USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1010 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 GLN : amide:sc= -4.58 K(o=-14,f=-23!) USER MOD Set 1.2: A 104 GLN : amide:sc= -9.4! C(o=-14!,f=-19!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.2: A 64 THR OG1 : rot -75:sc= 1.18 USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.0884 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 160:sc= -0.922 USER MOD Single : A 13 ASN : amide:sc= -0.0688 X(o=-0.069,f=0) USER MOD Single : A 14 ASN : amide:sc=-0.00273 K(o=-0.0027,f=-0.77) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= -0.0306 (180deg=-2.01!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= -1.29 (180deg=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.997 USER MOD Single : A 37 SER OG : rot -1:sc= 0.852 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.105 F(o=-0.96,f=-0.11) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 44 SER OG : rot -48:sc= 0.488 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -132:sc= -3.93 (180deg=-7.23!) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 1.29 (180deg=1.14) USER MOD Single : A 57 HIS :FLIP no HE2:sc= -0.0193 F(o=-0.54,f=-0.019) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -5.18 X(o=-5.2,f=-5.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 98 ASN :FLIP amide:sc= 0.285 F(o=-0.58,f=0.28) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.0566 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 91:sc= 0.728 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0528) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.458 4.232 -16.585 1.00 0.00 N ATOM 2 CA SER A 1 7.364 4.204 -15.579 1.00 0.00 C ATOM 3 C SER A 1 7.905 4.404 -14.168 1.00 0.00 C ATOM 4 O SER A 1 9.099 4.641 -13.979 1.00 0.00 O ATOM 5 CB SER A 1 6.642 2.858 -15.681 1.00 0.00 C ATOM 6 OG SER A 1 5.979 2.728 -16.927 1.00 0.00 O ATOM 0 H1 SER A 1 8.263 4.972 -17.289 1.00 0.00 H new ATOM 0 H2 SER A 1 9.361 4.434 -16.110 1.00 0.00 H new ATOM 0 H3 SER A 1 8.516 3.309 -17.061 1.00 0.00 H new ATOM 0 HA SER A 1 6.671 5.020 -15.783 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.360 2.047 -15.561 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.920 2.767 -14.870 1.00 0.00 H new ATOM 0 HG SER A 1 5.527 1.859 -16.968 1.00 0.00 H new ATOM 14 N ARG A 2 7.022 4.310 -13.181 1.00 0.00 N ATOM 15 CA ARG A 2 7.411 4.482 -11.786 1.00 0.00 C ATOM 16 C ARG A 2 6.972 3.284 -10.948 1.00 0.00 C ATOM 17 O ARG A 2 6.479 2.292 -11.483 1.00 0.00 O ATOM 18 CB ARG A 2 6.810 5.774 -11.224 1.00 0.00 C ATOM 19 CG ARG A 2 5.328 5.942 -11.522 1.00 0.00 C ATOM 20 CD ARG A 2 5.096 6.479 -12.926 1.00 0.00 C ATOM 21 NE ARG A 2 4.726 7.892 -12.915 1.00 0.00 N ATOM 22 CZ ARG A 2 4.128 8.509 -13.932 1.00 0.00 C ATOM 23 NH1 ARG A 2 3.829 7.842 -15.040 1.00 0.00 N ATOM 24 NH2 ARG A 2 3.827 9.798 -13.840 1.00 0.00 N ATOM 0 H ARG A 2 6.031 4.115 -13.321 1.00 0.00 H new ATOM 0 HA ARG A 2 8.498 4.550 -11.739 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.958 5.793 -10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.353 6.625 -11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.823 4.982 -11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.885 6.622 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.000 6.345 -13.520 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.308 5.901 -13.410 1.00 0.00 H new ATOM 0 HE ARG A 2 4.938 8.438 -12.080 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.057 6.851 -15.116 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.371 8.321 -15.815 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.054 10.315 -12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.369 10.272 -14.619 1.00 0.00 H new ATOM 38 N LEU A 3 7.159 3.382 -9.633 1.00 0.00 N ATOM 39 CA LEU A 3 6.787 2.304 -8.719 1.00 0.00 C ATOM 40 C LEU A 3 5.351 1.848 -8.953 1.00 0.00 C ATOM 41 O LEU A 3 4.417 2.384 -8.360 1.00 0.00 O ATOM 42 CB LEU A 3 6.942 2.764 -7.270 1.00 0.00 C ATOM 43 CG LEU A 3 6.903 1.649 -6.227 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.082 0.705 -6.411 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.895 2.238 -4.823 1.00 0.00 C ATOM 0 H LEU A 3 7.566 4.198 -9.176 1.00 0.00 H new ATOM 0 HA LEU A 3 7.453 1.463 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.888 3.297 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.150 3.478 -7.045 1.00 0.00 H new ATOM 0 HG LEU A 3 5.986 1.076 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.038 -0.083 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.041 0.261 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.013 1.260 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.867 1.432 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.796 2.833 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.017 2.871 -4.699 1.00 0.00 H new ATOM 57 N GLU A 4 5.183 0.855 -9.815 1.00 0.00 N ATOM 58 CA GLU A 4 3.860 0.331 -10.118 1.00 0.00 C ATOM 59 C GLU A 4 3.855 -1.191 -10.072 1.00 0.00 C ATOM 60 O GLU A 4 4.908 -1.829 -10.062 1.00 0.00 O ATOM 61 CB GLU A 4 3.404 0.812 -11.496 1.00 0.00 C ATOM 62 CG GLU A 4 4.311 0.356 -12.628 1.00 0.00 C ATOM 63 CD GLU A 4 4.206 1.244 -13.853 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.986 2.463 -13.686 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.344 0.722 -14.978 1.00 0.00 O ATOM 0 H GLU A 4 5.945 0.397 -10.316 1.00 0.00 H new ATOM 0 HA GLU A 4 3.167 0.701 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.393 0.450 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.357 1.901 -11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.344 0.345 -12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.056 -0.668 -12.903 1.00 0.00 H new ATOM 72 N GLY A 5 2.661 -1.766 -10.044 1.00 0.00 N ATOM 73 CA GLY A 5 2.530 -3.208 -9.998 1.00 0.00 C ATOM 74 C GLY A 5 1.260 -3.636 -9.294 1.00 0.00 C ATOM 75 O GLY A 5 0.293 -2.876 -9.237 1.00 0.00 O ATOM 0 H GLY A 5 1.777 -1.257 -10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.534 -3.606 -11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.392 -3.635 -9.485 1.00 0.00 H new ATOM 79 N TRP A 6 1.258 -4.846 -8.751 1.00 0.00 N ATOM 80 CA TRP A 6 0.087 -5.350 -8.047 1.00 0.00 C ATOM 81 C TRP A 6 0.409 -5.654 -6.594 1.00 0.00 C ATOM 82 O TRP A 6 1.316 -6.433 -6.296 1.00 0.00 O ATOM 83 CB TRP A 6 -0.454 -6.604 -8.723 1.00 0.00 C ATOM 84 CG TRP A 6 -0.671 -6.422 -10.185 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.287 -6.422 -11.145 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.917 -6.204 -10.853 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.278 -6.207 -12.375 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.633 -6.076 -12.224 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.244 -6.106 -10.426 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.628 -5.854 -13.173 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.231 -5.887 -11.368 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.919 -5.765 -12.728 1.00 0.00 C ATOM 0 H TRP A 6 2.047 -5.492 -8.784 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.674 -4.571 -8.081 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.243 -7.427 -8.563 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.396 -6.888 -8.253 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.342 -6.570 -10.966 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.228 -6.153 -13.259 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.493 -6.200 -9.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.389 -5.756 -14.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.260 -5.809 -11.050 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.714 -5.597 -13.440 1.00 0.00 H new ATOM 103 N LEU A 7 -0.356 -5.059 -5.693 1.00 0.00 N ATOM 104 CA LEU A 7 -0.176 -5.285 -4.270 1.00 0.00 C ATOM 105 C LEU A 7 -1.458 -5.857 -3.698 1.00 0.00 C ATOM 106 O LEU A 7 -2.541 -5.588 -4.209 1.00 0.00 O ATOM 107 CB LEU A 7 0.208 -3.998 -3.553 1.00 0.00 C ATOM 108 CG LEU A 7 1.570 -3.427 -3.948 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.640 -1.948 -3.622 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.688 -4.182 -3.243 1.00 0.00 C ATOM 0 H LEU A 7 -1.111 -4.413 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 7 0.639 -5.993 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.557 -3.247 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.204 -4.182 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 7 1.697 -3.549 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.616 -1.558 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.861 -1.417 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.493 -1.804 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.651 -3.763 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.565 -4.090 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.650 -5.234 -3.524 1.00 0.00 H new ATOM 122 N SER A 8 -1.335 -6.666 -2.664 1.00 0.00 N ATOM 123 CA SER A 8 -2.501 -7.308 -2.072 1.00 0.00 C ATOM 124 C SER A 8 -3.119 -6.472 -0.960 1.00 0.00 C ATOM 125 O SER A 8 -2.420 -5.855 -0.158 1.00 0.00 O ATOM 126 CB SER A 8 -2.125 -8.691 -1.539 1.00 0.00 C ATOM 127 OG SER A 8 -2.549 -9.712 -2.427 1.00 0.00 O ATOM 0 H SER A 8 -0.448 -6.896 -2.216 1.00 0.00 H new ATOM 0 HA SER A 8 -3.249 -7.408 -2.858 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.045 -8.750 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.580 -8.843 -0.560 1.00 0.00 H new ATOM 0 HG SER A 8 -2.040 -10.531 -2.251 1.00 0.00 H new ATOM 133 N LEU A 9 -4.447 -6.474 -0.923 1.00 0.00 N ATOM 134 CA LEU A 9 -5.198 -5.735 0.080 1.00 0.00 C ATOM 135 C LEU A 9 -6.207 -6.651 0.764 1.00 0.00 C ATOM 136 O LEU A 9 -6.437 -7.775 0.317 1.00 0.00 O ATOM 137 CB LEU A 9 -5.924 -4.550 -0.560 1.00 0.00 C ATOM 138 CG LEU A 9 -5.046 -3.634 -1.418 1.00 0.00 C ATOM 139 CD1 LEU A 9 -5.543 -3.606 -2.855 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.015 -2.227 -0.835 1.00 0.00 C ATOM 0 H LEU A 9 -5.029 -6.986 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.497 -5.357 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.736 -4.933 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.380 -3.954 0.230 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.031 -4.031 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.906 -2.950 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.512 -4.613 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.568 -3.235 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.387 -1.589 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.027 -1.823 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.609 -2.261 0.176 1.00 0.00 H new ATOM 152 N PRO A 10 -6.823 -6.188 1.861 1.00 0.00 N ATOM 153 CA PRO A 10 -7.807 -6.976 2.604 1.00 0.00 C ATOM 154 C PRO A 10 -9.066 -7.250 1.785 1.00 0.00 C ATOM 155 O PRO A 10 -10.047 -6.511 1.868 1.00 0.00 O ATOM 156 CB PRO A 10 -8.144 -6.103 3.822 1.00 0.00 C ATOM 157 CG PRO A 10 -7.083 -5.052 3.871 1.00 0.00 C ATOM 158 CD PRO A 10 -6.607 -4.866 2.462 1.00 0.00 C ATOM 0 HA PRO A 10 -7.414 -7.957 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.133 -5.656 3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.152 -6.694 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.478 -4.119 4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.263 -5.358 4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.172 -4.091 1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.558 -4.573 2.426 1.00 0.00 H new ATOM 166 N VAL A 11 -9.031 -8.320 0.998 1.00 0.00 N ATOM 167 CA VAL A 11 -10.170 -8.695 0.168 1.00 0.00 C ATOM 168 C VAL A 11 -11.285 -9.291 1.022 1.00 0.00 C ATOM 169 O VAL A 11 -11.096 -9.543 2.209 1.00 0.00 O ATOM 170 CB VAL A 11 -9.753 -9.700 -0.931 1.00 0.00 C ATOM 171 CG1 VAL A 11 -9.596 -11.106 -0.366 1.00 0.00 C ATOM 172 CG2 VAL A 11 -10.750 -9.687 -2.080 1.00 0.00 C ATOM 0 H VAL A 11 -8.227 -8.942 0.917 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.539 -7.790 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.782 -9.388 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.302 -11.788 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.830 -11.103 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.543 -11.434 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.437 -10.401 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.737 -9.962 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.791 -8.688 -2.515 1.00 0.00 H new ATOM 182 N ARG A 12 -12.445 -9.515 0.414 1.00 0.00 N ATOM 183 CA ARG A 12 -13.579 -10.085 1.129 1.00 0.00 C ATOM 184 C ARG A 12 -14.204 -11.225 0.332 1.00 0.00 C ATOM 185 O ARG A 12 -15.129 -11.016 -0.452 1.00 0.00 O ATOM 186 CB ARG A 12 -14.628 -9.008 1.412 1.00 0.00 C ATOM 187 CG ARG A 12 -14.294 -8.136 2.611 1.00 0.00 C ATOM 188 CD ARG A 12 -14.305 -6.657 2.252 1.00 0.00 C ATOM 189 NE ARG A 12 -15.047 -5.863 3.228 1.00 0.00 N ATOM 190 CZ ARG A 12 -14.673 -5.710 4.497 1.00 0.00 C ATOM 191 NH1 ARG A 12 -13.571 -6.296 4.948 1.00 0.00 N ATOM 192 NH2 ARG A 12 -15.406 -4.969 5.318 1.00 0.00 N ATOM 0 H ARG A 12 -12.624 -9.311 -0.569 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.216 -10.483 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.734 -8.375 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.593 -9.487 1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.014 -8.322 3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.312 -8.409 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.280 -6.291 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.749 -6.527 1.265 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.901 -5.399 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.005 -6.868 4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.290 -6.175 5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.255 -4.517 4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.121 -4.851 6.290 1.00 0.00 H new ATOM 206 N ASN A 13 -13.686 -12.432 0.539 1.00 0.00 N ATOM 207 CA ASN A 13 -14.185 -13.613 -0.158 1.00 0.00 C ATOM 208 C ASN A 13 -15.691 -13.772 0.038 1.00 0.00 C ATOM 209 O ASN A 13 -16.478 -13.488 -0.865 1.00 0.00 O ATOM 210 CB ASN A 13 -13.460 -14.865 0.336 1.00 0.00 C ATOM 211 CG ASN A 13 -12.059 -14.983 -0.231 1.00 0.00 C ATOM 212 OD1 ASN A 13 -11.828 -15.702 -1.203 1.00 0.00 O ATOM 213 ND2 ASN A 13 -11.113 -14.274 0.377 1.00 0.00 N ATOM 0 H ASN A 13 -12.919 -12.618 1.185 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.990 -13.483 -1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.408 -14.846 1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.036 -15.748 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.151 -14.313 0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.349 -13.691 1.180 1.00 0.00 H new ATOM 220 N ASN A 14 -16.085 -14.228 1.223 1.00 0.00 N ATOM 221 CA ASN A 14 -17.496 -14.426 1.534 1.00 0.00 C ATOM 222 C ASN A 14 -18.158 -13.105 1.921 1.00 0.00 C ATOM 223 O ASN A 14 -18.824 -12.472 1.102 1.00 0.00 O ATOM 224 CB ASN A 14 -17.654 -15.446 2.663 1.00 0.00 C ATOM 225 CG ASN A 14 -17.240 -16.843 2.244 1.00 0.00 C ATOM 226 OD1 ASN A 14 -17.441 -17.244 1.097 1.00 0.00 O ATOM 227 ND2 ASN A 14 -16.659 -17.591 3.173 1.00 0.00 N ATOM 0 H ASN A 14 -15.448 -14.467 1.983 1.00 0.00 H new ATOM 0 HA ASN A 14 -17.990 -14.809 0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -17.054 -15.133 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.693 -15.462 2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.359 -18.540 2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -16.513 -17.217 4.111 1.00 0.00 H new ATOM 234 N THR A 15 -17.972 -12.696 3.173 1.00 0.00 N ATOM 235 CA THR A 15 -18.552 -11.452 3.665 1.00 0.00 C ATOM 236 C THR A 15 -17.780 -10.935 4.874 1.00 0.00 C ATOM 237 O THR A 15 -17.366 -9.777 4.911 1.00 0.00 O ATOM 238 CB THR A 15 -20.021 -11.660 4.038 1.00 0.00 C ATOM 239 OG1 THR A 15 -20.139 -12.539 5.141 1.00 0.00 O ATOM 240 CG2 THR A 15 -20.851 -12.228 2.907 1.00 0.00 C ATOM 0 H THR A 15 -17.424 -13.208 3.864 1.00 0.00 H new ATOM 0 HA THR A 15 -18.488 -10.711 2.868 1.00 0.00 H new ATOM 0 HB THR A 15 -20.400 -10.668 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 15 -21.086 -12.658 5.365 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.882 -12.351 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 15 -20.822 -11.547 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 15 -20.448 -13.196 2.610 1.00 0.00 H new ATOM 248 N LYS A 16 -17.590 -11.804 5.862 1.00 0.00 N ATOM 249 CA LYS A 16 -16.867 -11.438 7.074 1.00 0.00 C ATOM 250 C LYS A 16 -15.378 -11.737 6.933 1.00 0.00 C ATOM 251 O LYS A 16 -14.536 -10.988 7.425 1.00 0.00 O ATOM 252 CB LYS A 16 -17.437 -12.189 8.279 1.00 0.00 C ATOM 253 CG LYS A 16 -17.249 -11.455 9.597 1.00 0.00 C ATOM 254 CD LYS A 16 -17.420 -12.391 10.784 1.00 0.00 C ATOM 255 CE LYS A 16 -18.862 -12.852 10.927 1.00 0.00 C ATOM 256 NZ LYS A 16 -19.167 -13.304 12.311 1.00 0.00 N ATOM 0 H LYS A 16 -17.927 -12.767 5.847 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.990 -10.366 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.501 -12.363 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.960 -13.167 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.256 -11.006 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.970 -10.640 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.770 -13.258 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.107 -11.884 11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.532 -12.036 10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.053 -13.667 10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.160 -13.610 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.545 -14.099 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.010 -12.519 12.975 1.00 0.00 H new ATOM 270 N LYS A 17 -15.062 -12.836 6.256 1.00 0.00 N ATOM 271 CA LYS A 17 -13.674 -13.233 6.050 1.00 0.00 C ATOM 272 C LYS A 17 -12.934 -12.197 5.209 1.00 0.00 C ATOM 273 O LYS A 17 -13.510 -11.189 4.800 1.00 0.00 O ATOM 274 CB LYS A 17 -13.609 -14.605 5.374 1.00 0.00 C ATOM 275 CG LYS A 17 -12.741 -15.608 6.118 1.00 0.00 C ATOM 276 CD LYS A 17 -11.720 -16.259 5.198 1.00 0.00 C ATOM 277 CE LYS A 17 -10.366 -16.395 5.876 1.00 0.00 C ATOM 278 NZ LYS A 17 -9.268 -16.585 4.889 1.00 0.00 N ATOM 0 H LYS A 17 -15.748 -13.467 5.841 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.189 -13.296 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.619 -15.006 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.224 -14.484 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.225 -15.106 6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.373 -16.377 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.077 -17.243 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.616 -15.665 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.168 -15.505 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.387 -17.241 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.361 -16.674 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.444 -17.448 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.231 -15.766 4.249 1.00 0.00 H new ATOM 292 N PHE A 18 -11.654 -12.452 4.954 1.00 0.00 N ATOM 293 CA PHE A 18 -10.837 -11.540 4.162 1.00 0.00 C ATOM 294 C PHE A 18 -9.438 -12.104 3.947 1.00 0.00 C ATOM 295 O PHE A 18 -8.734 -12.437 4.900 1.00 0.00 O ATOM 296 CB PHE A 18 -10.751 -10.173 4.843 1.00 0.00 C ATOM 297 CG PHE A 18 -10.566 -10.250 6.333 1.00 0.00 C ATOM 298 CD1 PHE A 18 -9.308 -10.437 6.880 1.00 0.00 C ATOM 299 CD2 PHE A 18 -11.653 -10.137 7.184 1.00 0.00 C ATOM 300 CE1 PHE A 18 -9.136 -10.509 8.250 1.00 0.00 C ATOM 301 CE2 PHE A 18 -11.489 -10.207 8.554 1.00 0.00 C ATOM 302 CZ PHE A 18 -10.229 -10.394 9.088 1.00 0.00 C ATOM 0 H PHE A 18 -11.161 -13.282 5.284 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.313 -11.423 3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.921 -9.614 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.660 -9.612 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.451 -10.528 6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.641 -9.992 6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.149 -10.655 8.664 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.345 -10.116 9.206 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.098 -10.450 10.159 1.00 0.00 H new ATOM 312 N GLY A 19 -9.042 -12.203 2.683 1.00 0.00 N ATOM 313 CA GLY A 19 -7.728 -12.723 2.350 1.00 0.00 C ATOM 314 C GLY A 19 -6.833 -11.670 1.727 1.00 0.00 C ATOM 315 O GLY A 19 -6.480 -10.684 2.377 1.00 0.00 O ATOM 0 H GLY A 19 -9.609 -11.931 1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.255 -13.112 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.835 -13.560 1.660 1.00 0.00 H new ATOM 319 N TRP A 20 -6.469 -11.873 0.466 1.00 0.00 N ATOM 320 CA TRP A 20 -5.613 -10.927 -0.241 1.00 0.00 C ATOM 321 C TRP A 20 -5.978 -10.848 -1.718 1.00 0.00 C ATOM 322 O TRP A 20 -6.283 -11.859 -2.352 1.00 0.00 O ATOM 323 CB TRP A 20 -4.141 -11.317 -0.101 1.00 0.00 C ATOM 324 CG TRP A 20 -3.668 -11.370 1.319 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.208 -12.464 1.993 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.602 -10.274 2.241 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.860 -12.117 3.277 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.095 -10.779 3.453 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.925 -8.916 2.157 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.902 -9.972 4.571 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.733 -8.118 3.269 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.224 -8.647 4.461 1.00 0.00 C ATOM 0 H TRP A 20 -6.752 -12.682 -0.087 1.00 0.00 H new ATOM 0 HA TRP A 20 -5.770 -9.948 0.211 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.986 -12.292 -0.563 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.530 -10.602 -0.652 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.129 -13.458 1.578 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.488 -12.752 3.983 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.317 -8.499 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.512 -10.378 5.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.980 -7.068 3.217 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.083 -7.996 5.311 1.00 0.00 H new ATOM 343 N VAL A 21 -5.928 -9.638 -2.259 1.00 0.00 N ATOM 344 CA VAL A 21 -6.234 -9.406 -3.664 1.00 0.00 C ATOM 345 C VAL A 21 -5.301 -8.344 -4.229 1.00 0.00 C ATOM 346 O VAL A 21 -5.362 -7.182 -3.826 1.00 0.00 O ATOM 347 CB VAL A 21 -7.696 -8.958 -3.857 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.966 -7.666 -3.099 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.018 -8.796 -5.336 1.00 0.00 C ATOM 0 H VAL A 21 -5.676 -8.796 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.091 -10.347 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.348 -9.732 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.003 -7.367 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.783 -7.823 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.305 -6.882 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.055 -8.479 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.359 -8.045 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.871 -9.748 -5.847 1.00 0.00 H new ATOM 359 N LYS A 22 -4.419 -8.741 -5.143 1.00 0.00 N ATOM 360 CA LYS A 22 -3.473 -7.802 -5.714 1.00 0.00 C ATOM 361 C LYS A 22 -4.144 -6.830 -6.680 1.00 0.00 C ATOM 362 O LYS A 22 -4.609 -7.217 -7.751 1.00 0.00 O ATOM 363 CB LYS A 22 -2.339 -8.549 -6.415 1.00 0.00 C ATOM 364 CG LYS A 22 -2.753 -9.192 -7.724 1.00 0.00 C ATOM 365 CD LYS A 22 -1.660 -10.086 -8.268 1.00 0.00 C ATOM 366 CE LYS A 22 -1.295 -9.682 -9.682 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.716 -10.815 -10.455 1.00 0.00 N ATOM 0 H LYS A 22 -4.344 -9.695 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.061 -7.215 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.520 -7.855 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.955 -9.320 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.661 -9.775 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.989 -8.417 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.780 -10.024 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.992 -11.124 -8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.183 -9.311 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.579 -8.861 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.481 -10.495 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.146 -11.153 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.409 -11.589 -10.508 1.00 0.00 H new ATOM 381 N LYS A 23 -4.163 -5.559 -6.300 1.00 0.00 N ATOM 382 CA LYS A 23 -4.739 -4.517 -7.132 1.00 0.00 C ATOM 383 C LYS A 23 -3.615 -3.706 -7.756 1.00 0.00 C ATOM 384 O LYS A 23 -2.567 -3.515 -7.139 1.00 0.00 O ATOM 385 CB LYS A 23 -5.654 -3.610 -6.312 1.00 0.00 C ATOM 386 CG LYS A 23 -6.744 -4.360 -5.564 1.00 0.00 C ATOM 387 CD LYS A 23 -7.753 -4.974 -6.522 1.00 0.00 C ATOM 388 CE LYS A 23 -9.169 -4.874 -5.978 1.00 0.00 C ATOM 389 NZ LYS A 23 -9.961 -6.104 -6.257 1.00 0.00 N ATOM 0 H LYS A 23 -3.783 -5.226 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.341 -4.977 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.051 -3.052 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.117 -2.880 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.295 -5.144 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.254 -3.679 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.696 -4.468 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.502 -6.020 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.133 -4.702 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.668 -4.013 -6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.858 -5.843 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.420 -6.729 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.158 -6.600 -5.364 1.00 0.00 H new ATOM 403 N TYR A 24 -3.815 -3.247 -8.981 1.00 0.00 N ATOM 404 CA TYR A 24 -2.785 -2.480 -9.663 1.00 0.00 C ATOM 405 C TYR A 24 -2.535 -1.143 -8.980 1.00 0.00 C ATOM 406 O TYR A 24 -3.334 -0.214 -9.092 1.00 0.00 O ATOM 407 CB TYR A 24 -3.142 -2.262 -11.131 1.00 0.00 C ATOM 408 CG TYR A 24 -1.925 -2.199 -12.024 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.905 -3.132 -11.898 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.788 -1.201 -12.981 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.217 -3.076 -12.700 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.669 -1.140 -13.790 1.00 0.00 C ATOM 413 CZ TYR A 24 0.332 -2.079 -13.645 1.00 0.00 C ATOM 414 OH TYR A 24 1.448 -2.019 -14.446 1.00 0.00 O ATOM 0 H TYR A 24 -4.670 -3.390 -9.518 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.866 -3.063 -9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.792 -3.070 -11.466 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.708 -1.336 -11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.991 -3.915 -11.160 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.567 -0.462 -13.094 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.001 -3.810 -12.588 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.578 -0.361 -14.532 1.00 0.00 H new ATOM 0 HH TYR A 24 1.371 -1.258 -15.058 1.00 0.00 H new ATOM 424 N VAL A 25 -1.407 -1.056 -8.283 1.00 0.00 N ATOM 425 CA VAL A 25 -1.027 0.166 -7.587 1.00 0.00 C ATOM 426 C VAL A 25 0.113 0.861 -8.317 1.00 0.00 C ATOM 427 O VAL A 25 1.130 0.241 -8.628 1.00 0.00 O ATOM 428 CB VAL A 25 -0.590 -0.110 -6.136 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.528 1.186 -5.343 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.527 -1.107 -5.471 1.00 0.00 C ATOM 0 H VAL A 25 -0.739 -1.820 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.908 0.807 -7.569 1.00 0.00 H new ATOM 0 HB VAL A 25 0.408 -0.547 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.218 0.972 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.190 1.862 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.512 1.654 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.199 -1.287 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.540 -0.704 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.514 -2.045 -6.026 1.00 0.00 H new ATOM 440 N ILE A 26 -0.058 2.146 -8.588 1.00 0.00 N ATOM 441 CA ILE A 26 0.965 2.916 -9.281 1.00 0.00 C ATOM 442 C ILE A 26 1.268 4.208 -8.534 1.00 0.00 C ATOM 443 O ILE A 26 0.414 5.085 -8.418 1.00 0.00 O ATOM 444 CB ILE A 26 0.535 3.248 -10.725 1.00 0.00 C ATOM 445 CG1 ILE A 26 -0.104 2.023 -11.383 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.725 3.731 -11.541 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.600 2.284 -12.789 1.00 0.00 C ATOM 0 H ILE A 26 -0.893 2.677 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 26 1.864 2.301 -9.316 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.203 4.049 -10.690 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.624 1.212 -11.408 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.938 1.684 -10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.401 3.960 -12.556 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.141 4.628 -11.082 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.487 2.952 -11.570 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.041 1.373 -13.194 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.352 3.073 -12.769 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.235 2.594 -13.418 1.00 0.00 H new ATOM 459 N VAL A 27 2.492 4.317 -8.028 1.00 0.00 N ATOM 460 CA VAL A 27 2.907 5.502 -7.289 1.00 0.00 C ATOM 461 C VAL A 27 3.565 6.517 -8.213 1.00 0.00 C ATOM 462 O VAL A 27 4.712 6.343 -8.626 1.00 0.00 O ATOM 463 CB VAL A 27 3.893 5.144 -6.161 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.127 6.345 -5.256 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.383 3.956 -5.360 1.00 0.00 C ATOM 0 H VAL A 27 3.212 3.600 -8.116 1.00 0.00 H new ATOM 0 HA VAL A 27 2.007 5.935 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 27 4.845 4.865 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.826 6.074 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.542 7.166 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.181 6.657 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.094 3.719 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.417 4.202 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.272 3.094 -6.018 1.00 0.00 H new ATOM 475 N SER A 28 2.833 7.577 -8.536 1.00 0.00 N ATOM 476 CA SER A 28 3.346 8.620 -9.413 1.00 0.00 C ATOM 477 C SER A 28 4.435 9.433 -8.718 1.00 0.00 C ATOM 478 O SER A 28 4.657 9.293 -7.516 1.00 0.00 O ATOM 479 CB SER A 28 2.211 9.541 -9.864 1.00 0.00 C ATOM 480 OG SER A 28 2.627 10.381 -10.927 1.00 0.00 O ATOM 0 H SER A 28 1.882 7.736 -8.203 1.00 0.00 H new ATOM 0 HA SER A 28 3.783 8.140 -10.288 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.357 8.942 -10.182 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.878 10.150 -9.024 1.00 0.00 H new ATOM 0 HG SER A 28 1.883 10.958 -11.198 1.00 0.00 H new ATOM 486 N SER A 29 5.114 10.275 -9.489 1.00 0.00 N ATOM 487 CA SER A 29 6.189 11.112 -8.959 1.00 0.00 C ATOM 488 C SER A 29 5.769 11.831 -7.678 1.00 0.00 C ATOM 489 O SER A 29 6.569 11.990 -6.757 1.00 0.00 O ATOM 490 CB SER A 29 6.625 12.137 -10.008 1.00 0.00 C ATOM 491 OG SER A 29 5.746 13.248 -10.033 1.00 0.00 O ATOM 0 H SER A 29 4.940 10.398 -10.486 1.00 0.00 H new ATOM 0 HA SER A 29 7.026 10.457 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.638 12.476 -9.791 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.650 11.667 -10.991 1.00 0.00 H new ATOM 0 HG SER A 29 6.048 13.889 -10.710 1.00 0.00 H new ATOM 497 N LYS A 30 4.514 12.268 -7.625 1.00 0.00 N ATOM 498 CA LYS A 30 4.003 12.974 -6.454 1.00 0.00 C ATOM 499 C LYS A 30 2.513 12.709 -6.254 1.00 0.00 C ATOM 500 O LYS A 30 1.748 13.617 -5.929 1.00 0.00 O ATOM 501 CB LYS A 30 4.251 14.479 -6.594 1.00 0.00 C ATOM 502 CG LYS A 30 5.607 14.924 -6.073 1.00 0.00 C ATOM 503 CD LYS A 30 5.495 15.574 -4.704 1.00 0.00 C ATOM 504 CE LYS A 30 6.674 16.490 -4.424 1.00 0.00 C ATOM 505 NZ LYS A 30 6.917 16.656 -2.965 1.00 0.00 N ATOM 0 H LYS A 30 3.834 12.146 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 30 4.535 12.601 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.166 14.756 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.470 15.019 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.275 14.065 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.054 15.628 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.568 16.144 -4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.443 14.802 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.569 16.084 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.490 17.466 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.798 17.190 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.123 17.174 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.001 15.721 -2.518 1.00 0.00 H new ATOM 519 N LYS A 31 2.107 11.458 -6.443 1.00 0.00 N ATOM 520 CA LYS A 31 0.711 11.076 -6.275 1.00 0.00 C ATOM 521 C LYS A 31 0.539 9.568 -6.426 1.00 0.00 C ATOM 522 O LYS A 31 1.044 8.967 -7.372 1.00 0.00 O ATOM 523 CB LYS A 31 -0.166 11.805 -7.295 1.00 0.00 C ATOM 524 CG LYS A 31 -1.656 11.634 -7.048 1.00 0.00 C ATOM 525 CD LYS A 31 -2.472 12.627 -7.860 1.00 0.00 C ATOM 526 CE LYS A 31 -2.729 13.906 -7.080 1.00 0.00 C ATOM 527 NZ LYS A 31 -3.582 14.860 -7.842 1.00 0.00 N ATOM 0 H LYS A 31 2.725 10.692 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 31 0.400 11.361 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.077 12.867 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.073 11.440 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.955 10.618 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.868 11.768 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.945 12.863 -8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.423 12.174 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.212 13.663 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.778 14.382 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.734 15.719 -7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.110 15.112 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.499 14.416 -8.050 1.00 0.00 H new ATOM 541 N ILE A 32 -0.182 8.963 -5.489 1.00 0.00 N ATOM 542 CA ILE A 32 -0.423 7.525 -5.519 1.00 0.00 C ATOM 543 C ILE A 32 -1.744 7.211 -6.211 1.00 0.00 C ATOM 544 O ILE A 32 -2.786 7.757 -5.856 1.00 0.00 O ATOM 545 CB ILE A 32 -0.445 6.927 -4.098 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.702 7.496 -3.260 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.360 5.409 -4.160 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.719 6.988 -1.834 1.00 0.00 C ATOM 0 H ILE A 32 -0.610 9.446 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 32 0.397 7.076 -6.078 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.387 7.200 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.649 7.245 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.628 8.583 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.377 5.002 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.209 5.020 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.567 5.116 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.558 7.433 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.213 7.262 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.824 5.903 -1.835 1.00 0.00 H new ATOM 560 N LEU A 33 -1.695 6.330 -7.203 1.00 0.00 N ATOM 561 CA LEU A 33 -2.893 5.949 -7.944 1.00 0.00 C ATOM 562 C LEU A 33 -3.227 4.478 -7.725 1.00 0.00 C ATOM 563 O LEU A 33 -2.336 3.643 -7.562 1.00 0.00 O ATOM 564 CB LEU A 33 -2.706 6.225 -9.439 1.00 0.00 C ATOM 565 CG LEU A 33 -2.315 7.662 -9.800 1.00 0.00 C ATOM 566 CD1 LEU A 33 -3.116 8.664 -8.982 1.00 0.00 C ATOM 567 CD2 LEU A 33 -0.820 7.876 -9.603 1.00 0.00 C ATOM 0 H LEU A 33 -0.841 5.866 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.723 6.550 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.940 5.551 -9.822 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.634 5.979 -9.955 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.548 7.824 -10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.820 9.677 -9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.179 8.530 -9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.923 8.505 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.562 8.902 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.560 7.691 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.267 7.188 -10.243 1.00 0.00 H new ATOM 579 N PHE A 34 -4.518 4.168 -7.724 1.00 0.00 N ATOM 580 CA PHE A 34 -4.982 2.800 -7.527 1.00 0.00 C ATOM 581 C PHE A 34 -5.949 2.396 -8.632 1.00 0.00 C ATOM 582 O PHE A 34 -6.921 3.100 -8.910 1.00 0.00 O ATOM 583 CB PHE A 34 -5.658 2.659 -6.163 1.00 0.00 C ATOM 584 CG PHE A 34 -5.184 1.471 -5.376 1.00 0.00 C ATOM 585 CD1 PHE A 34 -4.000 1.527 -4.661 1.00 0.00 C ATOM 586 CD2 PHE A 34 -5.925 0.300 -5.353 1.00 0.00 C ATOM 587 CE1 PHE A 34 -3.561 0.436 -3.936 1.00 0.00 C ATOM 588 CE2 PHE A 34 -5.491 -0.795 -4.629 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.307 -0.726 -3.920 1.00 0.00 C ATOM 0 H PHE A 34 -5.265 4.849 -7.858 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.117 2.138 -7.563 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.478 3.564 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.736 2.582 -6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.413 2.434 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.851 0.242 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.635 0.492 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.076 -1.703 -4.618 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.965 -1.580 -3.354 1.00 0.00 H new ATOM 599 N TYR A 35 -5.673 1.260 -9.260 1.00 0.00 N ATOM 600 CA TYR A 35 -6.515 0.759 -10.341 1.00 0.00 C ATOM 601 C TYR A 35 -6.798 -0.730 -10.170 1.00 0.00 C ATOM 602 O TYR A 35 -6.310 -1.363 -9.233 1.00 0.00 O ATOM 603 CB TYR A 35 -5.845 1.001 -11.694 1.00 0.00 C ATOM 604 CG TYR A 35 -5.406 2.431 -11.912 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.178 2.880 -11.443 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.219 3.332 -12.588 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.771 4.185 -11.643 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.820 4.639 -12.792 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.596 5.061 -12.318 1.00 0.00 C ATOM 610 OH TYR A 35 -4.195 6.362 -12.517 1.00 0.00 O ATOM 0 H TYR A 35 -4.873 0.667 -9.040 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.461 1.300 -10.305 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.977 0.347 -11.781 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.537 0.719 -12.487 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.530 2.197 -10.913 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.179 3.005 -12.960 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.812 4.518 -11.273 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.464 5.327 -13.320 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.890 6.847 -13.010 1.00 0.00 H new ATOM 620 N ASP A 36 -7.585 -1.282 -11.086 1.00 0.00 N ATOM 621 CA ASP A 36 -7.931 -2.697 -11.048 1.00 0.00 C ATOM 622 C ASP A 36 -7.258 -3.450 -12.193 1.00 0.00 C ATOM 623 O ASP A 36 -7.005 -4.650 -12.095 1.00 0.00 O ATOM 624 CB ASP A 36 -9.449 -2.874 -11.127 1.00 0.00 C ATOM 625 CG ASP A 36 -9.937 -4.056 -10.315 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.412 -5.172 -10.516 1.00 0.00 O ATOM 627 OD2 ASP A 36 -10.844 -3.867 -9.478 1.00 0.00 O ATOM 0 H ASP A 36 -7.996 -0.769 -11.866 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.573 -3.110 -10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.937 -1.966 -10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.743 -3.006 -12.168 1.00 0.00 H new ATOM 632 N SER A 37 -6.971 -2.735 -13.278 1.00 0.00 N ATOM 633 CA SER A 37 -6.327 -3.332 -14.440 1.00 0.00 C ATOM 634 C SER A 37 -5.806 -2.255 -15.387 1.00 0.00 C ATOM 635 O SER A 37 -6.198 -1.092 -15.295 1.00 0.00 O ATOM 636 CB SER A 37 -7.305 -4.246 -15.179 1.00 0.00 C ATOM 637 OG SER A 37 -7.587 -5.412 -14.423 1.00 0.00 O ATOM 0 H SER A 37 -7.175 -1.740 -13.375 1.00 0.00 H new ATOM 0 HA SER A 37 -5.481 -3.924 -14.090 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.231 -3.706 -15.379 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.885 -4.528 -16.144 1.00 0.00 H new ATOM 0 HG SER A 37 -7.077 -5.391 -13.587 1.00 0.00 H new ATOM 643 N GLU A 38 -4.918 -2.650 -16.295 1.00 0.00 N ATOM 644 CA GLU A 38 -4.342 -1.718 -17.256 1.00 0.00 C ATOM 645 C GLU A 38 -5.431 -1.068 -18.104 1.00 0.00 C ATOM 646 O GLU A 38 -5.294 0.076 -18.538 1.00 0.00 O ATOM 647 CB GLU A 38 -3.337 -2.439 -18.157 1.00 0.00 C ATOM 648 CG GLU A 38 -1.899 -2.326 -17.677 1.00 0.00 C ATOM 649 CD GLU A 38 -1.284 -0.976 -17.992 1.00 0.00 C ATOM 650 OE1 GLU A 38 -1.593 -0.418 -19.065 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.493 -0.477 -17.164 1.00 0.00 O ATOM 0 H GLU A 38 -4.583 -3.609 -16.384 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.825 -0.935 -16.701 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.609 -3.493 -18.220 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.408 -2.031 -19.165 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.865 -2.495 -16.601 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.302 -3.111 -18.142 1.00 0.00 H new ATOM 658 N GLN A 39 -6.511 -1.806 -18.339 1.00 0.00 N ATOM 659 CA GLN A 39 -7.623 -1.301 -19.135 1.00 0.00 C ATOM 660 C GLN A 39 -8.274 -0.097 -18.461 1.00 0.00 C ATOM 661 O GLN A 39 -8.641 0.873 -19.124 1.00 0.00 O ATOM 662 CB GLN A 39 -8.664 -2.402 -19.351 1.00 0.00 C ATOM 663 CG GLN A 39 -8.103 -3.649 -20.015 1.00 0.00 C ATOM 664 CD GLN A 39 -8.660 -4.926 -19.418 1.00 0.00 C ATOM 665 OE1 GLN A 39 -8.605 -5.034 -18.096 1.00 0.00 O flip ATOM 666 NE2 GLN A 39 -9.135 -5.806 -20.137 1.00 0.00 N flip ATOM 0 H GLN A 39 -6.639 -2.756 -17.989 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.230 -0.985 -20.102 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.096 -2.676 -18.388 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.475 -2.008 -19.963 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.329 -3.622 -21.081 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.017 -3.650 -19.919 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.157 -5.681 -21.149 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.506 -6.660 -19.720 1.00 0.00 H new ATOM 675 N ASP A 40 -8.410 -0.167 -17.142 1.00 0.00 N ATOM 676 CA ASP A 40 -9.016 0.917 -16.377 1.00 0.00 C ATOM 677 C ASP A 40 -8.047 2.087 -16.229 1.00 0.00 C ATOM 678 O ASP A 40 -8.461 3.245 -16.169 1.00 0.00 O ATOM 679 CB ASP A 40 -9.447 0.415 -14.997 1.00 0.00 C ATOM 680 CG ASP A 40 -10.862 0.834 -14.646 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.755 0.687 -15.507 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.076 1.308 -13.511 1.00 0.00 O ATOM 0 H ASP A 40 -8.109 -0.963 -16.580 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.895 1.265 -16.919 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.376 -0.672 -14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.760 0.798 -14.243 1.00 0.00 H new ATOM 687 N LYS A 41 -6.756 1.776 -16.169 1.00 0.00 N ATOM 688 CA LYS A 41 -5.729 2.801 -16.028 1.00 0.00 C ATOM 689 C LYS A 41 -5.670 3.686 -17.269 1.00 0.00 C ATOM 690 O LYS A 41 -5.631 4.911 -17.167 1.00 0.00 O ATOM 691 CB LYS A 41 -4.364 2.155 -15.784 1.00 0.00 C ATOM 692 CG LYS A 41 -3.467 2.961 -14.857 1.00 0.00 C ATOM 693 CD LYS A 41 -2.831 4.135 -15.581 1.00 0.00 C ATOM 694 CE LYS A 41 -2.218 5.126 -14.605 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.053 5.840 -15.196 1.00 0.00 N ATOM 0 H LYS A 41 -6.397 0.823 -16.216 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.988 3.423 -15.171 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.512 1.162 -15.360 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.858 2.022 -16.740 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.050 3.326 -14.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.687 2.316 -14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.062 3.770 -16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.582 4.639 -16.189 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.973 5.852 -14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.902 4.600 -13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.664 6.506 -14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.321 5.150 -15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.359 6.363 -16.041 1.00 0.00 H new ATOM 709 N GLU A 42 -5.662 3.056 -18.439 1.00 0.00 N ATOM 710 CA GLU A 42 -5.608 3.786 -19.700 1.00 0.00 C ATOM 711 C GLU A 42 -6.849 4.655 -19.883 1.00 0.00 C ATOM 712 O GLU A 42 -6.816 5.659 -20.596 1.00 0.00 O ATOM 713 CB GLU A 42 -5.476 2.812 -20.872 1.00 0.00 C ATOM 714 CG GLU A 42 -4.083 2.216 -21.013 1.00 0.00 C ATOM 715 CD GLU A 42 -3.332 2.764 -22.211 1.00 0.00 C ATOM 716 OE1 GLU A 42 -3.703 3.852 -22.698 1.00 0.00 O ATOM 717 OE2 GLU A 42 -2.372 2.103 -22.661 1.00 0.00 O ATOM 0 H GLU A 42 -5.692 2.041 -18.540 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.733 4.436 -19.676 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.197 2.004 -20.746 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.736 3.330 -21.795 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.512 2.419 -20.107 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.163 1.133 -21.104 1.00 0.00 H new ATOM 724 N GLN A 43 -7.943 4.266 -19.237 1.00 0.00 N ATOM 725 CA GLN A 43 -9.194 5.011 -19.331 1.00 0.00 C ATOM 726 C GLN A 43 -9.195 6.222 -18.397 1.00 0.00 C ATOM 727 O GLN A 43 -10.170 6.972 -18.345 1.00 0.00 O ATOM 728 CB GLN A 43 -10.378 4.100 -19.001 1.00 0.00 C ATOM 729 CG GLN A 43 -10.893 3.317 -20.198 1.00 0.00 C ATOM 730 CD GLN A 43 -11.902 4.098 -21.016 1.00 0.00 C ATOM 731 OE1 GLN A 43 -13.111 3.925 -20.864 1.00 0.00 O ATOM 732 NE2 GLN A 43 -11.408 4.966 -21.893 1.00 0.00 N ATOM 0 H GLN A 43 -7.989 3.439 -18.642 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.289 5.372 -20.355 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.081 3.400 -18.220 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.190 4.705 -18.596 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.053 3.039 -20.834 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.351 2.391 -19.852 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.398 5.078 -21.987 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.038 5.520 -22.472 1.00 0.00 H new ATOM 741 N SER A 44 -8.102 6.411 -17.660 1.00 0.00 N ATOM 742 CA SER A 44 -7.990 7.533 -16.734 1.00 0.00 C ATOM 743 C SER A 44 -9.031 7.429 -15.624 1.00 0.00 C ATOM 744 O SER A 44 -9.488 8.442 -15.094 1.00 0.00 O ATOM 745 CB SER A 44 -8.152 8.859 -17.480 1.00 0.00 C ATOM 746 OG SER A 44 -7.809 9.956 -16.651 1.00 0.00 O ATOM 0 H SER A 44 -7.284 5.802 -17.687 1.00 0.00 H new ATOM 0 HA SER A 44 -6.999 7.499 -16.282 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.521 8.859 -18.369 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.182 8.965 -17.821 1.00 0.00 H new ATOM 0 HG SER A 44 -8.257 9.864 -15.784 1.00 0.00 H new ATOM 752 N ASN A 45 -9.400 6.201 -15.275 1.00 0.00 N ATOM 753 CA ASN A 45 -10.386 5.968 -14.227 1.00 0.00 C ATOM 754 C ASN A 45 -9.738 5.309 -13.011 1.00 0.00 C ATOM 755 O ASN A 45 -9.857 4.100 -12.811 1.00 0.00 O ATOM 756 CB ASN A 45 -11.527 5.095 -14.757 1.00 0.00 C ATOM 757 CG ASN A 45 -12.892 5.650 -14.400 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.571 5.137 -13.511 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.301 6.704 -15.096 1.00 0.00 N ATOM 0 H ASN A 45 -9.031 5.352 -15.703 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.793 6.931 -13.919 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.444 5.011 -15.841 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.429 4.088 -14.351 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.211 7.121 -14.902 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.705 7.097 -15.824 1.00 0.00 H new ATOM 766 N PRO A 46 -9.037 6.099 -12.179 1.00 0.00 N ATOM 767 CA PRO A 46 -8.367 5.588 -10.980 1.00 0.00 C ATOM 768 C PRO A 46 -9.353 5.213 -9.879 1.00 0.00 C ATOM 769 O PRO A 46 -10.133 6.047 -9.422 1.00 0.00 O ATOM 770 CB PRO A 46 -7.492 6.761 -10.538 1.00 0.00 C ATOM 771 CG PRO A 46 -8.194 7.969 -11.053 1.00 0.00 C ATOM 772 CD PRO A 46 -8.843 7.553 -12.346 1.00 0.00 C ATOM 0 HA PRO A 46 -7.809 4.674 -11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.391 6.794 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.486 6.682 -10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.938 8.322 -10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.493 8.788 -11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.790 8.069 -12.505 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.210 7.778 -13.204 1.00 0.00 H new ATOM 780 N TYR A 47 -9.307 3.955 -9.454 1.00 0.00 N ATOM 781 CA TYR A 47 -10.194 3.470 -8.404 1.00 0.00 C ATOM 782 C TYR A 47 -9.983 4.259 -7.116 1.00 0.00 C ATOM 783 O TYR A 47 -10.928 4.517 -6.370 1.00 0.00 O ATOM 784 CB TYR A 47 -9.952 1.981 -8.149 1.00 0.00 C ATOM 785 CG TYR A 47 -10.941 1.361 -7.186 1.00 0.00 C ATOM 786 CD1 TYR A 47 -10.807 1.536 -5.814 1.00 0.00 C ATOM 787 CD2 TYR A 47 -12.007 0.603 -7.650 1.00 0.00 C ATOM 788 CE1 TYR A 47 -11.709 0.970 -4.933 1.00 0.00 C ATOM 789 CE2 TYR A 47 -12.913 0.034 -6.775 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.759 0.221 -5.418 1.00 0.00 C ATOM 791 OH TYR A 47 -13.658 -0.342 -4.543 1.00 0.00 O ATOM 0 H TYR A 47 -8.665 3.253 -9.821 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.223 3.610 -8.735 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.998 1.447 -9.098 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.944 1.848 -7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.986 2.123 -5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.131 0.455 -8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.591 1.114 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.737 -0.554 -7.152 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.338 -0.837 -5.046 1.00 0.00 H new ATOM 801 N MET A 48 -8.736 4.642 -6.864 1.00 0.00 N ATOM 802 CA MET A 48 -8.394 5.405 -5.669 1.00 0.00 C ATOM 803 C MET A 48 -7.071 6.139 -5.858 1.00 0.00 C ATOM 804 O MET A 48 -6.087 5.554 -6.307 1.00 0.00 O ATOM 805 CB MET A 48 -8.309 4.480 -4.454 1.00 0.00 C ATOM 806 CG MET A 48 -8.691 5.155 -3.147 1.00 0.00 C ATOM 807 SD MET A 48 -7.256 5.605 -2.152 1.00 0.00 S ATOM 808 CE MET A 48 -6.423 4.025 -2.025 1.00 0.00 C ATOM 0 H MET A 48 -7.944 4.436 -7.473 1.00 0.00 H new ATOM 0 HA MET A 48 -9.179 6.142 -5.499 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.962 3.622 -4.615 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.292 4.096 -4.371 1.00 0.00 H new ATOM 0 HG2 MET A 48 -9.274 6.050 -3.362 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.332 4.487 -2.572 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.151 3.840 -0.986 1.00 0.00 H new ATOM 0 HE2 MET A 48 -7.088 3.234 -2.372 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.523 4.038 -2.639 1.00 0.00 H new ATOM 818 N VAL A 49 -7.053 7.423 -5.518 1.00 0.00 N ATOM 819 CA VAL A 49 -5.846 8.230 -5.658 1.00 0.00 C ATOM 820 C VAL A 49 -5.482 8.922 -4.348 1.00 0.00 C ATOM 821 O VAL A 49 -6.267 9.695 -3.800 1.00 0.00 O ATOM 822 CB VAL A 49 -6.005 9.291 -6.765 1.00 0.00 C ATOM 823 CG1 VAL A 49 -7.193 10.194 -6.474 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.730 10.109 -6.919 1.00 0.00 C ATOM 0 H VAL A 49 -7.858 7.926 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.043 7.547 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.190 8.775 -7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.289 10.936 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.102 9.595 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.041 10.699 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.867 10.851 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.506 10.614 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.904 9.449 -7.182 1.00 0.00 H new ATOM 834 N LEU A 50 -4.278 8.643 -3.861 1.00 0.00 N ATOM 835 CA LEU A 50 -3.793 9.238 -2.622 1.00 0.00 C ATOM 836 C LEU A 50 -2.678 10.237 -2.916 1.00 0.00 C ATOM 837 O LEU A 50 -2.010 10.150 -3.945 1.00 0.00 O ATOM 838 CB LEU A 50 -3.281 8.155 -1.667 1.00 0.00 C ATOM 839 CG LEU A 50 -3.993 6.803 -1.768 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.141 5.804 -2.539 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.322 6.267 -0.383 1.00 0.00 C ATOM 0 H LEU A 50 -3.618 8.006 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.623 9.760 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.218 8.002 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.375 8.521 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.927 6.948 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.664 4.850 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.958 6.182 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.190 5.664 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.828 5.306 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.401 6.139 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.973 6.971 0.134 1.00 0.00 H new ATOM 853 N ASP A 51 -2.482 11.188 -2.008 1.00 0.00 N ATOM 854 CA ASP A 51 -1.448 12.202 -2.178 1.00 0.00 C ATOM 855 C ASP A 51 -0.159 11.791 -1.473 1.00 0.00 C ATOM 856 O ASP A 51 -0.126 11.650 -0.251 1.00 0.00 O ATOM 857 CB ASP A 51 -1.930 13.549 -1.639 1.00 0.00 C ATOM 858 CG ASP A 51 -3.066 14.126 -2.461 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.014 14.021 -3.704 1.00 0.00 O ATOM 860 OD2 ASP A 51 -4.009 14.685 -1.861 1.00 0.00 O ATOM 0 H ASP A 51 -3.024 11.277 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.243 12.298 -3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.257 13.428 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.098 14.253 -1.630 1.00 0.00 H new ATOM 865 N ILE A 52 0.902 11.604 -2.252 1.00 0.00 N ATOM 866 CA ILE A 52 2.196 11.213 -1.705 1.00 0.00 C ATOM 867 C ILE A 52 2.686 12.231 -0.676 1.00 0.00 C ATOM 868 O ILE A 52 3.419 11.889 0.251 1.00 0.00 O ATOM 869 CB ILE A 52 3.253 11.057 -2.822 1.00 0.00 C ATOM 870 CG1 ILE A 52 2.850 9.930 -3.775 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.634 10.794 -2.230 1.00 0.00 C ATOM 872 CD1 ILE A 52 3.892 9.620 -4.831 1.00 0.00 C ATOM 0 H ILE A 52 0.891 11.717 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 52 2.061 10.249 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 52 3.301 11.989 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.655 9.028 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.916 10.200 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.361 10.688 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.921 11.629 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.609 9.877 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.535 8.811 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.071 10.508 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.821 9.318 -4.348 1.00 0.00 H new ATOM 884 N ASP A 53 2.275 13.484 -0.847 1.00 0.00 N ATOM 885 CA ASP A 53 2.674 14.550 0.065 1.00 0.00 C ATOM 886 C ASP A 53 1.883 14.481 1.370 1.00 0.00 C ATOM 887 O ASP A 53 2.368 14.903 2.420 1.00 0.00 O ATOM 888 CB ASP A 53 2.470 15.916 -0.594 1.00 0.00 C ATOM 889 CG ASP A 53 2.944 17.058 0.283 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.422 17.198 1.408 1.00 0.00 O ATOM 891 OD2 ASP A 53 3.838 17.811 -0.157 1.00 0.00 O ATOM 0 H ASP A 53 1.666 13.785 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 53 3.731 14.417 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.007 15.943 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.413 16.052 -0.823 1.00 0.00 H new ATOM 896 N LYS A 54 0.668 13.950 1.298 1.00 0.00 N ATOM 897 CA LYS A 54 -0.185 13.831 2.477 1.00 0.00 C ATOM 898 C LYS A 54 0.259 12.677 3.374 1.00 0.00 C ATOM 899 O LYS A 54 -0.122 12.611 4.543 1.00 0.00 O ATOM 900 CB LYS A 54 -1.645 13.635 2.061 1.00 0.00 C ATOM 901 CG LYS A 54 -2.317 14.912 1.583 1.00 0.00 C ATOM 902 CD LYS A 54 -3.821 14.873 1.815 1.00 0.00 C ATOM 903 CE LYS A 54 -4.264 15.949 2.794 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.440 15.516 3.599 1.00 0.00 N ATOM 0 H LYS A 54 0.251 13.595 0.438 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.094 14.757 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.691 12.890 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.204 13.234 2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.889 15.767 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.115 15.055 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.340 15.008 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.106 13.893 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.438 16.195 3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.513 16.858 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.429 16.002 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.315 15.755 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.398 14.488 3.750 1.00 0.00 H new ATOM 918 N LEU A 55 1.065 11.769 2.825 1.00 0.00 N ATOM 919 CA LEU A 55 1.553 10.622 3.589 1.00 0.00 C ATOM 920 C LEU A 55 2.177 11.068 4.907 1.00 0.00 C ATOM 921 O LEU A 55 2.837 12.107 4.972 1.00 0.00 O ATOM 922 CB LEU A 55 2.577 9.831 2.771 1.00 0.00 C ATOM 923 CG LEU A 55 2.078 9.312 1.419 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.087 8.346 0.817 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.721 8.639 1.566 1.00 0.00 C ATOM 0 H LEU A 55 1.392 11.805 1.860 1.00 0.00 H new ATOM 0 HA LEU A 55 0.700 9.980 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.447 10.465 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.914 8.982 3.365 1.00 0.00 H new ATOM 0 HG LEU A 55 1.966 10.163 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.718 7.986 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.038 8.858 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.229 7.501 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.386 8.278 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.804 7.799 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.001 9.357 1.955 1.00 0.00 H new ATOM 937 N PHE A 56 1.966 10.280 5.955 1.00 0.00 N ATOM 938 CA PHE A 56 2.509 10.596 7.270 1.00 0.00 C ATOM 939 C PHE A 56 3.736 9.742 7.574 1.00 0.00 C ATOM 940 O PHE A 56 4.705 10.220 8.164 1.00 0.00 O ATOM 941 CB PHE A 56 1.445 10.386 8.349 1.00 0.00 C ATOM 942 CG PHE A 56 0.711 11.644 8.717 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.406 12.803 9.021 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.674 11.666 8.758 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.733 13.961 9.359 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.351 12.822 9.097 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.648 13.971 9.397 1.00 0.00 C ATOM 0 H PHE A 56 1.423 9.418 5.919 1.00 0.00 H new ATOM 0 HA PHE A 56 2.811 11.643 7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.727 9.644 8.001 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.919 9.977 9.241 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.486 12.801 8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.230 10.771 8.523 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.286 14.858 9.594 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.431 12.826 9.127 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.176 14.876 9.661 1.00 0.00 H new ATOM 957 N HIS A 57 3.689 8.477 7.168 1.00 0.00 N ATOM 958 CA HIS A 57 4.800 7.562 7.400 1.00 0.00 C ATOM 959 C HIS A 57 4.535 6.202 6.759 1.00 0.00 C ATOM 960 O HIS A 57 3.436 5.658 6.863 1.00 0.00 O ATOM 961 CB HIS A 57 5.046 7.397 8.902 1.00 0.00 C ATOM 962 CG HIS A 57 6.398 7.868 9.342 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.815 9.081 9.777 1.00 0.00 N flip ATOM 964 CD2 HIS A 57 7.509 7.051 9.366 1.00 0.00 C flip ATOM 965 CE1 HIS A 57 8.156 8.974 10.052 1.00 0.00 C flip ATOM 966 NE2 HIS A 57 8.551 7.741 9.797 1.00 0.00 N flip ATOM 0 H HIS A 57 2.896 8.064 6.678 1.00 0.00 H new ATOM 0 HA HIS A 57 5.690 7.988 6.938 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.282 7.949 9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.932 6.346 9.167 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.240 9.917 9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.525 6.010 9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.786 9.771 10.418 1.00 0.00 H new ATOM 975 N VAL A 58 5.555 5.658 6.103 1.00 0.00 N ATOM 976 CA VAL A 58 5.443 4.361 5.448 1.00 0.00 C ATOM 977 C VAL A 58 6.440 3.371 6.041 1.00 0.00 C ATOM 978 O VAL A 58 7.651 3.573 5.959 1.00 0.00 O ATOM 979 CB VAL A 58 5.685 4.476 3.931 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.443 3.140 3.241 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.806 5.564 3.332 1.00 0.00 C ATOM 0 H VAL A 58 6.471 6.097 6.011 1.00 0.00 H new ATOM 0 HA VAL A 58 4.428 4.000 5.615 1.00 0.00 H new ATOM 0 HB VAL A 58 6.727 4.752 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.620 3.246 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.122 2.392 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.413 2.825 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.990 5.631 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.758 5.321 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.040 6.520 3.801 1.00 0.00 H new ATOM 991 N ARG A 59 5.926 2.301 6.641 1.00 0.00 N ATOM 992 CA ARG A 59 6.780 1.287 7.250 1.00 0.00 C ATOM 993 C ARG A 59 6.121 -0.089 7.207 1.00 0.00 C ATOM 994 O ARG A 59 4.901 -0.200 7.088 1.00 0.00 O ATOM 995 CB ARG A 59 7.101 1.665 8.697 1.00 0.00 C ATOM 996 CG ARG A 59 8.231 2.672 8.826 1.00 0.00 C ATOM 997 CD ARG A 59 8.357 3.189 10.251 1.00 0.00 C ATOM 998 NE ARG A 59 9.752 3.294 10.674 1.00 0.00 N ATOM 999 CZ ARG A 59 10.630 4.135 10.131 1.00 0.00 C ATOM 1000 NH1 ARG A 59 10.261 4.944 9.146 1.00 0.00 N ATOM 1001 NH2 ARG A 59 11.879 4.166 10.573 1.00 0.00 N ATOM 0 H ARG A 59 4.926 2.114 6.718 1.00 0.00 H new ATOM 0 HA ARG A 59 7.706 1.240 6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.205 2.075 9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.364 0.763 9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.169 2.208 8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.054 3.508 8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.881 4.167 10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.822 2.522 10.927 1.00 0.00 H new ATOM 0 HE ARG A 59 10.072 2.688 11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.301 4.923 8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.937 5.586 8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.168 3.546 11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.551 4.810 10.157 1.00 0.00 H new ATOM 1015 N PRO A 60 6.928 -1.159 7.308 1.00 0.00 N ATOM 1016 CA PRO A 60 6.422 -2.536 7.282 1.00 0.00 C ATOM 1017 C PRO A 60 5.610 -2.876 8.526 1.00 0.00 C ATOM 1018 O PRO A 60 5.607 -2.126 9.502 1.00 0.00 O ATOM 1019 CB PRO A 60 7.694 -3.384 7.230 1.00 0.00 C ATOM 1020 CG PRO A 60 8.749 -2.523 7.835 1.00 0.00 C ATOM 1021 CD PRO A 60 8.394 -1.113 7.454 1.00 0.00 C ATOM 0 HA PRO A 60 5.747 -2.705 6.443 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.573 -4.313 7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.946 -3.657 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.776 -2.640 8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.736 -2.793 7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.700 -0.400 8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.881 -0.812 6.526 1.00 0.00 H new ATOM 1029 N VAL A 61 4.927 -4.015 8.486 1.00 0.00 N ATOM 1030 CA VAL A 61 4.114 -4.456 9.613 1.00 0.00 C ATOM 1031 C VAL A 61 4.703 -5.708 10.255 1.00 0.00 C ATOM 1032 O VAL A 61 5.568 -6.367 9.676 1.00 0.00 O ATOM 1033 CB VAL A 61 2.658 -4.739 9.186 1.00 0.00 C ATOM 1034 CG1 VAL A 61 2.038 -3.501 8.557 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.591 -5.925 8.230 1.00 0.00 C ATOM 0 H VAL A 61 4.920 -4.649 7.687 1.00 0.00 H new ATOM 0 HA VAL A 61 4.113 -3.644 10.340 1.00 0.00 H new ATOM 0 HB VAL A 61 2.085 -4.995 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.011 -3.718 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.043 -2.685 9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.615 -3.212 7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.554 -6.104 7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.181 -5.708 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.990 -6.812 8.722 1.00 0.00 H new ATOM 1045 N THR A 62 4.231 -6.032 11.454 1.00 0.00 N ATOM 1046 CA THR A 62 4.712 -7.206 12.172 1.00 0.00 C ATOM 1047 C THR A 62 3.561 -8.149 12.503 1.00 0.00 C ATOM 1048 O THR A 62 2.429 -7.940 12.065 1.00 0.00 O ATOM 1049 CB THR A 62 5.428 -6.784 13.457 1.00 0.00 C ATOM 1050 OG1 THR A 62 4.519 -6.188 14.365 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.552 -5.799 13.219 1.00 0.00 C ATOM 0 H THR A 62 3.516 -5.498 11.949 1.00 0.00 H new ATOM 0 HA THR A 62 5.416 -7.733 11.528 1.00 0.00 H new ATOM 0 HB THR A 62 5.851 -7.701 13.867 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.995 -5.927 15.181 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.017 -5.541 14.170 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.296 -6.248 12.561 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.153 -4.897 12.754 1.00 0.00 H new ATOM 1059 N GLN A 63 3.856 -9.186 13.279 1.00 0.00 N ATOM 1060 CA GLN A 63 2.845 -10.162 13.671 1.00 0.00 C ATOM 1061 C GLN A 63 1.745 -9.511 14.508 1.00 0.00 C ATOM 1062 O GLN A 63 0.671 -10.085 14.685 1.00 0.00 O ATOM 1063 CB GLN A 63 3.487 -11.307 14.455 1.00 0.00 C ATOM 1064 CG GLN A 63 2.567 -12.501 14.650 1.00 0.00 C ATOM 1065 CD GLN A 63 2.743 -13.555 13.577 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.762 -14.243 13.528 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.747 -13.688 12.708 1.00 0.00 N ATOM 0 H GLN A 63 4.788 -9.373 13.650 1.00 0.00 H new ATOM 0 HA GLN A 63 2.394 -10.560 12.762 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.387 -11.633 13.934 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.800 -10.937 15.431 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.758 -12.947 15.626 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.532 -12.160 14.653 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.920 -13.096 12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.809 -14.382 11.963 1.00 0.00 H new ATOM 1076 N THR A 64 2.016 -8.315 15.025 1.00 0.00 N ATOM 1077 CA THR A 64 1.044 -7.599 15.844 1.00 0.00 C ATOM 1078 C THR A 64 -0.012 -6.917 14.977 1.00 0.00 C ATOM 1079 O THR A 64 -1.132 -6.676 15.427 1.00 0.00 O ATOM 1080 CB THR A 64 1.751 -6.561 16.715 1.00 0.00 C ATOM 1081 OG1 THR A 64 2.374 -5.572 15.914 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.813 -7.157 17.615 1.00 0.00 C ATOM 0 H THR A 64 2.899 -7.823 14.891 1.00 0.00 H new ATOM 0 HA THR A 64 0.544 -8.326 16.484 1.00 0.00 H new ATOM 0 HB THR A 64 0.969 -6.129 17.339 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.190 -5.940 15.515 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.275 -6.366 18.206 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.356 -7.888 18.282 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.573 -7.646 17.006 1.00 0.00 H new ATOM 1090 N ASP A 65 0.350 -6.605 13.736 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.572 -5.947 12.815 1.00 0.00 C ATOM 1092 C ASP A 65 -1.690 -6.893 12.389 1.00 0.00 C ATOM 1093 O ASP A 65 -2.805 -6.458 12.097 1.00 0.00 O ATOM 1094 CB ASP A 65 0.179 -5.439 11.584 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.400 -4.144 11.046 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.329 -4.210 10.215 1.00 0.00 O ATOM 1097 OD2 ASP A 65 0.077 -3.065 11.457 1.00 0.00 O ATOM 0 H ASP A 65 1.273 -6.796 13.345 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.019 -5.100 13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.228 -5.286 11.839 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.148 -6.199 10.804 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.387 -8.185 12.351 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.367 -9.189 11.955 1.00 0.00 C ATOM 1104 C VAL A 66 -2.367 -10.366 12.922 1.00 0.00 C ATOM 1105 O VAL A 66 -1.635 -10.373 13.911 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.103 -9.711 10.528 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.757 -8.804 9.498 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.610 -9.838 10.267 1.00 0.00 C ATOM 0 H VAL A 66 -0.470 -8.562 12.590 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.341 -8.701 11.977 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.546 -10.703 10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.560 -9.188 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.833 -8.775 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.348 -7.798 9.587 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.448 -10.208 9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.137 -8.862 10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.174 -10.535 10.982 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.196 -11.361 12.629 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.297 -12.548 13.469 1.00 0.00 C ATOM 1120 C TYR A 67 -3.594 -13.783 12.624 1.00 0.00 C ATOM 1121 O TYR A 67 -2.943 -14.818 12.770 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.384 -12.365 14.532 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.530 -11.479 14.094 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.632 -12.008 13.433 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -5.509 -10.111 14.344 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.680 -11.201 13.034 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -6.554 -9.298 13.947 1.00 0.00 C ATOM 1128 CZ TYR A 67 -7.635 -9.847 13.293 1.00 0.00 C ATOM 1129 OH TYR A 67 -8.677 -9.040 12.896 1.00 0.00 O ATOM 0 H TYR A 67 -3.809 -11.369 11.814 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.339 -12.691 13.969 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.779 -13.344 14.806 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.933 -11.941 15.429 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.670 -13.068 13.228 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.663 -9.677 14.856 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.530 -11.628 12.522 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.523 -8.237 14.149 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.490 -8.113 13.155 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.576 -13.664 11.739 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.958 -14.769 10.867 1.00 0.00 C ATOM 1141 C ARG A 68 -3.938 -14.956 9.746 1.00 0.00 C ATOM 1142 O ARG A 68 -3.796 -16.050 9.201 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.346 -14.522 10.272 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.447 -13.232 9.474 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.221 -13.475 7.991 1.00 0.00 C ATOM 1146 NE ARG A 68 -6.225 -12.230 7.226 1.00 0.00 N ATOM 1147 CZ ARG A 68 -5.713 -12.107 6.004 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -5.154 -13.151 5.404 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -5.759 -10.938 5.381 1.00 0.00 N ATOM 0 H ARG A 68 -5.123 -12.813 11.606 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.984 -15.679 11.467 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.609 -15.360 9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.079 -14.498 11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.430 -12.786 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.712 -12.516 9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.268 -13.985 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.998 -14.138 7.610 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.646 -11.406 7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.116 -14.052 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.763 -13.052 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.187 -10.133 5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.367 -10.844 4.444 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.231 -13.881 9.409 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.225 -13.927 8.353 1.00 0.00 C ATOM 1165 C ALA A 69 -1.167 -14.986 8.646 1.00 0.00 C ATOM 1166 O ALA A 69 -1.339 -15.820 9.533 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.577 -12.560 8.187 1.00 0.00 C ATOM 0 H ALA A 69 -3.336 -12.968 9.852 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.721 -14.199 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.828 -12.606 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.338 -11.826 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.100 -12.268 9.122 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.073 -14.947 7.891 1.00 0.00 N ATOM 1174 CA ASP A 70 1.014 -15.904 8.069 1.00 0.00 C ATOM 1175 C ASP A 70 2.338 -15.183 8.298 1.00 0.00 C ATOM 1176 O ASP A 70 2.611 -14.154 7.679 1.00 0.00 O ATOM 1177 CB ASP A 70 1.121 -16.818 6.847 1.00 0.00 C ATOM 1178 CG ASP A 70 1.646 -18.195 7.201 1.00 0.00 C ATOM 1179 OD1 ASP A 70 1.146 -18.788 8.179 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.557 -18.682 6.498 1.00 0.00 O ATOM 0 H ASP A 70 0.084 -14.263 7.151 1.00 0.00 H new ATOM 0 HA ASP A 70 0.794 -16.510 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.140 -16.914 6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.780 -16.359 6.110 1.00 0.00 H new ATOM 1185 N ALA A 71 3.156 -15.731 9.192 1.00 0.00 N ATOM 1186 CA ALA A 71 4.455 -15.144 9.509 1.00 0.00 C ATOM 1187 C ALA A 71 5.252 -14.826 8.248 1.00 0.00 C ATOM 1188 O ALA A 71 6.088 -13.923 8.242 1.00 0.00 O ATOM 1189 CB ALA A 71 5.248 -16.079 10.410 1.00 0.00 C ATOM 0 H ALA A 71 2.942 -16.583 9.711 1.00 0.00 H new ATOM 0 HA ALA A 71 4.276 -14.205 10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.215 -15.630 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.697 -16.247 11.335 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.401 -17.031 9.902 1.00 0.00 H new ATOM 1195 N LYS A 72 4.989 -15.572 7.180 1.00 0.00 N ATOM 1196 CA LYS A 72 5.686 -15.368 5.915 1.00 0.00 C ATOM 1197 C LYS A 72 5.181 -14.114 5.207 1.00 0.00 C ATOM 1198 O LYS A 72 5.945 -13.425 4.530 1.00 0.00 O ATOM 1199 CB LYS A 72 5.502 -16.587 5.008 1.00 0.00 C ATOM 1200 CG LYS A 72 5.889 -17.901 5.669 1.00 0.00 C ATOM 1201 CD LYS A 72 5.357 -19.094 4.890 1.00 0.00 C ATOM 1202 CE LYS A 72 5.657 -20.403 5.604 1.00 0.00 C ATOM 1203 NZ LYS A 72 6.047 -21.478 4.651 1.00 0.00 N ATOM 0 H LYS A 72 4.299 -16.323 7.165 1.00 0.00 H new ATOM 0 HA LYS A 72 6.746 -15.237 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.460 -16.641 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.101 -16.453 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.975 -17.967 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.499 -17.926 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.280 -18.991 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.804 -19.110 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.460 -20.248 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.779 -20.719 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.243 -22.354 5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.271 -21.644 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.900 -21.188 4.131 1.00 0.00 H new ATOM 1217 N GLU A 73 3.894 -13.824 5.365 1.00 0.00 N ATOM 1218 CA GLU A 73 3.291 -12.652 4.737 1.00 0.00 C ATOM 1219 C GLU A 73 3.597 -11.380 5.523 1.00 0.00 C ATOM 1220 O GLU A 73 3.701 -10.297 4.948 1.00 0.00 O ATOM 1221 CB GLU A 73 1.777 -12.837 4.616 1.00 0.00 C ATOM 1222 CG GLU A 73 1.372 -14.194 4.065 1.00 0.00 C ATOM 1223 CD GLU A 73 1.885 -14.429 2.658 1.00 0.00 C ATOM 1224 OE1 GLU A 73 3.040 -14.882 2.515 1.00 0.00 O ATOM 1225 OE2 GLU A 73 1.133 -14.157 1.698 1.00 0.00 O ATOM 0 H GLU A 73 3.248 -14.383 5.922 1.00 0.00 H new ATOM 0 HA GLU A 73 3.723 -12.548 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.323 -12.703 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.375 -12.057 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.752 -14.977 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.285 -14.274 4.069 1.00 0.00 H new ATOM 1232 N ILE A 74 3.737 -11.517 6.840 1.00 0.00 N ATOM 1233 CA ILE A 74 4.025 -10.374 7.703 1.00 0.00 C ATOM 1234 C ILE A 74 5.148 -9.501 7.134 1.00 0.00 C ATOM 1235 O ILE A 74 4.981 -8.291 6.984 1.00 0.00 O ATOM 1236 CB ILE A 74 4.401 -10.818 9.133 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.352 -11.785 9.688 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.543 -9.607 10.043 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.933 -11.267 9.592 1.00 0.00 C ATOM 0 H ILE A 74 3.656 -12.407 7.332 1.00 0.00 H new ATOM 0 HA ILE A 74 3.108 -9.786 7.745 1.00 0.00 H new ATOM 0 HB ILE A 74 5.359 -11.336 9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.421 -12.730 9.149 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.582 -11.996 10.732 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.808 -9.936 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.324 -8.952 9.658 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.598 -9.064 10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.247 -12.007 10.005 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.846 -10.338 10.155 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.683 -11.083 8.547 1.00 0.00 H new ATOM 1251 N PRO A 75 6.310 -10.097 6.807 1.00 0.00 N ATOM 1252 CA PRO A 75 7.447 -9.350 6.256 1.00 0.00 C ATOM 1253 C PRO A 75 7.176 -8.821 4.850 1.00 0.00 C ATOM 1254 O PRO A 75 7.932 -8.000 4.332 1.00 0.00 O ATOM 1255 CB PRO A 75 8.576 -10.383 6.229 1.00 0.00 C ATOM 1256 CG PRO A 75 7.883 -11.699 6.160 1.00 0.00 C ATOM 1257 CD PRO A 75 6.614 -11.536 6.947 1.00 0.00 C ATOM 0 HA PRO A 75 7.674 -8.465 6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.229 -10.234 5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.200 -10.311 7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.670 -11.975 5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.504 -12.490 6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.811 -12.157 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.749 -11.819 7.991 1.00 0.00 H new ATOM 1265 N ARG A 76 6.096 -9.295 4.233 1.00 0.00 N ATOM 1266 CA ARG A 76 5.739 -8.866 2.885 1.00 0.00 C ATOM 1267 C ARG A 76 4.561 -7.891 2.900 1.00 0.00 C ATOM 1268 O ARG A 76 3.999 -7.571 1.853 1.00 0.00 O ATOM 1269 CB ARG A 76 5.397 -10.078 2.015 1.00 0.00 C ATOM 1270 CG ARG A 76 6.403 -11.211 2.126 1.00 0.00 C ATOM 1271 CD ARG A 76 6.451 -12.042 0.854 1.00 0.00 C ATOM 1272 NE ARG A 76 5.791 -13.336 1.018 1.00 0.00 N ATOM 1273 CZ ARG A 76 6.362 -14.392 1.593 1.00 0.00 C ATOM 1274 NH1 ARG A 76 7.602 -14.313 2.063 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.692 -15.531 1.698 1.00 0.00 N ATOM 0 H ARG A 76 5.455 -9.974 4.644 1.00 0.00 H new ATOM 0 HA ARG A 76 6.602 -8.350 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.412 -10.450 2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.333 -9.761 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.392 -10.802 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.141 -11.850 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.973 -11.492 0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.490 -12.199 0.563 1.00 0.00 H new ATOM 0 HE ARG A 76 4.837 -13.436 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.122 -13.439 1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.034 -15.126 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.740 -15.598 1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.129 -16.341 2.138 1.00 0.00 H new ATOM 1289 N ILE A 77 4.188 -7.422 4.088 1.00 0.00 N ATOM 1290 CA ILE A 77 3.077 -6.486 4.222 1.00 0.00 C ATOM 1291 C ILE A 77 3.546 -5.154 4.802 1.00 0.00 C ATOM 1292 O ILE A 77 4.069 -5.099 5.915 1.00 0.00 O ATOM 1293 CB ILE A 77 1.962 -7.066 5.121 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.445 -8.383 4.538 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.821 -6.070 5.277 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.884 -9.330 5.578 1.00 0.00 C ATOM 0 H ILE A 77 4.637 -7.674 4.968 1.00 0.00 H new ATOM 0 HA ILE A 77 2.678 -6.320 3.221 1.00 0.00 H new ATOM 0 HB ILE A 77 2.382 -7.260 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.671 -8.165 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.258 -8.880 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.048 -6.500 5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.198 -5.154 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.400 -5.843 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.537 -10.241 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.661 -9.578 6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.049 -8.853 6.092 1.00 0.00 H new ATOM 1308 N PHE A 78 3.345 -4.080 4.043 1.00 0.00 N ATOM 1309 CA PHE A 78 3.741 -2.748 4.487 1.00 0.00 C ATOM 1310 C PHE A 78 2.532 -1.821 4.561 1.00 0.00 C ATOM 1311 O PHE A 78 1.596 -1.938 3.770 1.00 0.00 O ATOM 1312 CB PHE A 78 4.805 -2.159 3.557 1.00 0.00 C ATOM 1313 CG PHE A 78 4.425 -2.169 2.102 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.510 -3.335 1.356 1.00 0.00 C ATOM 1315 CD2 PHE A 78 3.992 -1.009 1.480 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.169 -3.342 0.016 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.649 -1.012 0.141 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.738 -2.179 -0.592 1.00 0.00 C ATOM 0 H PHE A 78 2.911 -4.106 3.120 1.00 0.00 H new ATOM 0 HA PHE A 78 4.168 -2.840 5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.009 -1.132 3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.732 -2.719 3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.846 -4.247 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.922 -0.093 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.240 -4.256 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.311 -0.102 -0.332 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.471 -2.182 -1.639 1.00 0.00 H new ATOM 1328 N GLN A 79 2.552 -0.906 5.526 1.00 0.00 N ATOM 1329 CA GLN A 79 1.452 0.034 5.715 1.00 0.00 C ATOM 1330 C GLN A 79 1.877 1.464 5.388 1.00 0.00 C ATOM 1331 O GLN A 79 3.013 1.863 5.652 1.00 0.00 O ATOM 1332 CB GLN A 79 0.941 -0.041 7.155 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.205 0.913 7.448 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.384 1.169 8.932 1.00 0.00 C ATOM 1335 OE1 GLN A 79 0.179 2.115 9.482 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.171 0.326 9.588 1.00 0.00 N ATOM 0 H GLN A 79 3.319 -0.796 6.190 1.00 0.00 H new ATOM 0 HA GLN A 79 0.652 -0.245 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.615 -1.060 7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.765 0.175 7.835 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.024 1.860 6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.128 0.502 7.040 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.618 -0.445 9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.329 0.449 10.588 1.00 0.00 H new ATOM 1345 N ILE A 80 0.950 2.228 4.818 1.00 0.00 N ATOM 1346 CA ILE A 80 1.210 3.618 4.457 1.00 0.00 C ATOM 1347 C ILE A 80 0.145 4.541 5.043 1.00 0.00 C ATOM 1348 O ILE A 80 -1.023 4.478 4.659 1.00 0.00 O ATOM 1349 CB ILE A 80 1.252 3.799 2.925 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.318 2.888 2.313 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.518 5.254 2.562 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.756 1.628 1.692 1.00 0.00 C ATOM 0 H ILE A 80 0.008 1.906 4.595 1.00 0.00 H new ATOM 0 HA ILE A 80 2.183 3.882 4.871 1.00 0.00 H new ATOM 0 HB ILE A 80 0.280 3.520 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.866 3.444 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.036 2.613 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.544 5.360 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.725 5.881 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.476 5.564 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.570 1.032 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.233 1.049 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.060 1.894 0.896 1.00 0.00 H new ATOM 1364 N LEU A 81 0.556 5.399 5.972 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.366 6.334 6.613 1.00 0.00 C ATOM 1366 C LEU A 81 -0.425 7.655 5.851 1.00 0.00 C ATOM 1367 O LEU A 81 0.576 8.112 5.297 1.00 0.00 O ATOM 1368 CB LEU A 81 0.060 6.589 8.060 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.767 7.641 8.806 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.122 7.074 9.204 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.013 8.141 10.029 1.00 0.00 C ATOM 0 H LEU A 81 1.520 5.467 6.298 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.360 5.886 6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.004 5.649 8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.105 6.900 8.065 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.935 8.485 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.694 7.836 9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.665 6.767 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.979 6.212 9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.615 8.888 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.186 7.306 10.700 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.931 8.588 9.717 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.605 8.265 5.834 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.802 9.537 5.148 1.00 0.00 C ATOM 1385 C TYR A 82 -2.978 10.299 5.749 1.00 0.00 C ATOM 1386 O TYR A 82 -3.972 9.701 6.163 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.035 9.313 3.653 1.00 0.00 C ATOM 1388 CG TYR A 82 -2.954 8.152 3.347 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -4.303 8.202 3.675 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -2.472 7.005 2.728 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -5.145 7.143 3.395 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -3.307 5.942 2.445 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.643 6.016 2.780 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.478 4.959 2.501 1.00 0.00 O ATOM 0 H TYR A 82 -2.441 7.898 6.288 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.898 10.132 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.455 10.221 3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.075 9.142 3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.700 9.083 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.427 6.944 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.191 7.198 3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.916 5.058 1.964 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.967 4.245 2.066 1.00 0.00 H new ATOM 1404 N ALA A 83 -2.858 11.621 5.794 1.00 0.00 N ATOM 1405 CA ALA A 83 -3.910 12.465 6.346 1.00 0.00 C ATOM 1406 C ALA A 83 -5.126 12.501 5.427 1.00 0.00 C ATOM 1407 O ALA A 83 -5.021 12.865 4.257 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.384 13.872 6.582 1.00 0.00 C ATOM 0 H ALA A 83 -2.042 12.131 5.455 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.222 12.038 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.179 14.493 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.551 13.836 7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.045 14.297 5.637 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.282 12.123 5.966 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.519 12.116 5.195 1.00 0.00 C ATOM 1416 C ASN A 84 -8.345 13.366 5.489 1.00 0.00 C ATOM 1417 O ASN A 84 -8.892 13.991 4.580 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.332 10.854 5.502 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.079 10.938 6.821 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.210 11.420 6.876 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.448 10.469 7.890 1.00 0.00 N ATOM 0 H ASN A 84 -6.387 11.818 6.934 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.263 12.116 4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.046 10.683 4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.663 9.993 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.901 10.500 8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.510 10.078 7.798 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.428 13.721 6.766 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.184 14.893 7.189 1.00 0.00 C ATOM 1430 C GLU A 85 -8.304 15.848 7.987 1.00 0.00 C ATOM 1431 O GLU A 85 -8.363 17.064 7.806 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.392 14.473 8.027 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.561 13.966 7.197 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.519 13.108 8.001 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -12.973 13.568 9.070 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -12.816 11.978 7.560 1.00 0.00 O ATOM 0 H GLU A 85 -7.980 13.212 7.528 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.534 15.410 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.087 13.693 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.723 15.323 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.102 14.816 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.180 13.388 6.355 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.484 15.288 8.872 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.600 16.099 9.684 1.00 0.00 C ATOM 1445 C GLY A 86 -5.282 15.409 9.974 1.00 0.00 C ATOM 1446 O GLY A 86 -4.377 15.410 9.140 1.00 0.00 O ATOM 0 H GLY A 86 -7.418 14.284 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.408 17.043 9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.095 16.340 10.625 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.174 14.817 11.159 1.00 0.00 N ATOM 1451 CA ILE A 87 -3.956 14.119 11.556 1.00 0.00 C ATOM 1452 C ILE A 87 -4.279 12.796 12.241 1.00 0.00 C ATOM 1453 O ILE A 87 -3.979 11.724 11.716 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.092 14.973 12.508 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.196 16.457 12.150 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.643 14.513 12.459 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.317 17.174 12.871 1.00 0.00 C ATOM 0 H ILE A 87 -5.914 14.806 11.861 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.395 13.930 10.641 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.466 14.842 13.524 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.251 16.947 12.386 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.346 16.554 11.075 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.044 15.124 13.135 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.582 13.468 12.764 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.262 14.617 11.443 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.332 18.221 12.570 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.269 16.709 12.616 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.158 17.108 13.947 1.00 0.00 H new ATOM 1469 N SER A 88 -4.892 12.880 13.416 1.00 0.00 N ATOM 1470 CA SER A 88 -5.257 11.690 14.177 1.00 0.00 C ATOM 1471 C SER A 88 -6.184 10.785 13.368 1.00 0.00 C ATOM 1472 O SER A 88 -6.159 9.563 13.516 1.00 0.00 O ATOM 1473 CB SER A 88 -5.931 12.084 15.491 1.00 0.00 C ATOM 1474 OG SER A 88 -6.473 10.951 16.148 1.00 0.00 O ATOM 0 H SER A 88 -5.147 13.761 13.863 1.00 0.00 H new ATOM 0 HA SER A 88 -4.343 11.139 14.397 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.207 12.573 16.142 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.723 12.807 15.294 1.00 0.00 H new ATOM 0 HG SER A 88 -6.897 11.231 16.986 1.00 0.00 H new ATOM 1480 N SER A 89 -7.001 11.394 12.515 1.00 0.00 N ATOM 1481 CA SER A 89 -7.936 10.643 11.685 1.00 0.00 C ATOM 1482 C SER A 89 -7.223 9.983 10.506 1.00 0.00 C ATOM 1483 O SER A 89 -7.741 9.039 9.910 1.00 0.00 O ATOM 1484 CB SER A 89 -9.048 11.559 11.173 1.00 0.00 C ATOM 1485 OG SER A 89 -9.777 12.128 12.246 1.00 0.00 O ATOM 0 H SER A 89 -7.035 12.405 12.380 1.00 0.00 H new ATOM 0 HA SER A 89 -8.373 9.859 12.303 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.617 12.352 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.723 10.993 10.531 1.00 0.00 H new ATOM 0 HG SER A 89 -10.481 12.711 11.891 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.034 10.487 10.175 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.244 9.952 9.066 1.00 0.00 C ATOM 1493 C ALA A 90 -5.293 8.427 9.021 1.00 0.00 C ATOM 1494 O ALA A 90 -4.853 7.754 9.953 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.804 10.427 9.173 1.00 0.00 C ATOM 0 H ALA A 90 -5.595 11.269 10.662 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.679 10.324 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.225 10.023 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.777 11.516 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.376 10.083 10.115 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.832 7.891 7.932 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.939 6.447 7.763 1.00 0.00 C ATOM 1503 C LYS A 91 -4.663 5.879 7.154 1.00 0.00 C ATOM 1504 O LYS A 91 -3.700 6.606 6.911 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.138 6.102 6.879 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.443 6.723 7.351 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.807 6.261 8.754 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.216 5.691 8.807 1.00 0.00 C ATOM 1509 NZ LYS A 91 -11.248 6.737 8.567 1.00 0.00 N ATOM 0 H LYS A 91 -6.202 8.435 7.153 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.084 6.000 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.935 6.434 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.253 5.019 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.356 7.809 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.244 6.458 6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.095 5.505 9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.727 7.099 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.317 4.903 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.385 5.231 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.194 6.308 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.169 7.476 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.103 7.159 7.627 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.661 4.573 6.913 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.500 3.905 6.335 1.00 0.00 C ATOM 1525 C ASN A 92 -3.923 2.893 5.275 1.00 0.00 C ATOM 1526 O ASN A 92 -5.102 2.559 5.157 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.682 3.209 7.426 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.546 2.659 8.548 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -3.351 2.993 9.716 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.507 1.812 8.199 1.00 0.00 N ATOM 0 H ASN A 92 -5.449 3.956 7.108 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.880 4.665 5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.110 2.395 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.962 3.915 7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.118 1.412 8.911 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.635 1.561 7.219 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.953 2.405 4.509 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.224 1.430 3.460 1.00 0.00 C ATOM 1539 C LEU A 93 -2.294 0.228 3.583 1.00 0.00 C ATOM 1540 O LEU A 93 -1.071 0.366 3.523 1.00 0.00 O ATOM 1541 CB LEU A 93 -3.062 2.075 2.081 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.170 1.752 1.080 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -3.989 2.559 -0.196 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -4.190 0.262 0.773 1.00 0.00 C ATOM 0 H LEU A 93 -1.972 2.669 4.595 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.252 1.086 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.011 3.157 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.108 1.758 1.659 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.127 2.025 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.787 2.315 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.024 3.623 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.026 2.318 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.985 0.048 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.231 -0.035 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.368 -0.296 1.692 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.878 -0.954 3.751 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.101 -2.179 3.879 1.00 0.00 C ATOM 1558 C LEU A 94 -1.922 -2.841 2.518 1.00 0.00 C ATOM 1559 O LEU A 94 -2.900 -3.153 1.838 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.788 -3.144 4.849 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.654 -2.782 6.330 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.252 -3.088 6.830 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.994 -1.315 6.552 1.00 0.00 C ATOM 0 H LEU A 94 -3.888 -1.088 3.802 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.117 -1.925 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.847 -3.194 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.377 -4.142 4.696 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.359 -3.388 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.176 -2.824 7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.046 -4.151 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.527 -2.509 6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.894 -1.074 7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.313 -0.692 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.019 -1.127 6.233 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.671 -3.044 2.125 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.370 -3.659 0.840 1.00 0.00 C ATOM 1577 C LEU A 95 0.561 -4.857 1.002 1.00 0.00 C ATOM 1578 O LEU A 95 1.698 -4.719 1.451 1.00 0.00 O ATOM 1579 CB LEU A 95 0.260 -2.624 -0.092 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.594 -1.378 -0.342 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.012 -0.534 -1.447 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -2.023 -1.768 -0.692 1.00 0.00 C ATOM 0 H LEU A 95 0.149 -2.792 2.676 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.303 -4.019 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.217 -2.313 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.472 -3.100 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.615 -0.787 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.607 0.348 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.016 -0.223 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.063 -1.119 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.613 -0.868 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.022 -2.381 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.458 -2.334 0.132 1.00 0.00 H new ATOM 1594 N LEU A 96 0.064 -6.033 0.628 1.00 0.00 N ATOM 1595 CA LEU A 96 0.842 -7.262 0.724 1.00 0.00 C ATOM 1596 C LEU A 96 1.544 -7.556 -0.600 1.00 0.00 C ATOM 1597 O LEU A 96 0.898 -7.678 -1.641 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.071 -8.430 1.119 1.00 0.00 C ATOM 1599 CG LEU A 96 0.507 -9.833 0.900 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.407 -10.228 2.059 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.614 -10.846 0.722 1.00 0.00 C ATOM 0 H LEU A 96 -0.877 -6.159 0.255 1.00 0.00 H new ATOM 0 HA LEU A 96 1.604 -7.136 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.329 -8.324 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.999 -8.348 0.554 1.00 0.00 H new ATOM 0 HG LEU A 96 1.108 -9.821 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.807 -11.227 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.229 -9.517 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.831 -10.224 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.188 -11.837 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.241 -10.856 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.218 -10.572 -0.143 1.00 0.00 H new ATOM 1613 N ALA A 97 2.866 -7.667 -0.551 1.00 0.00 N ATOM 1614 CA ALA A 97 3.652 -7.946 -1.746 1.00 0.00 C ATOM 1615 C ALA A 97 3.917 -9.441 -1.892 1.00 0.00 C ATOM 1616 O ALA A 97 4.256 -10.119 -0.922 1.00 0.00 O ATOM 1617 CB ALA A 97 4.965 -7.176 -1.705 1.00 0.00 C ATOM 0 H ALA A 97 3.416 -7.568 0.303 1.00 0.00 H new ATOM 0 HA ALA A 97 3.079 -7.619 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.543 -7.393 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.758 -6.107 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.535 -7.476 -0.826 1.00 0.00 H new ATOM 1623 N ASN A 98 3.762 -9.949 -3.110 1.00 0.00 N ATOM 1624 CA ASN A 98 3.985 -11.364 -3.386 1.00 0.00 C ATOM 1625 C ASN A 98 5.377 -11.798 -2.934 1.00 0.00 C ATOM 1626 O ASN A 98 5.608 -12.970 -2.641 1.00 0.00 O ATOM 1627 CB ASN A 98 3.811 -11.647 -4.879 1.00 0.00 C ATOM 1628 CG ASN A 98 4.569 -10.660 -5.746 1.00 0.00 C ATOM 1629 OD1 ASN A 98 3.888 -9.602 -6.172 1.00 0.00 O flip ATOM 1630 ND2 ASN A 98 5.752 -10.847 -6.032 1.00 0.00 N flip ATOM 0 H ASN A 98 3.482 -9.401 -3.923 1.00 0.00 H new ATOM 0 HA ASN A 98 3.247 -11.937 -2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.156 -12.658 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.751 -11.610 -5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.237 -11.674 -5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.247 -10.175 -6.618 1.00 0.00 H new ATOM 1637 N SER A 99 6.302 -10.843 -2.879 1.00 0.00 N ATOM 1638 CA SER A 99 7.670 -11.127 -2.460 1.00 0.00 C ATOM 1639 C SER A 99 8.160 -10.083 -1.461 1.00 0.00 C ATOM 1640 O SER A 99 7.794 -8.911 -1.544 1.00 0.00 O ATOM 1641 CB SER A 99 8.599 -11.163 -3.675 1.00 0.00 C ATOM 1642 OG SER A 99 8.731 -12.482 -4.178 1.00 0.00 O ATOM 0 H SER A 99 6.128 -9.867 -3.119 1.00 0.00 H new ATOM 0 HA SER A 99 7.681 -12.102 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.208 -10.510 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.580 -10.776 -3.398 1.00 0.00 H new ATOM 0 HG SER A 99 9.328 -12.478 -4.955 1.00 0.00 H new ATOM 1648 N THR A 100 8.987 -10.517 -0.517 1.00 0.00 N ATOM 1649 CA THR A 100 9.527 -9.621 0.499 1.00 0.00 C ATOM 1650 C THR A 100 10.292 -8.468 -0.141 1.00 0.00 C ATOM 1651 O THR A 100 10.141 -7.312 0.257 1.00 0.00 O ATOM 1652 CB THR A 100 10.447 -10.388 1.449 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.030 -11.738 1.570 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.497 -9.798 2.841 1.00 0.00 C ATOM 0 H THR A 100 9.299 -11.485 -0.434 1.00 0.00 H new ATOM 0 HA THR A 100 8.690 -9.210 1.064 1.00 0.00 H new ATOM 0 HB THR A 100 11.441 -10.319 1.007 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.498 -12.286 0.906 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.168 -10.390 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.862 -8.772 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.497 -9.806 3.276 1.00 0.00 H new ATOM 1662 N GLU A 101 11.114 -8.789 -1.133 1.00 0.00 N ATOM 1663 CA GLU A 101 11.907 -7.782 -1.829 1.00 0.00 C ATOM 1664 C GLU A 101 11.020 -6.665 -2.374 1.00 0.00 C ATOM 1665 O GLU A 101 11.391 -5.492 -2.337 1.00 0.00 O ATOM 1666 CB GLU A 101 12.695 -8.425 -2.971 1.00 0.00 C ATOM 1667 CG GLU A 101 13.455 -9.675 -2.556 1.00 0.00 C ATOM 1668 CD GLU A 101 14.621 -9.980 -3.475 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.435 -9.923 -4.709 1.00 0.00 O ATOM 1670 OE2 GLU A 101 15.720 -10.276 -2.962 1.00 0.00 O ATOM 0 H GLU A 101 11.249 -9.741 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 101 12.604 -7.348 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.008 -8.679 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.401 -7.696 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.823 -9.551 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.772 -10.525 -2.547 1.00 0.00 H new ATOM 1677 N GLU A 102 9.847 -7.037 -2.877 1.00 0.00 N ATOM 1678 CA GLU A 102 8.908 -6.065 -3.425 1.00 0.00 C ATOM 1679 C GLU A 102 8.503 -5.044 -2.366 1.00 0.00 C ATOM 1680 O GLU A 102 8.429 -3.847 -2.638 1.00 0.00 O ATOM 1681 CB GLU A 102 7.668 -6.775 -3.973 1.00 0.00 C ATOM 1682 CG GLU A 102 7.212 -6.248 -5.324 1.00 0.00 C ATOM 1683 CD GLU A 102 7.365 -7.273 -6.432 1.00 0.00 C ATOM 1684 OE1 GLU A 102 7.209 -8.479 -6.152 1.00 0.00 O ATOM 1685 OE2 GLU A 102 7.643 -6.867 -7.582 1.00 0.00 O ATOM 0 H GLU A 102 9.524 -8.004 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 102 9.403 -5.537 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.879 -7.841 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.853 -6.669 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.167 -5.944 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.788 -5.358 -5.576 1.00 0.00 H new ATOM 1692 N GLN A 103 8.242 -5.529 -1.157 1.00 0.00 N ATOM 1693 CA GLN A 103 7.843 -4.660 -0.055 1.00 0.00 C ATOM 1694 C GLN A 103 8.948 -3.658 0.272 1.00 0.00 C ATOM 1695 O GLN A 103 8.679 -2.487 0.538 1.00 0.00 O ATOM 1696 CB GLN A 103 7.507 -5.499 1.183 1.00 0.00 C ATOM 1697 CG GLN A 103 7.325 -4.681 2.453 1.00 0.00 C ATOM 1698 CD GLN A 103 8.487 -4.835 3.416 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.045 -5.922 3.564 1.00 0.00 O ATOM 1700 NE2 GLN A 103 8.858 -3.744 4.078 1.00 0.00 N ATOM 0 H GLN A 103 8.299 -6.518 -0.915 1.00 0.00 H new ATOM 0 HA GLN A 103 6.956 -4.105 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.593 -6.062 0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.302 -6.227 1.343 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.212 -3.629 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.404 -4.986 2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.367 -2.863 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.633 -3.788 4.739 1.00 0.00 H new ATOM 1709 N GLN A 104 10.192 -4.125 0.249 1.00 0.00 N ATOM 1710 CA GLN A 104 11.335 -3.264 0.545 1.00 0.00 C ATOM 1711 C GLN A 104 11.448 -2.146 -0.485 1.00 0.00 C ATOM 1712 O GLN A 104 11.717 -0.996 -0.140 1.00 0.00 O ATOM 1713 CB GLN A 104 12.642 -4.069 0.574 1.00 0.00 C ATOM 1714 CG GLN A 104 12.481 -5.516 1.018 1.00 0.00 C ATOM 1715 CD GLN A 104 11.629 -5.662 2.263 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.331 -4.682 2.944 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.233 -6.892 2.565 1.00 0.00 N ATOM 0 H GLN A 104 10.436 -5.091 0.030 1.00 0.00 H new ATOM 0 HA GLN A 104 11.171 -2.828 1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.085 -4.055 -0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.345 -3.573 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.032 -6.091 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.466 -5.944 1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.504 -7.675 1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.657 -7.054 3.391 1.00 0.00 H new ATOM 1726 N LYS A 105 11.244 -2.496 -1.751 1.00 0.00 N ATOM 1727 CA LYS A 105 11.328 -1.526 -2.835 1.00 0.00 C ATOM 1728 C LYS A 105 10.140 -0.569 -2.811 1.00 0.00 C ATOM 1729 O LYS A 105 10.311 0.647 -2.885 1.00 0.00 O ATOM 1730 CB LYS A 105 11.392 -2.244 -4.186 1.00 0.00 C ATOM 1731 CG LYS A 105 11.424 -1.297 -5.377 1.00 0.00 C ATOM 1732 CD LYS A 105 11.546 -2.056 -6.691 1.00 0.00 C ATOM 1733 CE LYS A 105 10.248 -2.012 -7.483 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.349 -2.775 -8.758 1.00 0.00 N ATOM 0 H LYS A 105 11.019 -3.445 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 105 12.239 -0.944 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.280 -2.876 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.529 -2.903 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.517 -0.693 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.263 -0.609 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.352 -1.627 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.816 -3.093 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.439 -2.422 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.990 -0.975 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.444 -2.720 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.103 -2.368 -9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.570 -3.770 -8.551 1.00 0.00 H new ATOM 1748 N TRP A 106 8.936 -1.123 -2.716 1.00 0.00 N ATOM 1749 CA TRP A 106 7.723 -0.312 -2.694 1.00 0.00 C ATOM 1750 C TRP A 106 7.765 0.729 -1.579 1.00 0.00 C ATOM 1751 O TRP A 106 7.523 1.913 -1.811 1.00 0.00 O ATOM 1752 CB TRP A 106 6.492 -1.197 -2.528 1.00 0.00 C ATOM 1753 CG TRP A 106 5.794 -1.449 -3.823 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.063 -2.446 -4.707 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.729 -0.682 -4.391 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.217 -2.361 -5.787 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.391 -1.284 -5.617 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.022 0.450 -3.980 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.380 -0.788 -6.434 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.018 0.940 -4.796 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.706 0.320 -6.009 1.00 0.00 C ATOM 0 H TRP A 106 8.774 -2.128 -2.653 1.00 0.00 H new ATOM 0 HA TRP A 106 7.663 0.213 -3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.789 -2.149 -2.087 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.800 -0.725 -1.831 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.830 -3.196 -4.579 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.207 -2.997 -6.585 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.255 0.934 -3.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.137 -1.264 -7.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.466 1.817 -4.490 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.915 0.726 -6.623 1.00 0.00 H new ATOM 1772 N VAL A 107 8.063 0.273 -0.369 1.00 0.00 N ATOM 1773 CA VAL A 107 8.127 1.152 0.792 1.00 0.00 C ATOM 1774 C VAL A 107 9.228 2.201 0.653 1.00 0.00 C ATOM 1775 O VAL A 107 8.998 3.385 0.889 1.00 0.00 O ATOM 1776 CB VAL A 107 8.362 0.349 2.085 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.299 1.257 3.305 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.349 -0.782 2.201 1.00 0.00 C ATOM 0 H VAL A 107 8.265 -0.706 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 107 7.164 1.660 0.848 1.00 0.00 H new ATOM 0 HB VAL A 107 9.360 -0.087 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.468 0.668 4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.067 2.027 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.317 1.728 3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.529 -1.339 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.341 -0.367 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.450 -1.450 1.346 1.00 0.00 H new ATOM 1788 N SER A 108 10.424 1.757 0.285 1.00 0.00 N ATOM 1789 CA SER A 108 11.563 2.658 0.137 1.00 0.00 C ATOM 1790 C SER A 108 11.358 3.650 -1.006 1.00 0.00 C ATOM 1791 O SER A 108 11.764 4.808 -0.910 1.00 0.00 O ATOM 1792 CB SER A 108 12.843 1.855 -0.098 1.00 0.00 C ATOM 1793 OG SER A 108 13.175 1.079 1.041 1.00 0.00 O ATOM 0 H SER A 108 10.631 0.779 0.083 1.00 0.00 H new ATOM 0 HA SER A 108 11.652 3.227 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.713 1.202 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.664 2.533 -0.332 1.00 0.00 H new ATOM 0 HG SER A 108 12.767 0.192 0.963 1.00 0.00 H new ATOM 1799 N ARG A 109 10.741 3.193 -2.088 1.00 0.00 N ATOM 1800 CA ARG A 109 10.501 4.051 -3.244 1.00 0.00 C ATOM 1801 C ARG A 109 9.364 5.033 -2.981 1.00 0.00 C ATOM 1802 O ARG A 109 9.525 6.244 -3.138 1.00 0.00 O ATOM 1803 CB ARG A 109 10.185 3.202 -4.476 1.00 0.00 C ATOM 1804 CG ARG A 109 11.419 2.779 -5.252 1.00 0.00 C ATOM 1805 CD ARG A 109 12.073 3.965 -5.942 1.00 0.00 C ATOM 1806 NE ARG A 109 12.641 3.601 -7.239 1.00 0.00 N ATOM 1807 CZ ARG A 109 11.925 3.478 -8.354 1.00 0.00 C ATOM 1808 NH1 ARG A 109 10.614 3.688 -8.335 1.00 0.00 N ATOM 1809 NH2 ARG A 109 12.521 3.146 -9.491 1.00 0.00 N ATOM 0 H ARG A 109 10.399 2.238 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 109 11.409 4.626 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.639 2.312 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.526 3.765 -5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.133 2.310 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.145 2.030 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.336 4.756 -6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.859 4.368 -5.303 1.00 0.00 H new ATOM 0 HE ARG A 109 13.645 3.431 -7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.151 3.945 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.070 3.592 -9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 109 13.528 2.985 -9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.972 3.052 -10.346 1.00 0.00 H new ATOM 1823 N LEU A 110 8.212 4.504 -2.583 1.00 0.00 N ATOM 1824 CA LEU A 110 7.048 5.335 -2.306 1.00 0.00 C ATOM 1825 C LEU A 110 7.337 6.331 -1.187 1.00 0.00 C ATOM 1826 O LEU A 110 6.883 7.475 -1.232 1.00 0.00 O ATOM 1827 CB LEU A 110 5.846 4.459 -1.942 1.00 0.00 C ATOM 1828 CG LEU A 110 5.885 3.837 -0.546 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.359 4.820 0.490 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.081 2.546 -0.517 1.00 0.00 C ATOM 0 H LEU A 110 8.060 3.505 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 110 6.813 5.900 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.941 5.060 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.767 3.657 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 110 6.921 3.602 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.394 4.361 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.976 5.718 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.330 5.086 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.119 2.116 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.045 2.757 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.502 1.839 -1.232 1.00 0.00 H new ATOM 1842 N VAL A 111 8.097 5.896 -0.186 1.00 0.00 N ATOM 1843 CA VAL A 111 8.443 6.760 0.936 1.00 0.00 C ATOM 1844 C VAL A 111 9.448 7.826 0.511 1.00 0.00 C ATOM 1845 O VAL A 111 9.320 8.996 0.874 1.00 0.00 O ATOM 1846 CB VAL A 111 9.016 5.953 2.121 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.437 5.485 1.833 1.00 0.00 C ATOM 1848 CG2 VAL A 111 8.970 6.777 3.398 1.00 0.00 C ATOM 0 H VAL A 111 8.483 4.954 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 111 7.522 7.244 1.262 1.00 0.00 H new ATOM 0 HB VAL A 111 8.395 5.068 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.814 4.920 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.438 4.850 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.077 6.350 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.378 6.193 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.562 7.683 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.937 7.047 3.620 1.00 0.00 H new ATOM 1858 N LYS A 112 10.445 7.413 -0.264 1.00 0.00 N ATOM 1859 CA LYS A 112 11.470 8.330 -0.744 1.00 0.00 C ATOM 1860 C LYS A 112 10.847 9.450 -1.570 1.00 0.00 C ATOM 1861 O LYS A 112 11.363 10.567 -1.610 1.00 0.00 O ATOM 1862 CB LYS A 112 12.508 7.578 -1.582 1.00 0.00 C ATOM 1863 CG LYS A 112 13.697 7.084 -0.776 1.00 0.00 C ATOM 1864 CD LYS A 112 14.900 6.814 -1.669 1.00 0.00 C ATOM 1865 CE LYS A 112 14.879 5.397 -2.218 1.00 0.00 C ATOM 1866 NZ LYS A 112 15.216 5.358 -3.668 1.00 0.00 N ATOM 0 H LYS A 112 10.564 6.448 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 112 11.965 8.770 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.027 6.727 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.865 8.233 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.961 7.826 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.425 6.172 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.908 7.525 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.818 6.972 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.588 4.782 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.892 4.962 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.191 4.374 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.524 5.923 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.169 5.749 -3.814 1.00 0.00 H new ATOM 1880 N LYS A 113 9.734 9.142 -2.229 1.00 0.00 N ATOM 1881 CA LYS A 113 9.040 10.126 -3.053 1.00 0.00 C ATOM 1882 C LYS A 113 8.258 11.122 -2.195 1.00 0.00 C ATOM 1883 O LYS A 113 7.702 12.091 -2.711 1.00 0.00 O ATOM 1884 CB LYS A 113 8.094 9.423 -4.028 1.00 0.00 C ATOM 1885 CG LYS A 113 8.812 8.629 -5.107 1.00 0.00 C ATOM 1886 CD LYS A 113 7.830 7.885 -6.000 1.00 0.00 C ATOM 1887 CE LYS A 113 7.776 8.487 -7.395 1.00 0.00 C ATOM 1888 NZ LYS A 113 8.659 7.762 -8.349 1.00 0.00 N ATOM 0 H LYS A 113 9.294 8.222 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 113 9.792 10.681 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.442 8.752 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.455 10.168 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.418 9.302 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.494 7.917 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.120 6.836 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.837 7.913 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.750 8.463 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.074 9.535 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.593 8.204 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.643 7.806 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.359 6.768 -8.413 1.00 0.00 H new ATOM 1902 N ILE A 114 8.216 10.881 -0.886 1.00 0.00 N ATOM 1903 CA ILE A 114 7.499 11.761 0.029 1.00 0.00 C ATOM 1904 C ILE A 114 8.347 12.975 0.406 1.00 0.00 C ATOM 1905 O ILE A 114 9.537 12.843 0.694 1.00 0.00 O ATOM 1906 CB ILE A 114 7.089 11.021 1.316 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.417 9.691 0.973 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.165 11.891 2.154 1.00 0.00 C ATOM 1909 CD1 ILE A 114 5.945 8.920 2.187 1.00 0.00 C ATOM 0 H ILE A 114 8.670 10.085 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 114 6.602 12.094 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 114 7.985 10.811 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.565 9.882 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.118 9.074 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.883 11.355 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.679 12.814 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.269 12.129 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.479 7.988 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.796 8.698 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.220 9.518 2.738 1.00 0.00 H new ATOM 1921 N PRO A 115 7.746 14.179 0.412 1.00 0.00 N ATOM 1922 CA PRO A 115 8.456 15.411 0.758 1.00 0.00 C ATOM 1923 C PRO A 115 8.661 15.558 2.263 1.00 0.00 C ATOM 1924 O PRO A 115 9.716 16.002 2.716 1.00 0.00 O ATOM 1925 CB PRO A 115 7.524 16.503 0.237 1.00 0.00 C ATOM 1926 CG PRO A 115 6.162 15.910 0.332 1.00 0.00 C ATOM 1927 CD PRO A 115 6.328 14.433 0.083 1.00 0.00 C ATOM 0 HA PRO A 115 9.459 15.443 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.604 17.411 0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.767 16.775 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.726 16.093 1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.491 16.356 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.660 13.844 0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.104 14.174 -0.952 1.00 0.00 H new ATOM 1935 N LYS A 116 7.644 15.181 3.032 1.00 0.00 N ATOM 1936 CA LYS A 116 7.711 15.270 4.486 1.00 0.00 C ATOM 1937 C LYS A 116 8.114 13.931 5.096 1.00 0.00 C ATOM 1938 O LYS A 116 7.484 13.449 6.037 1.00 0.00 O ATOM 1939 CB LYS A 116 6.362 15.718 5.053 1.00 0.00 C ATOM 1940 CG LYS A 116 6.201 17.228 5.119 1.00 0.00 C ATOM 1941 CD LYS A 116 5.050 17.624 6.031 1.00 0.00 C ATOM 1942 CE LYS A 116 3.786 17.914 5.239 1.00 0.00 C ATOM 1943 NZ LYS A 116 2.855 16.752 5.232 1.00 0.00 N ATOM 0 H LYS A 116 6.764 14.811 2.672 1.00 0.00 H new ATOM 0 HA LYS A 116 8.469 16.009 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.563 15.302 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.243 15.304 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.125 17.679 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 116 6.025 17.621 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.858 16.823 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.329 18.505 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.281 18.781 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 116 4.051 18.172 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.006 16.991 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.327 15.931 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.581 16.521 6.208 1.00 0.00 H new ATOM 1957 N LYS A 117 9.171 13.333 4.553 1.00 0.00 N ATOM 1958 CA LYS A 117 9.659 12.051 5.043 1.00 0.00 C ATOM 1959 C LYS A 117 10.063 12.146 6.510 1.00 0.00 C ATOM 1960 O LYS A 117 10.560 11.137 7.054 1.00 0.00 O ATOM 1961 CB LYS A 117 10.848 11.580 4.204 1.00 0.00 C ATOM 1962 CG LYS A 117 11.296 10.164 4.525 1.00 0.00 C ATOM 1963 CD LYS A 117 12.107 9.565 3.386 1.00 0.00 C ATOM 1964 CE LYS A 117 13.306 8.787 3.905 1.00 0.00 C ATOM 1965 NZ LYS A 117 13.692 7.680 2.987 1.00 0.00 N ATOM 1966 OXT LYS A 117 9.880 13.229 7.104 1.00 0.00 O ATOM 0 H LYS A 117 9.705 13.717 3.773 1.00 0.00 H new ATOM 0 HA LYS A 117 8.850 11.326 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.583 11.638 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.685 12.261 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.894 10.168 5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.423 9.540 4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.473 8.906 2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.447 10.360 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.151 9.464 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.075 8.378 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 14.385 7.064 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.848 7.125 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 14.113 8.077 2.123 1.00 0.00 H new TER 1980 LYS A 117