 HA LEU B 38 19.308 3.910 0.626 1.00 0.00 H new ATOM 0 HB2 LEU B 38 18.649 1.371 1.782 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.143 2.167 1.371 1.00 0.00 H new ATOM 0 HG LEU B 38 18.139 2.570 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU B 38 19.934 1.030 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU B 38 20.483 2.172 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU B 38 20.106 0.488 0.050 1.00 0.00 H new ATOM 0 HD21 LEU B 38 17.584 0.293 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.656 -0.279 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.412 0.897 -0.512 1.00 0.00 H new ATOM 1224 N GLU B 39 18.005 5.196 3.025 1.00 0.00 N ATOM 1225 CA GLU B 39 17.054 6.171 3.566 1.00 0.00 C ATOM 1226 C GLU B 39 16.605 7.184 2.510 1.00 0.00 C ATOM 1227 O GLU B 39 15.504 7.728 2.592 1.00 0.00 O ATOM 1228 CB GLU B 39 17.663 6.910 4.761 1.00 0.00 C ATOM 1229 CG GLU B 39 18.991 7.585 4.451 1.00 0.00 C ATOM 1230 CD GLU B 39 20.183 6.725 4.816 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.113 5.497 4.639 1.00 0.00 O ATOM 1232 OE2 GLU B 39 21.200 7.283 5.276 1.00 0.00 O ATOM 0 H GLU B 39 18.885 5.144 3.538 1.00 0.00 H new ATOM 0 HA GLU B 39 16.176 5.613 3.891 1.00 0.00 H new ATOM 0 HB2 GLU B 39 16.956 7.662 5.110 1.00 0.00 H new ATOM 0 HB3 GLU B 39 17.807 6.204 5.579 1.00 0.00 H new ATOM 0 HG2 GLU B 39 19.033 7.825 3.388 1.00 0.00 H new ATOM 0 HG3 GLU B 39 19.049 8.529 4.993 1.00 0.00 H new ATOM 1239 N ARG B 40 17.444 7.406 1.501 1.00 0.00 N ATOM 1240 CA ARG B 40 17.134 8.355 0.432 1.00 0.00 C ATOM 1241 C ARG B 40 15.998 7.846 -0.460 1.00 0.00 C ATOM 1242 O ARG B 40 15.604 8.514 -1.417 1.00 0.00 O ATOM 1243 CB ARG B 40 18.378 8.628 -0.420 1.00 0.00 C ATOM 1244 CG ARG B 40 19.504 9.311 0.340 1.00 0.00 C ATOM 1245 CD ARG B 40 20.591 9.811 -0.600 1.00 0.00 C ATOM 1246 NE ARG B 40 21.207 8.725 -1.364 1.00 0.00 N ATOM 1247 CZ ARG B 40 22.137 8.902 -2.304 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.581 10.122 -2.589 1.00 0.00 N ATOM 1249 NH2 ARG B 40 22.628 7.855 -2.955 1.00 0.00 N ATOM 0 H ARG B 40 18.346 6.941 1.400 1.00 0.00 H new ATOM 0 HA ARG B 40 16.808 9.283 0.903 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.745 7.684 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.096 9.250 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.103 10.148 0.911 1.00 0.00 H new ATOM 0 HG3 ARG B 40 19.935 8.613 1.058 1.00 0.00 H new ATOM 0 HD2 ARG B 40 20.165 10.541 -1.289 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.358 10.327 -0.023 1.00 0.00 H new ATOM 0 HE ARG B 40 20.906 7.771 -1.165 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.211 10.930 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG B 40 23.292 10.251 -3.309 1.00 0.00 H new ATOM 0 HH21 ARG B 40 22.294 6.916 -2.736 1.00 0.00 H new ATOM 0 HH22 ARG B 40 23.339 7.989 -3.674 1.00 0.00 H new ATOM 1263 N TYR B 41 15.481 6.662 -0.157 1.00 0.00 N ATOM 1264 CA TYR B 41 14.392 6.087 -0.933 1.00 0.00 C ATOM 1265 C TYR B 41 13.065 6.174 -0.180 1.00 0.00 C ATOM 1266 O TYR B 41 12.001 6.106 -0.793 1.00 0.00 O ATOM 1267 CB TYR B 41 14.706 4.637 -1.304 1.00 0.00 C ATOM 1268 CG TYR B 41 15.707 4.515 -2.431 1.00 0.00 C ATOM 1269 CD1 TYR B 41 17.072 4.610 -2.187 1.00 0.00 C ATOM 1270 CD2 TYR B 41 15.288 4.317 -3.740 1.00 0.00 C ATOM 1271 CE1 TYR B 41 17.987 4.509 -3.216 1.00 0.00 C ATOM 1272 CE2 TYR B 41 16.198 4.215 -4.775 1.00 0.00 C ATOM 1273 CZ TYR B 41 17.547 4.313 -4.507 1.00 0.00 C ATOM 1274 OH TYR B 41 18.458 4.216 -5.533 1.00 0.00 O ATOM 0 H TYR B 41 15.798 6.082 0.620 1.00 0.00 H new ATOM 0 HA TYR B 41 14.292 6.668 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.092 4.119 -0.426 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.783 4.134 -1.590 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.422 4.765 -1.177 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.232 4.241 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR B 41 19.044 4.583 -3.010 1.00 0.00 H new ATOM 0 HE2 TYR B 41 15.855 4.060 -5.787 1.00 0.00 H new ATOM 0 HH TYR B 41 19.319 3.911 -5.178 1.00 0.00 H new ATOM 1284 N GLU B 42 13.140 6.314 1.149 1.00 0.00 N ATOM 1285 CA GLU B 42 11.941 6.424 1.997 1.00 0.00 C ATOM 1286 C GLU B 42 10.962 7.444 1.426 1.00 0.00 C ATOM 1287 O GLU B 42 9.778 7.155 1.260 1.00 0.00 O ATOM 1288 CB GLU B 42 12.336 6.826 3.421 1.00 0.00 C ATOM 1289 CG GLU B 42 11.172 6.847 4.400 1.00 0.00 C ATOM 1290 CD GLU B 42 11.597 7.205 5.811 1.00 0.00 C ATOM 1291 OE1 GLU B 42 12.648 7.857 5.975 1.00 0.00 O ATOM 1292 OE2 GLU B 42 10.882 6.833 6.765 1.00 0.00 O ATOM 0 H GLU B 42 14.020 6.354 1.664 1.00 0.00 H new ATOM 0 HA GLU B 42 11.452 5.450 2.020 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.093 6.133 3.787 1.00 0.00 H new ATOM 0 HB3 GLU B 42 12.794 7.815 3.395 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.427 7.565 4.057 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.692 5.869 4.407 1.00 0.00 H new ATOM 1299 N GLU B 43 11.484 8.640 1.174 1.00 0.00 N ATOM 1300 CA GLU B 43 10.710 9.740 0.593 1.00 0.00 C ATOM 1301 C GLU B 43 9.825 9.252 -0.563 1.00 0.00 C ATOM 1302 O GLU B 43 8.630 9.544 -0.608 1.00 0.00 O ATOM 1303 CB GLU B 43 11.650 10.841 0.097 1.00 0.00 C ATOM 1304 CG GLU B 43 10.928 12.032 -0.515 1.00 0.00 C ATOM 1305 CD GLU B 43 11.010 13.270 0.350 1.00 0.00 C ATOM 1306 OE1 GLU B 43 12.092 13.891 0.400 1.00 0.00 O ATOM 1307 OE2 GLU B 43 9.992 13.636 0.978 1.00 0.00 O ATOM 0 H GLU B 43 12.457 8.878 1.366 1.00 0.00 H new ATOM 0 HA GLU B 43 10.061 10.140 1.372 1.00 0.00 H new ATOM 0 HB2 GLU B 43 12.261 11.187 0.930 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.330 10.420 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU B 43 11.357 12.248 -1.494 1.00 0.00 H new ATOM 0 HG3 GLU B 43 9.881 11.774 -0.675 1.00 0.00 H new ATOM 1314 N GLY B 44 10.414 8.484 -1.475 1.00 0.00 N ATOM 1315 CA GLY B 44 9.676 7.978 -2.619 1.00 0.00 C ATOM 1316 C GLY B 44 8.734 6.842 -2.255 1.00 0.00 C ATOM 1317 O GLY B 44 7.630 6.748 -2.791 1.00 0.00 O ATOM 0 H GLY B 44 11.394 8.202 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.103 8.791 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY B 44 10.380 7.632 -3.376 1.00 0.00 H new ATOM 1321 N LEU B 45 9.171 5.984 -1.340 1.00 0.00 N ATOM 1322 CA LEU B 45 8.367 4.846 -0.903 1.00 0.00 C ATOM 1323 C LEU B 45 7.051 5.307 -0.275 1.00 0.00 C ATOM 1324 O LEU B 45 5.976 4.915 -0.726 1.00 0.00 O ATOM 1325 CB LEU B 45 9.162 3.986 0.084 1.00 0.00 C ATOM 1326 CG LEU B 45 10.219 3.073 -0.550 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.388 2.862 0.398 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.603 1.734 -0.933 1.00 0.00 C ATOM 0 H LEU B 45 10.081 6.055 -0.884 1.00 0.00 H new ATOM 0 HA LEU B 45 8.125 4.244 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.655 4.644 0.799 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.463 3.369 0.648 1.00 0.00 H new ATOM 0 HG LEU B 45 10.591 3.559 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU B 45 12.125 2.211 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.847 3.823 0.629 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.031 2.400 1.318 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.366 1.098 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.204 1.249 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.798 1.896 -1.650 1.00 0.00 H new ATOM 1340 N VAL B 46 7.151 6.108 0.786 1.00 0.00 N ATOM 1341 CA VAL B 46 5.979 6.652 1.489 1.00 0.00 C ATOM 1342 C VAL B 46 4.906 7.188 0.529 1.00 0.00 C ATOM 1343 O VAL B 46 3.708 7.010 0.764 1.00 0.00 O ATOM 1344 CB VAL B 46 6.396 7.780 2.463 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.178 8.431 3.106 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.337 7.242 3.532 1.00 0.00 C ATOM 0 H VAL B 46 8.043 6.400 1.185 1.00 0.00 H new ATOM 0 HA VAL B 46 5.547 5.820 2.045 1.00 0.00 H new ATOM 0 HB VAL B 46 6.921 8.542 1.887 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.503 9.219 3.785 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.542 8.859 2.331 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.616 7.681 3.663 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.620 8.049 4.208 1.00 0.00 H new ATOM 0 HG22 VAL B 46 6.835 6.456 4.096 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.231 6.835 3.059 1.00 0.00 H new ATOM 1356 N HIS B 47 5.339 7.810 -0.562 1.00 0.00 N ATOM 1357 CA HIS B 47 4.416 8.379 -1.544 1.00 0.00 C ATOM 1358 C HIS B 47 3.537 7.316 -2.196 1.00 0.00 C ATOM 1359 O HIS B 47 2.482 7.629 -2.752 1.00 0.00 O ATOM 1360 CB HIS B 47 5.185 9.122 -2.632 1.00 0.00 C ATOM 1361 CG HIS B 47 5.007 10.608 -2.587 1.00 0.00 C ATOM 1362 ND1 HIS B 47 4.543 11.357 -3.645 1.00 0.00 N ATOM 1363 CD2 HIS B 47 5.238 11.487 -1.579 1.00 0.00 C ATOM 1364 CE1 HIS B 47 4.506 12.637 -3.258 1.00 0.00 C ATOM 1365 NE2 HIS B 47 4.917 12.770 -2.011 1.00 0.00 N ATOM 0 H HIS B 47 6.325 7.934 -0.791 1.00 0.00 H new ATOM 0 HA HIS B 47 3.771 9.070 -1.002 1.00 0.00 H new ATOM 0 HB2 HIS B 47 6.246 8.889 -2.538 1.00 0.00 H new ATOM 0 HB3 HIS B 47 4.863 8.756 -3.607 1.00 0.00 H new ATOM 0 HD2 HIS B 47 5.611 11.231 -0.598 1.00 0.00 H new ATOM 0 HE1 HIS B 47 4.182 13.455 -3.884 1.00 0.00 H new ATOM 0 HE2 HIS B 47 4.985 13.635 -1.475 1.00 0.00 H new ATOM 1373 N ASN B 48 3.954 6.063 -2.133 1.00 0.00 N ATOM 1374 CA ASN B 48 3.182 5.003 -2.746 1.00 0.00 C ATOM 1375 C ASN B 48 2.593 4.053 -1.712 1.00 0.00 C ATOM 1376 O ASN B 48 2.348 2.883 -2.005 1.00 0.00 O ATOM 1377 CB ASN B 48 4.016 4.223 -3.766 1.00 0.00 C ATOM 1378 CG ASN B 48 4.104 4.928 -5.108 1.00 0.00 C ATOM 1379 OD1 ASN B 48 4.293 6.142 -5.180 1.00 0.00 O ATOM 1380 ND2 ASN B 48 3.946 4.176 -6.187 1.00 0.00 N ATOM 0 H ASN B 48 4.811 5.760 -1.670 1.00 0.00 H new ATOM 0 HA ASN B 48 2.355 5.483 -3.268 1.00 0.00 H new ATOM 0 HB2 ASN B 48 5.021 4.075 -3.371 1.00 0.00 H new ATOM 0 HB3 ASN B 48 3.580 3.234 -3.907 1.00 0.00 H new ATOM 0 HD21 ASN B 48 3.979 4.601 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN B 48 3.791 3.172 -6.091 1.00 0.00 H new ATOM 1387 N GLY B 49 2.360 4.559 -0.510 1.00 0.00 N ATOM 1388 CA GLY B 49 1.766 3.746 0.534 1.00 0.00 C ATOM 1389 C GLY B 49 2.739 2.779 1.160 1.00 0.00 C ATOM 1390 O GLY B 49 2.493 1.573 1.189 1.00 0.00 O ATOM 0 H GLY B 49 2.571 5.519 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY B 49 1.363 4.398 1.309 1.00 0.00 H new ATOM 0 HA3 GLY B 49 0.927 3.189 0.118 1.00 0.00 H new ATOM 1394 N TRP B 50 3.848 3.305 1.645 1.00 0.00 N ATOM 1395 CA TRP B 50 4.867 2.493 2.290 1.00 0.00 C ATOM 1396 C TRP B 50 5.288 3.155 3.591 1.00 0.00 C ATOM 1397 O TRP B 50 6.444 3.088 4.000 1.00 0.00 O ATOM 1398 CB TRP B 50 6.072 2.300 1.366 1.00 0.00 C ATOM 1399 CG TRP B 50 5.766 1.457 0.166 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.822 1.838 -1.144 1.00 0.00 C ATOM 1401 CD2 TRP B 50 5.341 0.090 0.168 1.00 0.00 C ATOM 1402 NE1 TRP B 50 5.462 0.790 -1.956 1.00 0.00 N ATOM 1403 CE2 TRP B 50 5.162 -0.294 -1.173 1.00 0.00 C ATOM 1404 CE3 TRP B 50 5.098 -0.847 1.177 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 4.749 -1.574 -1.530 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.690 -2.117 0.820 1.00 0.00 C ATOM 1407 CH2 TRP B 50 4.518 -2.470 -0.522 1.00 0.00 C ATOM 0 H TRP B 50 4.069 4.300 1.604 1.00 0.00 H new ATOM 0 HA TRP B 50 4.454 1.508 2.507 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.428 3.276 1.035 1.00 0.00 H new ATOM 0 HB3 TRP B 50 6.883 1.838 1.929 1.00 0.00 H new ATOM 0 HD1 TRP B 50 6.108 2.820 -1.491 1.00 0.00 H new ATOM 0 HE1 TRP B 50 5.424 0.815 -2.975 1.00 0.00 H new ATOM 0 HE3 TRP B 50 5.227 -0.582 2.216 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 4.616 -1.850 -2.566 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 4.501 -2.850 1.590 1.00 0.00 H new ATOM 0 HH2 TRP B 50 4.196 -3.471 -0.768 1.00 0.00 H new ATOM 1418 N ASP B 51 4.324 3.798 4.234 1.00 0.00 N ATOM 1419 CA ASP B 51 4.559 4.490 5.492 1.00 0.00 C ATOM 1420 C ASP B 51 4.611 3.501 6.644 1.00 0.00 C ATOM 1421 O ASP B 51 5.110 3.814 7.726 1.00 0.00 O ATOM 1422 CB ASP B 51 3.471 5.545 5.742 1.00 0.00 C ATOM 1423 CG ASP B 51 2.060 4.988 5.635 1.00 0.00 C ATOM 1424 OD1 ASP B 51 1.736 4.376 4.596 1.00 0.00 O ATOM 1425 OD2 ASP B 51 1.266 5.189 6.582 1.00 0.00 O ATOM 0 H ASP B 51 3.362 3.854 3.900 1.00 0.00 H new ATOM 0 HA ASP B 51 5.522 4.997 5.427 1.00 0.00 H new ATOM 0 HB2 ASP B 51 3.611 5.974 6.734 1.00 0.00 H new ATOM 0 HB3 ASP B 51 3.590 6.357 5.024 1.00 0.00 H new ATOM 1430 N ASP B 52 4.101 2.303 6.405 1.00 0.00 N ATOM 1431 CA ASP B 52 4.104 1.266 7.419 1.00 0.00 C ATOM 1432 C ASP B 52 5.174 0.224 7.124 1.00 0.00 C ATOM 1433 O ASP B 52 5.233 -0.332 6.026 1.00 0.00 O ATOM 1434 CB ASP B 52 2.743 0.590 7.514 1.00 0.00 C ATOM 1435 CG ASP B 52 2.763 -0.551 8.500 1.00 0.00 C ATOM 1436 OD1 ASP B 52 2.955 -0.301 9.705 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.600 -1.709 8.078 1.00 0.00 O ATOM 0 H ASP B 52 3.681 2.027 5.518 1.00 0.00 H new ATOM 0 HA ASP B 52 4.326 1.742 8.374 1.00 0.00 H new ATOM 0 HB2 ASP B 52 1.992 1.321 7.816 1.00 0.00 H new ATOM 0 HB3 ASP B 52 2.450 0.219 6.532 1.00 0.00 H new ATOM 1442 N LEU B 53 6.007 -0.042 8.117 1.00 0.00 N ATOM 1443 CA LEU B 53 7.089 -1.007 7.978 1.00 0.00 C ATOM 1444 C LEU B 53 6.572 -2.440 8.011 1.00 0.00 C ATOM 1445 O LEU B 53 7.145 -3.327 7.385 1.00 0.00 O ATOM 1446 CB LEU B 53 8.113 -0.811 9.096 1.00 0.00 C ATOM 1447 CG LEU B 53 9.322 0.044 8.726 1.00 0.00 C ATOM 1448 CD1 LEU B 53 10.131 0.384 9.967 1.00 0.00 C ATOM 1449 CD2 LEU B 53 10.190 -0.677 7.706 1.00 0.00 C ATOM 0 H LEU B 53 5.955 0.400 9.035 1.00 0.00 H new ATOM 0 HA LEU B 53 7.560 -0.836 7.010 1.00 0.00 H new ATOM 0 HB2 LEU B 53 7.612 -0.354 9.950 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.466 -1.790 9.420 1.00 0.00 H new ATOM 0 HG LEU B 53 8.966 0.973 8.281 1.00 0.00 H new ATOM 0 HD11 LEU B 53 10.989 0.994 9.686 1.00 0.00 H new ATOM 0 HD12 LEU B 53 9.506 0.938 10.668 1.00 0.00 H new ATOM 0 HD13 LEU B 53 10.478 -0.536 10.438 1.00 0.00 H new ATOM 0 HD21 LEU B 53 11.048 -0.054 7.453 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.538 -1.620 8.127 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.607 -0.874 6.807 1.00 0.00 H new ATOM 1461 N GLU B 54 5.475 -2.653 8.723 1.00 0.00 N ATOM 1462 CA GLU B 54 4.900 -3.983 8.858 1.00 0.00 C ATOM 1463 C GLU B 54 4.442 -4.529 7.503 1.00 0.00 C ATOM 1464 O GLU B 54 4.711 -5.683 7.173 1.00 0.00 O ATOM 1465 CB GLU B 54 3.750 -3.958 9.865 1.00 0.00 C ATOM 1466 CG GLU B 54 4.100 -3.210 11.145 1.00 0.00 C ATOM 1467 CD GLU B 54 3.191 -3.564 12.302 1.00 0.00 C ATOM 1468 OE1 GLU B 54 1.957 -3.472 12.143 1.00 0.00 O ATOM 1469 OE2 GLU B 54 3.711 -3.930 13.378 1.00 0.00 O ATOM 0 H GLU B 54 4.965 -1.921 9.217 1.00 0.00 H new ATOM 0 HA GLU B 54 5.671 -4.657 9.233 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.880 -3.491 9.404 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.469 -4.981 10.113 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.131 -3.432 11.419 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.043 -2.137 10.960 1.00 0.00 H new ATOM 1476 N PHE B 55 3.774 -3.698 6.711 1.00 0.00 N ATOM 1477 CA PHE B 55 3.313 -4.115 5.390 1.00 0.00 C ATOM 1478 C PHE B 55 4.488 -4.208 4.418 1.00 0.00 C ATOM 1479 O PHE B 55 4.469 -5.006 3.480 1.00 0.00 O ATOM 1480 CB PHE B 55 2.260 -3.144 4.851 1.00 0.00 C ATOM 1481 CG PHE B 55 1.462 -3.697 3.702 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.363 -4.509 3.933 1.00 0.00 C ATOM 1483 CD2 PHE B 55 1.812 -3.409 2.394 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -0.370 -5.022 2.879 1.00 0.00 C ATOM 1485 CE2 PHE B 55 1.085 -3.920 1.337 1.00 0.00 C ATOM 1486 CZ PHE B 55 -0.008 -4.727 1.580 1.00 0.00 C ATOM 0 H PHE B 55 3.540 -2.736 6.958 1.00 0.00 H new ATOM 0 HA PHE B 55 2.858 -5.101 5.486 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.579 -2.875 5.659 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.754 -2.227 4.531 1.00 0.00 H new ATOM 0 HD1 PHE B 55 0.076 -4.744 4.947 1.00 0.00 H new ATOM 0 HD2 PHE B 55 2.665 -2.776 2.198 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -1.225 -5.653 3.072 1.00 0.00 H new ATOM 0 HE2 PHE B 55 1.371 -3.689 0.322 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.579 -5.127 0.755 1.00 0.00 H new ATOM 1496 N LEU B 56 5.517 -3.396 4.657 1.00 0.00 N ATOM 1497 CA LEU B 56 6.708 -3.388 3.809 1.00 0.00 C ATOM 1498 C LEU B 56 7.394 -4.753 3.834 1.00 0.00 C ATOM 1499 O LEU B 56 8.093 -5.127 2.896 1.00 0.00 O ATOM 1500 CB LEU B 56 7.684 -2.298 4.266 1.00 0.00 C ATOM 1501 CG LEU B 56 8.920 -2.110 3.379 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.559 -1.377 2.097 1.00 0.00 C ATOM 1503 CD2 LEU B 56 10.009 -1.361 4.132 1.00 0.00 C ATOM 0 H LEU B 56 5.550 -2.734 5.432 1.00 0.00 H new ATOM 0 HA LEU B 56 6.398 -3.173 2.786 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.147 -1.351 4.317 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.016 -2.532 5.278 1.00 0.00 H new ATOM 0 HG LEU B 56 9.300 -3.096 3.112 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.452 -1.255 1.484 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.816 -1.953 1.546 1.00 0.00 H new ATOM 0 HD13 LEU B 56 8.150 -0.397 2.341 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.878 -1.237 3.486 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.637 -0.381 4.431 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.293 -1.927 5.019 1.00 0.00 H new ATOM 1515 N SER B 57 7.171 -5.502 4.908 1.00 0.00 N ATOM 1516 CA SER B 57 7.753 -6.830 5.059 1.00 0.00 C ATOM 1517 C SER B 57 7.171 -7.808 4.038 1.00 0.00 C ATOM 1518 O SER B 57 7.737 -8.874 3.793 1.00 0.00 O ATOM 1519 CB SER B 57 7.499 -7.351 6.474 1.00 0.00 C ATOM 1520 OG SER B 57 7.331 -6.281 7.388 1.00 0.00 O ATOM 0 H SER B 57 6.587 -5.209 5.692 1.00 0.00 H new ATOM 0 HA SER B 57 8.826 -6.751 4.884 1.00 0.00 H new ATOM 0 HB2 SER B 57 6.609 -7.981 6.479 1.00 0.00 H new ATOM 0 HB3 SER B 57 8.334 -7.976 6.790 1.00 0.00 H new ATOM 0 HG SER B 57 6.376 -6.094 7.500 1.00 0.00 H new ATOM 1526 N ASP B 58 6.044 -7.439 3.439 1.00 0.00 N ATOM 1527 CA ASP B 58 5.385 -8.292 2.457 1.00 0.00 C ATOM 1528 C ASP B 58 5.455 -7.673 1.064 1.00 0.00 C ATOM 1529 O ASP B 58 4.624 -7.959 0.197 1.00 0.00 O ATOM 1530 CB ASP B 58 3.925 -8.526 2.859 1.00 0.00 C ATOM 1531 CG ASP B 58 3.409 -9.875 2.403 1.00 0.00 C ATOM 1532 OD1 ASP B 58 4.057 -10.899 2.714 1.00 0.00 O ATOM 1533 OD2 ASP B 58 2.349 -9.922 1.743 1.00 0.00 O ATOM 0 H ASP B 58 5.568 -6.555 3.616 1.00 0.00 H new ATOM 0 HA ASP B 58 5.905 -9.250 2.431 1.00 0.00 H new ATOM 0 HB2 ASP B 58 3.833 -8.452 3.943 1.00 0.00 H new ATOM 0 HB3 ASP B 58 3.303 -7.739 2.432 1.00 0.00 H new ATOM 1538 N ILE B 59 6.453 -6.822 0.848 1.00 0.00 N ATOM 1539 CA ILE B 59 6.627 -6.165 -0.441 1.00 0.00 C ATOM 1540 C ILE B 59 7.223 -7.131 -1.466 1.00 0.00 C ATOM 1541 O ILE B 59 7.980 -8.041 -1.120 1.00 0.00 O ATOM 1542 CB ILE B 59 7.520 -4.902 -0.331 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.397 -4.046 -1.596 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.977 -5.279 -0.088 1.00 0.00 C ATOM 1545 CD1 ILE B 59 8.093 -2.706 -1.495 1.00 0.00 C ATOM 0 H ILE B 59 7.152 -6.572 1.548 1.00 0.00 H new ATOM 0 HA ILE B 59 5.638 -5.852 -0.775 1.00 0.00 H new ATOM 0 HB ILE B 59 7.173 -4.319 0.522 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.812 -4.598 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.341 -3.882 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.580 -4.374 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE B 59 9.057 -5.844 0.841 1.00 0.00 H new ATOM 0 HG23 ILE B 59 9.338 -5.889 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.962 -2.157 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE B 59 7.663 -2.133 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE B 59 9.156 -2.861 -1.311 1.00 0.00 H new ATOM 1557 N THR B 60 6.859 -6.937 -2.722 1.00 0.00 N ATOM 1558 CA THR B 60 7.353 -7.772 -3.799 1.00 0.00 C ATOM 1559 C THR B 60 8.446 -7.044 -4.567 1.00 0.00 C ATOM 1560 O THR B 60 8.615 -5.830 -4.418 1.00 0.00 O ATOM 1561 CB THR B 60 6.214 -8.130 -4.775 1.00 0.00 C ATOM 1562 OG1 THR B 60 5.549 -6.932 -5.203 1.00 0.00 O ATOM 1563 CG2 THR B 60 5.212 -9.072 -4.124 1.00 0.00 C ATOM 0 H THR B 60 6.218 -6.202 -3.021 1.00 0.00 H new ATOM 0 HA THR B 60 7.754 -8.686 -3.360 1.00 0.00 H new ATOM 0 HB THR B 60 6.647 -8.636 -5.638 1.00 0.00 H new ATOM 0 HG1 THR B 60 4.827 -7.163 -5.824 1.00 0.00 H new ATOM 0 HG21 THR B 60 4.420 -9.308 -4.834 1.00 0.00 H new ATOM 0 HG22 THR B 60 5.717 -9.991 -3.825 1.00 0.00 H new ATOM 0 HG23 THR B 60 4.780 -8.593 -3.245 1.00 0.00 H new ATOM 1571 N GLU B 61 9.185 -7.775 -5.394 1.00 0.00 N ATOM 1572 CA GLU B 61 10.237 -7.172 -6.199 1.00 0.00 C ATOM 1573 C GLU B 61 9.609 -6.315 -7.292 1.00 0.00 C ATOM 1574 O GLU B 61 10.271 -5.486 -7.915 1.00 0.00 O ATOM 1575 CB GLU B 61 11.132 -8.248 -6.823 1.00 0.00 C ATOM 1576 CG GLU B 61 12.606 -8.083 -6.485 1.00 0.00 C ATOM 1577 CD GLU B 61 13.515 -8.831 -7.442 1.00 0.00 C ATOM 1578 OE1 GLU B 61 13.609 -8.419 -8.617 1.00 0.00 O ATOM 1579 OE2 GLU B 61 14.147 -9.823 -7.019 1.00 0.00 O ATOM 0 H GLU B 61 9.075 -8.781 -5.523 1.00 0.00 H new ATOM 0 HA GLU B 61 10.857 -6.548 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU B 61 10.797 -9.229 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU B 61 11.011 -8.226 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU B 61 12.862 -7.024 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU B 61 12.783 -8.438 -5.470 1.00 0.00 H new ATOM 1586 N GLU B 62 8.313 -6.523 -7.501 1.00 0.00 N ATOM 1587 CA GLU B 62 7.562 -5.790 -8.504 1.00 0.00 C ATOM 1588 C GLU B 62 7.112 -4.440 -7.956 1.00 0.00 C ATOM 1589 O GLU B 62 7.358 -3.402 -8.565 1.00 0.00 O ATOM 1590 CB GLU B 62 6.337 -6.596 -8.950 1.00 0.00 C ATOM 1591 CG GLU B 62 6.593 -8.091 -9.083 1.00 0.00 C ATOM 1592 CD GLU B 62 7.447 -8.444 -10.285 1.00 0.00 C ATOM 1593 OE1 GLU B 62 7.980 -7.525 -10.942 1.00 0.00 O ATOM 1594 OE2 GLU B 62 7.585 -9.648 -10.584 1.00 0.00 O ATOM 0 H GLU B 62 7.759 -7.203 -6.980 1.00 0.00 H new ATOM 0 HA GLU B 62 8.214 -5.626 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU B 62 5.531 -6.438 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU B 62 5.991 -6.211 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU B 62 7.083 -8.451 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU B 62 5.638 -8.612 -9.158 1.00 0.00 H new ATOM 1601 N ASP B 63 6.450 -4.462 -6.798 1.00 0.00 N ATOM 1602 CA ASP B 63 5.952 -3.236 -6.173 1.00 0.00 C ATOM 1603 C ASP B 63 7.072 -2.268 -5.799 1.00 0.00 C ATOM 1604 O ASP B 63 6.820 -1.076 -5.628 1.00 0.00 O ATOM 1605 CB ASP B 63 5.098 -3.556 -4.943 1.00 0.00 C ATOM 1606 CG ASP B 63 3.612 -3.535 -5.252 1.00 0.00 C ATOM 1607 OD1 ASP B 63 2.992 -2.447 -5.183 1.00 0.00 O ATOM 1608 OD2 ASP B 63 3.056 -4.601 -5.581 1.00 0.00 O ATOM 0 H ASP B 63 6.247 -5.314 -6.275 1.00 0.00 H new ATOM 0 HA ASP B 63 5.332 -2.740 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP B 63 5.373 -4.538 -4.558 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.313 -2.833 -4.156 1.00 0.00 H new ATOM 1613 N LEU B 64 8.296 -2.769 -5.636 1.00 0.00 N ATOM 1614 CA LEU B 64 9.430 -1.903 -5.320 1.00 0.00 C ATOM 1615 C LEU B 64 9.583 -0.833 -6.397 1.00 0.00 C ATOM 1616 O LEU B 64 9.705 0.355 -6.092 1.00 0.00 O ATOM 1617 CB LEU B 64 10.716 -2.728 -5.208 1.00 0.00 C ATOM 1618 CG LEU B 64 10.988 -3.320 -3.825 1.00 0.00 C ATOM 1619 CD1 LEU B 64 12.108 -4.344 -3.892 1.00 0.00 C ATOM 1620 CD2 LEU B 64 11.338 -2.219 -2.836 1.00 0.00 C ATOM 0 H LEU B 64 8.526 -3.759 -5.717 1.00 0.00 H new ATOM 0 HA LEU B 64 9.245 -1.418 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.672 -3.542 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.560 -2.097 -5.489 1.00 0.00 H new ATOM 0 HG LEU B 64 10.083 -3.821 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.286 -4.754 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU B 64 11.825 -5.149 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.017 -3.865 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.529 -2.657 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.229 -1.693 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.507 -1.517 -2.764 1.00 0.00 H new ATOM 1632 N GLU B 65 9.617 -1.290 -7.649 1.00 0.00 N ATOM 1633 CA GLU B 65 9.712 -0.421 -8.826 1.00 0.00 C ATOM 1634 C GLU B 65 8.832 0.830 -8.711 1.00 0.00 C ATOM 1635 O GLU B 65 9.239 1.915 -9.131 1.00 0.00 O ATOM 1636 CB GLU B 65 9.335 -1.219 -10.080 1.00 0.00 C ATOM 1637 CG GLU B 65 8.921 -0.359 -11.265 1.00 0.00 C ATOM 1638 CD GLU B 65 9.229 -1.007 -12.597 1.00 0.00 C ATOM 1639 OE1 GLU B 65 9.506 -2.224 -12.627 1.00 0.00 O ATOM 1640 OE2 GLU B 65 9.209 -0.295 -13.624 1.00 0.00 O ATOM 0 H GLU B 65 9.579 -2.283 -7.879 1.00 0.00 H new ATOM 0 HA GLU B 65 10.743 -0.074 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU B 65 10.184 -1.837 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU B 65 8.517 -1.897 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU B 65 7.852 -0.155 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU B 65 9.432 0.602 -11.207 1.00 0.00 H new ATOM 1647 N GLU B 66 7.643 0.682 -8.127 1.00 0.00 N ATOM 1648 CA GLU B 66 6.703 1.792 -7.958 1.00 0.00 C ATOM 1649 C GLU B 66 7.331 2.981 -7.232 1.00 0.00 C ATOM 1650 O GLU B 66 7.004 4.133 -7.511 1.00 0.00 O ATOM 1651 CB GLU B 66 5.490 1.319 -7.161 1.00 0.00 C ATOM 1652 CG GLU B 66 4.698 0.226 -7.847 1.00 0.00 C ATOM 1653 CD GLU B 66 3.431 0.746 -8.486 1.00 0.00 C ATOM 1654 OE1 GLU B 66 3.094 1.930 -8.275 1.00 0.00 O ATOM 1655 OE2 GLU B 66 2.760 -0.039 -9.183 1.00 0.00 O ATOM 0 H GLU B 66 7.304 -0.207 -7.759 1.00 0.00 H new ATOM 0 HA GLU B 66 6.411 2.120 -8.956 1.00 0.00 H new ATOM 0 HB2 GLU B 66 5.824 0.957 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU B 66 4.834 2.170 -6.976 1.00 0.00 H new ATOM 0 HG2 GLU B 66 5.319 -0.245 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU B 66 4.445 -0.546 -7.120 1.00 0.00 H new ATOM 1662 N ALA B 67 8.235 2.698 -6.306 1.00 0.00 N ATOM 1663 CA ALA B 67 8.886 3.744 -5.531 1.00 0.00 C ATOM 1664 C ALA B 67 10.170 4.219 -6.199 1.00 0.00 C ATOM 1665 O ALA B 67 10.959 4.949 -5.602 1.00 0.00 O ATOM 1666 CB ALA B 67 9.171 3.245 -4.125 1.00 0.00 C ATOM 0 H ALA B 67 8.535 1.751 -6.073 1.00 0.00 H new ATOM 0 HA ALA B 67 8.209 4.597 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA B 67 9.658 4.033 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA B 67 8.235 2.969 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.825 2.374 -4.174 1.00 0.00 H new ATOM 1672 N GLY B 68 10.380 3.797 -7.440 1.00 0.00 N ATOM 1673 CA GLY B 68 11.568 4.196 -8.165 1.00 0.00 C ATOM 1674 C GLY B 68 12.686 3.185 -8.036 1.00 0.00 C ATOM 1675 O GLY B 68 13.737 3.324 -8.661 1.00 0.00 O ATOM 0 H GLY B 68 9.748 3.185 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY B 68 11.321 4.329 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY B 68 11.910 5.162 -7.794 1.00 0.00 H new ATOM 1679 N VAL B 69 12.459 2.154 -7.233 1.00 0.00 N ATOM 1680 CA VAL B 69 13.457 1.116 -7.028 1.00 0.00 C ATOM 1681 C VAL B 69 13.426 0.125 -8.186 1.00 0.00 C ATOM 1682 O VAL B 69 12.964 -1.007 -8.047 1.00 0.00 O ATOM 1683 CB VAL B 69 13.245 0.367 -5.694 1.00 0.00 C ATOM 1684 CG1 VAL B 69 14.479 -0.447 -5.332 1.00 0.00 C ATOM 1685 CG2 VAL B 69 12.900 1.339 -4.575 1.00 0.00 C ATOM 0 H VAL B 69 11.592 2.015 -6.714 1.00 0.00 H new ATOM 0 HA VAL B 69 14.431 1.603 -6.985 1.00 0.00 H new ATOM 0 HB VAL B 69 12.406 -0.318 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.308 -0.967 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL B 69 14.677 -1.176 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.336 0.218 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL B 69 12.755 0.788 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.714 2.054 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL B 69 11.984 1.873 -4.826 1.00 0.00 H new ATOM 1695 N GLN B 70 13.896 0.576 -9.339 1.00 0.00 N ATOM 1696 CA GLN B 70 13.927 -0.255 -10.534 1.00 0.00 C ATOM 1697 C GLN B 70 15.291 -0.912 -10.698 1.00 0.00 C ATOM 1698 O GLN B 70 15.479 -1.779 -11.555 1.00 0.00 O ATOM 1699 CB GLN B 70 13.590 0.589 -11.763 1.00 0.00 C ATOM 1700 CG GLN B 70 12.144 1.054 -11.788 1.00 0.00 C ATOM 1701 CD GLN B 70 11.897 2.184 -12.768 1.00 0.00 C ATOM 1702 OE1 GLN B 70 12.762 3.030 -12.994 1.00 0.00 O ATOM 1703 NE2 GLN B 70 10.720 2.193 -13.369 1.00 0.00 N ATOM 0 H GLN B 70 14.263 1.518 -9.473 1.00 0.00 H new ATOM 0 HA GLN B 70 13.181 -1.043 -10.430 1.00 0.00 H new ATOM 0 HB2 GLN B 70 14.246 1.459 -11.790 1.00 0.00 H new ATOM 0 HB3 GLN B 70 13.794 0.008 -12.662 1.00 0.00 H new ATOM 0 HG2 GLN B 70 11.503 0.211 -12.046 1.00 0.00 H new ATOM 0 HG3 GLN B 70 11.856 1.379 -10.788 1.00 0.00 H new ATOM 0 HE21 GLN B 70 10.031 1.473 -13.152 1.00 0.00 H new ATOM 0 HE22 GLN B 70 10.500 2.920 -14.049 1.00 0.00 H new ATOM 1712 N ASP B 71 16.236 -0.500 -9.864 1.00 0.00 N ATOM 1713 CA ASP B 71 17.587 -1.042 -9.905 1.00 0.00 C ATOM 1714 C ASP B 71 17.627 -2.430 -9.268 1.00 0.00 C ATOM 1715 O ASP B 71 17.149 -2.618 -8.147 1.00 0.00 O ATOM 1716 CB ASP B 71 18.559 -0.105 -9.187 1.00 0.00 C ATOM 1717 CG ASP B 71 19.955 -0.684 -9.092 1.00 0.00 C ATOM 1718 OD1 ASP B 71 20.700 -0.622 -10.089 1.00 0.00 O ATOM 1719 OD2 ASP B 71 20.311 -1.197 -8.014 1.00 0.00 O ATOM 0 H ASP B 71 16.091 0.211 -9.148 1.00 0.00 H new ATOM 0 HA ASP B 71 17.890 -1.129 -10.948 1.00 0.00 H new ATOM 0 HB2 ASP B 71 18.599 0.847 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP B 71 18.186 0.102 -8.184 1.00 0.00 H new ATOM 1724 N PRO B 72 18.194 -3.418 -9.981 1.00 0.00 N ATOM 1725 CA PRO B 72 18.286 -4.803 -9.502 1.00 0.00 C ATOM 1726 C PRO B 72 19.007 -4.934 -8.157 1.00 0.00 C ATOM 1727 O PRO B 72 18.527 -5.626 -7.258 1.00 0.00 O ATOM 1728 CB PRO B 72 19.078 -5.526 -10.601 1.00 0.00 C ATOM 1729 CG PRO B 72 19.699 -4.450 -11.426 1.00 0.00 C ATOM 1730 CD PRO B 72 18.784 -3.266 -11.322 1.00 0.00 C ATOM 0 HA PRO B 72 17.294 -5.218 -9.326 1.00 0.00 H new ATOM 0 HB2 PRO B 72 19.839 -6.178 -10.171 1.00 0.00 H new ATOM 0 HB3 PRO B 72 18.424 -6.155 -11.205 1.00 0.00 H new ATOM 0 HG2 PRO B 72 20.696 -4.205 -11.061 1.00 0.00 H new ATOM 0 HG3 PRO B 72 19.809 -4.768 -12.463 1.00 0.00 H new ATOM 0 HD2 PRO B 72 19.328 -2.326 -11.419 1.00 0.00 H new ATOM 0 HD3 PRO B 72 18.022 -3.275 -12.101 1.00 0.00 H new ATOM 1738 N ALA B 73 20.146 -4.262 -8.022 1.00 0.00 N ATOM 1739 CA ALA B 73 20.929 -4.326 -6.794 1.00 0.00 C ATOM 1740 C ALA B 73 20.162 -3.748 -5.610 1.00 0.00 C ATOM 1741 O ALA B 73 20.093 -4.364 -4.547 1.00 0.00 O ATOM 1742 CB ALA B 73 22.254 -3.601 -6.973 1.00 0.00 C ATOM 0 H ALA B 73 20.547 -3.667 -8.748 1.00 0.00 H new ATOM 0 HA ALA B 73 21.126 -5.376 -6.580 1.00 0.00 H new ATOM 0 HB1 ALA B 73 22.827 -3.657 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA B 73 22.819 -4.069 -7.779 1.00 0.00 H new ATOM 0 HB3 ALA B 73 22.067 -2.556 -7.221 1.00 0.00 H new ATOM 1748 N HIS B 74 19.583 -2.568 -5.801 1.00 0.00 N ATOM 1749 CA HIS B 74 18.823 -1.906 -4.745 1.00 0.00 C ATOM 1750 C HIS B 74 17.645 -2.762 -4.299 1.00 0.00 C ATOM 1751 O HIS B 74 17.335 -2.830 -3.108 1.00 0.00 O ATOM 1752 CB HIS B 74 18.338 -0.533 -5.209 1.00 0.00 C ATOM 1753 CG HIS B 74 19.400 0.522 -5.155 1.00 0.00 C ATOM 1754 ND1 HIS B 74 20.404 0.649 -6.089 1.00 0.00 N ATOM 1755 CD2 HIS B 74 19.603 1.512 -4.251 1.00 0.00 C ATOM 1756 CE1 HIS B 74 21.170 1.687 -5.732 1.00 0.00 C ATOM 1757 NE2 HIS B 74 20.726 2.247 -4.622 1.00 0.00 N ATOM 0 H HIS B 74 19.625 -2.049 -6.678 1.00 0.00 H new ATOM 0 HA HIS B 74 19.486 -1.770 -3.891 1.00 0.00 H new ATOM 0 HB2 HIS B 74 17.967 -0.613 -6.231 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.497 -0.224 -4.588 1.00 0.00 H new ATOM 0 HD1 HIS B 74 20.540 0.057 -6.908 1.00 0.00 H new ATOM 0 HD2 HIS B 74 18.991 1.701 -3.381 1.00 0.00 H new ATOM 0 HE1 HIS B 74 22.038 2.023 -6.280 1.00 0.00 H new ATOM 1765 N LYS B 75 16.993 -3.418 -5.253 1.00 0.00 N ATOM 1766 CA LYS B 75 15.864 -4.286 -4.944 1.00 0.00 C ATOM 1767 C LYS B 75 16.327 -5.439 -4.065 1.00 0.00 C ATOM 1768 O LYS B 75 15.779 -5.680 -2.986 1.00 0.00 O ATOM 1769 CB LYS B 75 15.234 -4.838 -6.223 1.00 0.00 C ATOM 1770 CG LYS B 75 14.374 -3.834 -6.974 1.00 0.00 C ATOM 1771 CD LYS B 75 13.527 -4.515 -8.038 1.00 0.00 C ATOM 1772 CE LYS B 75 14.388 -5.222 -9.072 1.00 0.00 C ATOM 1773 NZ LYS B 75 13.584 -6.104 -9.957 1.00 0.00 N ATOM 0 H LYS B 75 17.227 -3.365 -6.244 1.00 0.00 H new ATOM 0 HA LYS B 75 15.114 -3.698 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS B 75 16.027 -5.188 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS B 75 14.624 -5.705 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS B 75 13.726 -3.310 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS B 75 15.012 -3.083 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS B 75 12.859 -5.236 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS B 75 12.898 -3.774 -8.532 1.00 0.00 H new ATOM 0 HE2 LYS B 75 14.910 -4.481 -9.677 1.00 0.00 H new ATOM 0 HE3 LYS B 75 15.150 -5.814 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 14.164 -6.406 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 13.272 -6.940 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 12.752 -5.584 -10.302 1.00 0.00 H new ATOM 1787 N ARG B 76 17.337 -6.151 -4.552 1.00 0.00 N ATOM 1788 CA ARG B 76 17.912 -7.276 -3.827 1.00 0.00 C ATOM 1789 C ARG B 76 18.354 -6.854 -2.426 1.00 0.00 C ATOM 1790 O ARG B 76 18.089 -7.558 -1.448 1.00 0.00 O ATOM 1791 CB ARG B 76 19.096 -7.861 -4.604 1.00 0.00 C ATOM 1792 CG ARG B 76 19.710 -9.091 -3.952 1.00 0.00 C ATOM 1793 CD ARG B 76 18.652 -10.128 -3.603 1.00 0.00 C ATOM 1794 NE ARG B 76 19.240 -11.330 -3.017 1.00 0.00 N ATOM 1795 CZ ARG B 76 18.999 -11.759 -1.778 1.00 0.00 C ATOM 1796 NH1 ARG B 76 18.218 -11.060 -0.961 1.00 0.00 N ATOM 1797 NH2 ARG B 76 19.561 -12.882 -1.353 1.00 0.00 N ATOM 0 H ARG B 76 17.777 -5.966 -5.453 1.00 0.00 H new ATOM 0 HA ARG B 76 17.144 -8.043 -3.725 1.00 0.00 H new ATOM 0 HB2 ARG B 76 18.766 -8.121 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG B 76 19.864 -7.095 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG B 76 20.444 -9.532 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG B 76 20.243 -8.796 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG B 76 17.937 -9.696 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG B 76 18.097 -10.397 -4.502 1.00 0.00 H new ATOM 0 HE ARG B 76 19.878 -11.878 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG B 76 17.797 -10.187 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG B 76 18.039 -11.396 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG B 76 20.174 -13.412 -1.973 1.00 0.00 H new ATOM 0 HH22 ARG B 76 19.381 -13.216 -0.406 1.00 0.00 H new ATOM 1811 N LEU B 77 19.022 -5.707 -2.339 1.00 0.00 N ATOM 1812 CA LEU B 77 19.495 -5.182 -1.062 1.00 0.00 C ATOM 1813 C LEU B 77 18.342 -4.973 -0.085 1.00 0.00 C ATOM 1814 O LEU B 77 18.420 -5.384 1.073 1.00 0.00 O ATOM 1815 CB LEU B 77 20.245 -3.861 -1.271 1.00 0.00 C ATOM 1816 CG LEU B 77 21.772 -3.937 -1.145 1.00 0.00 C ATOM 1817 CD1 LEU B 77 22.176 -4.416 0.242 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.357 -4.848 -2.216 1.00 0.00 C ATOM 0 H LEU B 77 19.249 -5.121 -3.142 1.00 0.00 H new ATOM 0 HA LEU B 77 20.176 -5.918 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU B 77 19.999 -3.477 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.875 -3.135 -0.547 1.00 0.00 H new ATOM 0 HG LEU B 77 22.174 -2.934 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU B 77 23.263 -4.462 0.309 1.00 0.00 H new ATOM 0 HD12 LEU B 77 21.796 -3.722 0.992 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.759 -5.407 0.420 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.441 -4.887 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU B 77 21.945 -5.851 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU B 77 22.105 -4.459 -3.202 1.00 0.00 H new ATOM 1830 N LEU B 78 17.271 -4.340 -0.554 1.00 0.00 N ATOM 1831 CA LEU B 78 16.110 -4.084 0.292 1.00 0.00 C ATOM 1832 C LEU B 78 15.502 -5.399 0.771 1.00 0.00 C ATOM 1833 O LEU B 78 15.249 -5.574 1.963 1.00 0.00 O ATOM 1834 CB LEU B 78 15.067 -3.252 -0.461 1.00 0.00 C ATOM 1835 CG LEU B 78 14.248 -2.295 0.413 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.851 -1.058 -0.376 1.00 0.00 C ATOM 1837 CD2 LEU B 78 13.011 -2.993 0.962 1.00 0.00 C ATOM 0 H LEU B 78 17.183 -3.996 -1.510 1.00 0.00 H new ATOM 0 HA LEU B 78 16.436 -3.516 1.163 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.574 -2.672 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.383 -3.930 -0.971 1.00 0.00 H new ATOM 0 HG LEU B 78 14.870 -1.985 1.253 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.270 -0.391 0.261 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.748 -0.542 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.250 -1.353 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.444 -2.296 1.579 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.389 -3.334 0.135 1.00 0.00 H new ATOM 0 HD23 LEU B 78 13.314 -3.849 1.565 1.00 0.00 H new ATOM 1849 N LEU B 79 15.279 -6.318 -0.165 1.00 0.00 N ATOM 1850 CA LEU B 79 14.715 -7.629 0.153 1.00 0.00 C ATOM 1851 C LEU B 79 15.539 -8.341 1.225 1.00 0.00 C ATOM 1852 O LEU B 79 14.989 -8.928 2.157 1.00 0.00 O ATOM 1853 CB LEU B 79 14.644 -8.496 -1.108 1.00 0.00 C ATOM 1854 CG LEU B 79 13.231 -8.866 -1.570 1.00 0.00 C ATOM 1855 CD1 LEU B 79 12.480 -7.632 -2.044 1.00 0.00 C ATOM 1856 CD2 LEU B 79 13.289 -9.913 -2.672 1.00 0.00 C ATOM 0 H LEU B 79 15.481 -6.179 -1.155 1.00 0.00 H new ATOM 0 HA LEU B 79 13.708 -7.474 0.541 1.00 0.00 H new ATOM 0 HB2 LEU B 79 15.148 -7.970 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU B 79 15.202 -9.415 -0.929 1.00 0.00 H new ATOM 0 HG LEU B 79 12.692 -9.287 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.479 -7.917 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU B 79 12.406 -6.915 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU B 79 13.015 -7.178 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU B 79 12.277 -10.164 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU B 79 13.847 -9.517 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU B 79 13.785 -10.808 -2.297 1.00 0.00 H new ATOM 1868 N ASP B 80 16.859 -8.273 1.093 1.00 0.00 N ATOM 1869 CA ASP B 80 17.761 -8.910 2.047 1.00 0.00 C ATOM 1870 C ASP B 80 17.654 -8.248 3.417 1.00 0.00 C ATOM 1871 O ASP B 80 17.621 -8.923 4.449 1.00 0.00 O ATOM 1872 CB ASP B 80 19.204 -8.840 1.542 1.00 0.00 C ATOM 1873 CG ASP B 80 20.186 -9.506 2.487 1.00 0.00 C ATOM 1874 OD1 ASP B 80 19.930 -10.652 2.910 1.00 0.00 O ATOM 1875 OD2 ASP B 80 21.225 -8.893 2.800 1.00 0.00 O ATOM 0 H ASP B 80 17.330 -7.782 0.333 1.00 0.00 H new ATOM 0 HA ASP B 80 17.470 -9.956 2.145 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.266 -9.317 0.564 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.487 -7.796 1.406 1.00 0.00 H new ATOM 1880 N THR B 81 17.573 -6.925 3.419 1.00 0.00 N ATOM 1881 CA THR B 81 17.473 -6.165 4.655 1.00 0.00 C ATOM 1882 C THR B 81 16.169 -6.468 5.393 1.00 0.00 C ATOM 1883 O THR B 81 16.138 -6.467 6.627 1.00 0.00 O ATOM 1884 CB THR B 81 17.582 -4.652 4.388 1.00 0.00 C ATOM 1885 OG1 THR B 81 18.700 -4.401 3.531 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.757 -3.874 5.684 1.00 0.00 C ATOM 0 H THR B 81 17.575 -6.354 2.574 1.00 0.00 H new ATOM 0 HA THR B 81 18.307 -6.471 5.287 1.00 0.00 H new ATOM 0 HB THR B 81 16.659 -4.321 3.912 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.463 -4.631 2.608 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.831 -2.809 5.462 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.899 -4.051 6.333 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.666 -4.204 6.186 1.00 0.00 H new ATOM 1894 N LEU B 82 15.094 -6.717 4.640 1.00 0.00 N ATOM 1895 CA LEU B 82 13.795 -7.037 5.229 1.00 0.00 C ATOM 1896 C LEU B 82 13.909 -8.205 6.201 1.00 0.00 C ATOM 1897 O LEU B 82 13.405 -8.143 7.317 1.00 0.00 O ATOM 1898 CB LEU B 82 12.772 -7.376 4.139 1.00 0.00 C ATOM 1899 CG LEU B 82 12.324 -6.200 3.268 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.525 -6.701 2.076 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.496 -5.214 4.079 1.00 0.00 C ATOM 0 H LEU B 82 15.100 -6.703 3.620 1.00 0.00 H new ATOM 0 HA LEU B 82 13.456 -6.156 5.774 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.197 -8.144 3.492 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.892 -7.810 4.613 1.00 0.00 H new ATOM 0 HG LEU B 82 13.213 -5.685 2.904 1.00 0.00 H new ATOM 0 HD11 LEU B 82 11.213 -5.854 1.465 1.00 0.00 H new ATOM 0 HD12 LEU B 82 12.144 -7.371 1.479 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.644 -7.238 2.428 1.00 0.00 H new ATOM 0 HD21 LEU B 82 11.188 -4.386 3.441 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.613 -5.717 4.472 1.00 0.00 H new ATOM 0 HD23 LEU B 82 12.093 -4.831 4.906 1.00 0.00 H new ATOM 1913 N GLN B 83 14.575 -9.263 5.770 1.00 0.00 N ATOM 1914 CA GLN B 83 14.752 -10.438 6.612 1.00 0.00 C ATOM 1915 C GLN B 83 15.776 -10.169 7.707 1.00 0.00 C ATOM 1916 O GLN B 83 15.564 -10.514 8.869 1.00 0.00 O ATOM 1917 CB GLN B 83 15.190 -11.634 5.768 1.00 0.00 C ATOM 1918 CG GLN B 83 14.262 -11.928 4.600 1.00 0.00 C ATOM 1919 CD GLN B 83 14.705 -13.127 3.787 1.00 0.00 C ATOM 1920 OE1 GLN B 83 15.897 -13.425 3.691 1.00 0.00 O ATOM 1921 NE2 GLN B 83 13.748 -13.821 3.193 1.00 0.00 N ATOM 0 H GLN B 83 15.001 -9.334 4.846 1.00 0.00 H new ATOM 0 HA GLN B 83 13.796 -10.667 7.082 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.194 -11.450 5.386 1.00 0.00 H new ATOM 0 HB3 GLN B 83 15.248 -12.516 6.406 1.00 0.00 H new ATOM 0 HG2 GLN B 83 13.254 -12.103 4.977 1.00 0.00 H new ATOM 0 HG3 GLN B 83 14.213 -11.053 3.952 1.00 0.00 H new ATOM 0 HE21 GLN B 83 12.773 -13.540 3.299 1.00 0.00 H new ATOM 0 HE22 GLN B 83 13.985 -14.637 2.629 1.00 0.00 H new ATOM 1930 N LEU B 84 16.892 -9.567 7.316 1.00 0.00 N ATOM 1931 CA LEU B 84 17.982 -9.239 8.233 1.00 0.00 C ATOM 1932 C LEU B 84 17.541 -8.406 9.442 1.00 0.00 C ATOM 1933 O LEU B 84 17.880 -8.736 10.581 1.00 0.00 O ATOM 1934 CB LEU B 84 19.063 -8.478 7.462 1.00 0.00 C ATOM 1935 CG LEU B 84 20.388 -8.281 8.197 1.00 0.00 C ATOM 1936 CD1 LEU B 84 21.245 -9.533 8.092 1.00 0.00 C ATOM 1937 CD2 LEU B 84 21.126 -7.076 7.635 1.00 0.00 C ATOM 0 H LEU B 84 17.070 -9.290 6.350 1.00 0.00 H new ATOM 0 HA LEU B 84 18.360 -10.182 8.629 1.00 0.00 H new ATOM 0 HB2 LEU B 84 19.261 -9.009 6.531 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.669 -7.498 7.193 1.00 0.00 H new ATOM 0 HG LEU B 84 20.180 -8.098 9.251 1.00 0.00 H new ATOM 0 HD11 LEU B 84 22.185 -9.376 8.621 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.715 -10.375 8.537 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.450 -9.747 7.043 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.069 -6.946 8.167 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.326 -7.234 6.575 1.00 0.00 H new ATOM 0 HD23 LEU B 84 20.513 -6.183 7.760 1.00 0.00 H new