USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=27 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 :FLIP amide:sc= -2.21! F(o=-12,f=-10!) USER MOD Set 1.2: A 104 GLN : amide:sc= -7.95! C(o=-10!,f=-12!) USER MOD Set 2.1: A 62 THR OG1 : rot -175:sc= 1.13 USER MOD Set 2.2: A 64 THR OG1 : rot -67:sc= 1.05 USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.108 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 160:sc= -0.817 USER MOD Single : A 13 ASN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.01 K(o=-1,f=-15!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.024 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -108:sc= -0.835 (180deg=-6.45!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -35:sc= 0.234 USER MOD Single : A 28 SER OG : rot 180:sc= -0.416 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc=-0.00127 (180deg=-0.0586) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.0924 (180deg=-0.468) USER MOD Single : A 35 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0973 USER MOD Single : A 39 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.56) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.4) USER MOD Single : A 44 SER OG : rot 180:sc= 0 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 -128:sc= -3.03! (180deg=-5.64!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.41) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0436 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.959 USER MOD Single : A 84 ASN :FLIP amide:sc= -5.05! F(o=-5.6,f=-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 :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.24) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.0651 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 97:sc= 0.668 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.981 4.451 -16.312 1.00 0.00 N ATOM 2 CA SER A 1 7.793 4.274 -15.435 1.00 0.00 C ATOM 3 C SER A 1 8.135 4.569 -13.979 1.00 0.00 C ATOM 4 O SER A 1 9.241 5.013 -13.668 1.00 0.00 O ATOM 5 CB SER A 1 7.292 2.836 -15.579 1.00 0.00 C ATOM 6 OG SER A 1 6.909 2.560 -16.916 1.00 0.00 O ATOM 0 H1 SER A 1 8.758 5.134 -17.064 1.00 0.00 H new ATOM 0 H2 SER A 1 9.779 4.806 -15.748 1.00 0.00 H new ATOM 0 H3 SER A 1 9.237 3.538 -16.738 1.00 0.00 H new ATOM 0 HA SER A 1 7.016 4.975 -15.738 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.075 2.143 -15.271 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.444 2.675 -14.914 1.00 0.00 H new ATOM 0 HG SER A 1 6.594 1.634 -16.982 1.00 0.00 H new ATOM 14 N ARG A 2 7.179 4.319 -13.089 1.00 0.00 N ATOM 15 CA ARG A 2 7.380 4.557 -11.665 1.00 0.00 C ATOM 16 C ARG A 2 6.943 3.347 -10.845 1.00 0.00 C ATOM 17 O ARG A 2 6.530 2.328 -11.398 1.00 0.00 O ATOM 18 CB ARG A 2 6.607 5.802 -11.219 1.00 0.00 C ATOM 19 CG ARG A 2 5.207 5.895 -11.803 1.00 0.00 C ATOM 20 CD ARG A 2 5.210 6.591 -13.155 1.00 0.00 C ATOM 21 NE ARG A 2 5.888 7.885 -13.103 1.00 0.00 N ATOM 22 CZ ARG A 2 6.200 8.602 -14.179 1.00 0.00 C ATOM 23 NH1 ARG A 2 5.898 8.157 -15.393 1.00 0.00 N ATOM 24 NH2 ARG A 2 6.816 9.769 -14.044 1.00 0.00 N ATOM 0 H ARG A 2 6.258 3.952 -13.330 1.00 0.00 H new ATOM 0 HA ARG A 2 8.444 4.722 -11.495 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.538 5.805 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.170 6.690 -11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.789 4.894 -11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.560 6.439 -11.114 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.701 5.953 -13.890 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.183 6.733 -13.492 1.00 0.00 H new ATOM 0 HE ARG A 2 6.136 8.260 -12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.424 7.261 -15.504 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.140 8.712 -16.214 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.051 10.117 -13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.055 10.318 -14.870 1.00 0.00 H new ATOM 38 N LEU A 3 7.037 3.467 -9.522 1.00 0.00 N ATOM 39 CA LEU A 3 6.652 2.383 -8.622 1.00 0.00 C ATOM 40 C LEU A 3 5.240 1.893 -8.926 1.00 0.00 C ATOM 41 O LEU A 3 4.265 2.414 -8.388 1.00 0.00 O ATOM 42 CB LEU A 3 6.731 2.849 -7.168 1.00 0.00 C ATOM 43 CG LEU A 3 6.682 1.734 -6.123 1.00 0.00 C ATOM 44 CD1 LEU A 3 7.823 0.747 -6.339 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.735 2.321 -4.719 1.00 0.00 C ATOM 0 H LEU A 3 7.377 4.305 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 3 7.347 1.557 -8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.655 3.411 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.908 3.538 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 3 5.741 1.195 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.771 -0.039 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.738 0.305 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.776 1.269 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.699 1.515 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.660 2.884 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.884 2.985 -4.570 1.00 0.00 H new ATOM 57 N GLU A 4 5.138 0.895 -9.794 1.00 0.00 N ATOM 58 CA GLU A 4 3.844 0.346 -10.169 1.00 0.00 C ATOM 59 C GLU A 4 3.854 -1.179 -10.113 1.00 0.00 C ATOM 60 O GLU A 4 4.913 -1.806 -10.079 1.00 0.00 O ATOM 61 CB GLU A 4 3.464 0.813 -11.575 1.00 0.00 C ATOM 62 CG GLU A 4 4.336 0.221 -12.672 1.00 0.00 C ATOM 63 CD GLU A 4 3.922 0.682 -14.056 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.999 1.899 -14.324 1.00 0.00 O ATOM 65 OE2 GLU A 4 3.521 -0.175 -14.871 1.00 0.00 O ATOM 0 H GLU A 4 5.935 0.451 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 4 3.104 0.708 -9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.424 0.549 -11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.530 1.900 -11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.375 0.499 -12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.285 -0.867 -12.625 1.00 0.00 H new ATOM 72 N GLY A 5 2.664 -1.764 -10.104 1.00 0.00 N ATOM 73 CA GLY A 5 2.539 -3.207 -10.055 1.00 0.00 C ATOM 74 C GLY A 5 1.255 -3.634 -9.380 1.00 0.00 C ATOM 75 O GLY A 5 0.280 -2.883 -9.362 1.00 0.00 O ATOM 0 H GLY A 5 1.777 -1.261 -10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.569 -3.610 -11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.390 -3.628 -9.519 1.00 0.00 H new ATOM 79 N TRP A 6 1.247 -4.833 -8.814 1.00 0.00 N ATOM 80 CA TRP A 6 0.064 -5.335 -8.131 1.00 0.00 C ATOM 81 C TRP A 6 0.362 -5.629 -6.671 1.00 0.00 C ATOM 82 O TRP A 6 1.261 -6.408 -6.352 1.00 0.00 O ATOM 83 CB TRP A 6 -0.465 -6.595 -8.809 1.00 0.00 C ATOM 84 CG TRP A 6 -0.651 -6.421 -10.277 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.327 -6.445 -11.217 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.879 -6.189 -10.973 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.209 -6.232 -12.459 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.565 -6.077 -12.338 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.214 -6.064 -10.577 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.534 -5.847 -13.311 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.177 -5.836 -11.541 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.833 -5.730 -12.894 1.00 0.00 C ATOM 0 H TRP A 6 2.042 -5.473 -8.814 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.699 -4.558 -8.186 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.227 -7.418 -8.629 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.417 -6.874 -8.357 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.375 -6.608 -11.015 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.316 -6.195 -13.333 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.488 -6.144 -9.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.271 -5.764 -14.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.211 -5.738 -11.246 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.609 -5.552 -13.624 1.00 0.00 H new ATOM 103 N LEU A 7 -0.410 -5.018 -5.786 1.00 0.00 N ATOM 104 CA LEU A 7 -0.246 -5.230 -4.359 1.00 0.00 C ATOM 105 C LEU A 7 -1.532 -5.788 -3.786 1.00 0.00 C ATOM 106 O LEU A 7 -2.618 -5.494 -4.278 1.00 0.00 O ATOM 107 CB LEU A 7 0.137 -3.936 -3.654 1.00 0.00 C ATOM 108 CG LEU A 7 1.481 -3.345 -4.079 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.561 -1.880 -3.696 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.627 -4.123 -3.450 1.00 0.00 C ATOM 0 H LEU A 7 -1.158 -4.370 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 7 0.562 -5.944 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.642 -3.196 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.160 -4.118 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 7 1.565 -3.423 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.524 -1.475 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.760 -1.330 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.456 -1.780 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.577 -3.689 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.547 -4.075 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.580 -5.163 -3.772 1.00 0.00 H new ATOM 122 N SER A 8 -1.405 -6.617 -2.766 1.00 0.00 N ATOM 123 CA SER A 8 -2.570 -7.252 -2.161 1.00 0.00 C ATOM 124 C SER A 8 -3.147 -6.420 -1.024 1.00 0.00 C ATOM 125 O SER A 8 -2.416 -5.863 -0.208 1.00 0.00 O ATOM 126 CB SER A 8 -2.203 -8.649 -1.654 1.00 0.00 C ATOM 127 OG SER A 8 -2.692 -9.653 -2.526 1.00 0.00 O ATOM 0 H SER A 8 -0.514 -6.868 -2.338 1.00 0.00 H new ATOM 0 HA SER A 8 -3.337 -7.333 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.120 -8.735 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.616 -8.797 -0.656 1.00 0.00 H new ATOM 0 HG SER A 8 -2.195 -10.485 -2.378 1.00 0.00 H new ATOM 133 N LEU A 9 -4.473 -6.351 -0.985 1.00 0.00 N ATOM 134 CA LEU A 9 -5.178 -5.601 0.044 1.00 0.00 C ATOM 135 C LEU A 9 -6.225 -6.481 0.721 1.00 0.00 C ATOM 136 O LEU A 9 -6.704 -7.450 0.133 1.00 0.00 O ATOM 137 CB LEU A 9 -5.848 -4.369 -0.568 1.00 0.00 C ATOM 138 CG LEU A 9 -4.899 -3.396 -1.270 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.817 -3.708 -2.755 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.349 -1.960 -1.051 1.00 0.00 C ATOM 0 H LEU A 9 -5.084 -6.810 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.456 -5.277 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.599 -4.701 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.376 -3.832 0.220 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.905 -3.515 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.137 -3.005 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.447 -4.724 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.808 -3.619 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.662 -1.282 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.353 -1.828 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.355 -1.739 0.016 1.00 0.00 H new ATOM 152 N PRO A 10 -6.596 -6.160 1.972 1.00 0.00 N ATOM 153 CA PRO A 10 -7.592 -6.934 2.720 1.00 0.00 C ATOM 154 C PRO A 10 -8.945 -6.961 2.016 1.00 0.00 C ATOM 155 O PRO A 10 -9.610 -5.934 1.889 1.00 0.00 O ATOM 156 CB PRO A 10 -7.697 -6.198 4.062 1.00 0.00 C ATOM 157 CG PRO A 10 -7.130 -4.843 3.812 1.00 0.00 C ATOM 158 CD PRO A 10 -6.081 -5.024 2.753 1.00 0.00 C ATOM 0 HA PRO A 10 -7.300 -7.979 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.733 -6.136 4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.141 -6.719 4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.904 -4.151 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.698 -4.426 4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.968 -4.130 2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.104 -5.240 3.185 1.00 0.00 H new ATOM 166 N VAL A 11 -9.344 -8.145 1.560 1.00 0.00 N ATOM 167 CA VAL A 11 -10.616 -8.309 0.867 1.00 0.00 C ATOM 168 C VAL A 11 -11.543 -9.252 1.627 1.00 0.00 C ATOM 169 O VAL A 11 -11.313 -10.460 1.678 1.00 0.00 O ATOM 170 CB VAL A 11 -10.408 -8.844 -0.563 1.00 0.00 C ATOM 171 CG1 VAL A 11 -9.741 -10.212 -0.535 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.730 -8.902 -1.314 1.00 0.00 C ATOM 0 H VAL A 11 -8.804 -9.005 1.658 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.078 -7.323 0.814 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.748 -8.156 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.604 -10.571 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.771 -10.134 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.370 -10.912 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.560 -9.282 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.419 -9.563 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.160 -7.902 -1.372 1.00 0.00 H new ATOM 182 N ARG A 12 -12.595 -8.689 2.215 1.00 0.00 N ATOM 183 CA ARG A 12 -13.562 -9.477 2.974 1.00 0.00 C ATOM 184 C ARG A 12 -14.128 -10.612 2.126 1.00 0.00 C ATOM 185 O ARG A 12 -14.961 -10.389 1.248 1.00 0.00 O ATOM 186 CB ARG A 12 -14.698 -8.583 3.473 1.00 0.00 C ATOM 187 CG ARG A 12 -15.192 -7.589 2.433 1.00 0.00 C ATOM 188 CD ARG A 12 -16.586 -7.077 2.762 1.00 0.00 C ATOM 189 NE ARG A 12 -17.584 -7.563 1.813 1.00 0.00 N ATOM 190 CZ ARG A 12 -18.782 -7.007 1.650 1.00 0.00 C ATOM 191 NH1 ARG A 12 -19.135 -5.949 2.369 1.00 0.00 N ATOM 192 NH2 ARG A 12 -19.630 -7.510 0.763 1.00 0.00 N ATOM 0 H ARG A 12 -12.800 -7.690 2.181 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.046 -9.912 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.531 -9.211 3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.359 -8.037 4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.500 -6.749 2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.201 -8.063 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.860 -7.391 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.582 -5.987 2.758 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.349 -8.375 1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.486 -5.557 3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -20.055 -5.528 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.364 -8.322 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -20.548 -7.085 0.637 1.00 0.00 H new ATOM 206 N ASN A 13 -13.669 -11.829 2.396 1.00 0.00 N ATOM 207 CA ASN A 13 -14.128 -13.000 1.658 1.00 0.00 C ATOM 208 C ASN A 13 -15.579 -13.326 1.998 1.00 0.00 C ATOM 209 O ASN A 13 -16.482 -13.095 1.193 1.00 0.00 O ATOM 210 CB ASN A 13 -13.238 -14.204 1.968 1.00 0.00 C ATOM 211 CG ASN A 13 -12.078 -14.328 0.999 1.00 0.00 C ATOM 212 OD1 ASN A 13 -11.835 -15.395 0.436 1.00 0.00 O ATOM 213 ND2 ASN A 13 -11.353 -13.233 0.803 1.00 0.00 N ATOM 0 H ASN A 13 -12.980 -12.030 3.120 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.066 -12.774 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.852 -14.116 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.837 -15.114 1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.558 -13.255 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.591 -12.370 1.291 1.00 0.00 H new ATOM 220 N ASN A 14 -15.797 -13.864 3.192 1.00 0.00 N ATOM 221 CA ASN A 14 -17.141 -14.223 3.633 1.00 0.00 C ATOM 222 C ASN A 14 -17.861 -13.017 4.232 1.00 0.00 C ATOM 223 O ASN A 14 -18.969 -12.680 3.816 1.00 0.00 O ATOM 224 CB ASN A 14 -17.086 -15.363 4.655 1.00 0.00 C ATOM 225 CG ASN A 14 -16.051 -15.128 5.737 1.00 0.00 C ATOM 226 OD1 ASN A 14 -15.392 -14.090 5.768 1.00 0.00 O ATOM 227 ND2 ASN A 14 -15.904 -16.097 6.634 1.00 0.00 N ATOM 0 H ASN A 14 -15.062 -14.061 3.872 1.00 0.00 H new ATOM 0 HA ASN A 14 -17.701 -14.559 2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.067 -15.481 5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -16.862 -16.297 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.223 -15.996 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -16.472 -16.942 6.570 1.00 0.00 H new ATOM 234 N THR A 15 -17.227 -12.374 5.208 1.00 0.00 N ATOM 235 CA THR A 15 -17.814 -11.209 5.859 1.00 0.00 C ATOM 236 C THR A 15 -16.829 -10.568 6.834 1.00 0.00 C ATOM 237 O THR A 15 -16.421 -9.422 6.655 1.00 0.00 O ATOM 238 CB THR A 15 -19.093 -11.602 6.598 1.00 0.00 C ATOM 239 OG1 THR A 15 -19.052 -12.965 6.980 1.00 0.00 O ATOM 240 CG2 THR A 15 -20.346 -11.393 5.777 1.00 0.00 C ATOM 0 H THR A 15 -16.309 -12.640 5.564 1.00 0.00 H new ATOM 0 HA THR A 15 -18.056 -10.480 5.085 1.00 0.00 H new ATOM 0 HB THR A 15 -19.136 -10.949 7.469 1.00 0.00 H new ATOM 0 HG1 THR A 15 -19.878 -13.197 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.217 -11.691 6.360 1.00 0.00 H new ATOM 0 HG22 THR A 15 -20.433 -10.340 5.507 1.00 0.00 H new ATOM 0 HG23 THR A 15 -20.292 -11.996 4.871 1.00 0.00 H new ATOM 248 N LYS A 16 -16.456 -11.316 7.869 1.00 0.00 N ATOM 249 CA LYS A 16 -15.525 -10.816 8.874 1.00 0.00 C ATOM 250 C LYS A 16 -14.127 -11.399 8.671 1.00 0.00 C ATOM 251 O LYS A 16 -13.398 -11.641 9.633 1.00 0.00 O ATOM 252 CB LYS A 16 -16.036 -11.150 10.279 1.00 0.00 C ATOM 253 CG LYS A 16 -16.474 -9.931 11.072 1.00 0.00 C ATOM 254 CD LYS A 16 -16.397 -10.183 12.569 1.00 0.00 C ATOM 255 CE LYS A 16 -14.957 -10.234 13.054 1.00 0.00 C ATOM 256 NZ LYS A 16 -14.847 -9.916 14.503 1.00 0.00 N ATOM 0 H LYS A 16 -16.784 -12.268 8.033 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.459 -9.733 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.875 -11.840 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.250 -11.668 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.843 -9.081 10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.495 -9.666 10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.933 -9.396 13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.895 -11.123 12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.547 -11.227 12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.356 -9.528 12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.849 -9.962 14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.215 -8.959 14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.400 -10.605 15.052 1.00 0.00 H new ATOM 270 N LYS A 17 -13.758 -11.615 7.413 1.00 0.00 N ATOM 271 CA LYS A 17 -12.446 -12.162 7.085 1.00 0.00 C ATOM 272 C LYS A 17 -11.939 -11.596 5.765 1.00 0.00 C ATOM 273 O LYS A 17 -12.493 -11.878 4.703 1.00 0.00 O ATOM 274 CB LYS A 17 -12.507 -13.688 7.010 1.00 0.00 C ATOM 275 CG LYS A 17 -11.182 -14.336 6.633 1.00 0.00 C ATOM 276 CD LYS A 17 -10.097 -14.034 7.657 1.00 0.00 C ATOM 277 CE LYS A 17 -8.819 -13.541 6.993 1.00 0.00 C ATOM 278 NZ LYS A 17 -8.437 -12.180 7.462 1.00 0.00 N ATOM 0 H LYS A 17 -14.348 -11.420 6.604 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.752 -11.874 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.830 -14.078 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.263 -13.977 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.315 -15.415 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.867 -13.978 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.457 -13.281 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.883 -14.932 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.008 -14.238 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.954 -13.527 5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.608 -11.490 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.007 -11.927 8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.429 -12.171 7.717 1.00 0.00 H new ATOM 292 N PHE A 18 -10.885 -10.792 5.841 1.00 0.00 N ATOM 293 CA PHE A 18 -10.303 -10.179 4.652 1.00 0.00 C ATOM 294 C PHE A 18 -9.036 -10.912 4.223 1.00 0.00 C ATOM 295 O PHE A 18 -8.068 -10.993 4.980 1.00 0.00 O ATOM 296 CB PHE A 18 -9.991 -8.706 4.916 1.00 0.00 C ATOM 297 CG PHE A 18 -11.068 -7.994 5.685 1.00 0.00 C ATOM 298 CD1 PHE A 18 -11.180 -8.157 7.057 1.00 0.00 C ATOM 299 CD2 PHE A 18 -11.966 -7.162 5.038 1.00 0.00 C ATOM 300 CE1 PHE A 18 -12.170 -7.502 7.767 1.00 0.00 C ATOM 301 CE2 PHE A 18 -12.958 -6.506 5.742 1.00 0.00 C ATOM 302 CZ PHE A 18 -13.058 -6.676 7.109 1.00 0.00 C ATOM 0 H PHE A 18 -10.416 -10.549 6.713 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.031 -10.251 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.054 -8.635 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.840 -8.198 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.487 -8.802 7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.890 -7.024 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.248 -7.637 8.836 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.653 -5.862 5.224 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.831 -6.163 7.662 1.00 0.00 H new ATOM 312 N GLY A 19 -9.047 -11.438 3.003 1.00 0.00 N ATOM 313 CA GLY A 19 -7.891 -12.152 2.491 1.00 0.00 C ATOM 314 C GLY A 19 -6.916 -11.228 1.793 1.00 0.00 C ATOM 315 O GLY A 19 -6.414 -10.277 2.393 1.00 0.00 O ATOM 0 H GLY A 19 -9.836 -11.383 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.385 -12.659 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.221 -12.924 1.795 1.00 0.00 H new ATOM 319 N TRP A 20 -6.650 -11.499 0.518 1.00 0.00 N ATOM 320 CA TRP A 20 -5.733 -10.672 -0.254 1.00 0.00 C ATOM 321 C TRP A 20 -6.130 -10.629 -1.724 1.00 0.00 C ATOM 322 O TRP A 20 -6.555 -11.629 -2.300 1.00 0.00 O ATOM 323 CB TRP A 20 -4.298 -11.185 -0.131 1.00 0.00 C ATOM 324 CG TRP A 20 -3.808 -11.260 1.283 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.437 -12.382 1.965 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.633 -10.164 2.188 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.039 -12.050 3.238 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.152 -10.694 3.399 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.836 -8.783 2.091 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.870 -9.894 4.504 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.556 -7.990 3.189 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.078 -8.547 4.381 1.00 0.00 C ATOM 0 H TRP A 20 -7.055 -12.280 0.002 1.00 0.00 H new ATOM 0 HA TRP A 20 -5.789 -9.663 0.155 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.235 -12.175 -0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.637 -10.532 -0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.454 -13.384 1.563 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.713 -12.706 3.947 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.205 -8.344 1.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.501 -10.321 5.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.709 -6.923 3.126 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.869 -7.901 5.221 1.00 0.00 H new ATOM 343 N VAL A 21 -5.969 -9.457 -2.321 1.00 0.00 N ATOM 344 CA VAL A 21 -6.285 -9.253 -3.727 1.00 0.00 C ATOM 345 C VAL A 21 -5.331 -8.224 -4.319 1.00 0.00 C ATOM 346 O VAL A 21 -5.367 -7.053 -3.943 1.00 0.00 O ATOM 347 CB VAL A 21 -7.738 -8.773 -3.918 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.970 -7.461 -3.184 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.066 -8.631 -5.398 1.00 0.00 C ATOM 0 H VAL A 21 -5.618 -8.625 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.174 -10.209 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.406 -9.522 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.001 -7.139 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.782 -7.601 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.293 -6.701 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.096 -8.291 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.392 -7.904 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.946 -9.595 -5.892 1.00 0.00 H new ATOM 359 N LYS A 22 -4.459 -8.661 -5.221 1.00 0.00 N ATOM 360 CA LYS A 22 -3.495 -7.755 -5.812 1.00 0.00 C ATOM 361 C LYS A 22 -4.148 -6.789 -6.795 1.00 0.00 C ATOM 362 O LYS A 22 -4.564 -7.174 -7.887 1.00 0.00 O ATOM 363 CB LYS A 22 -2.376 -8.536 -6.498 1.00 0.00 C ATOM 364 CG LYS A 22 -2.801 -9.201 -7.792 1.00 0.00 C ATOM 365 CD LYS A 22 -1.769 -10.205 -8.260 1.00 0.00 C ATOM 366 CE LYS A 22 -1.228 -9.822 -9.622 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.486 -10.941 -10.267 1.00 0.00 N ATOM 0 H LYS A 22 -4.403 -9.624 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.069 -7.161 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.546 -7.860 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.004 -9.298 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.759 -9.701 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.949 -8.443 -8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.952 -10.257 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.216 -11.198 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.053 -9.516 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.567 -8.961 -9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.134 -10.634 -11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.317 -11.217 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.122 -11.754 -10.389 1.00 0.00 H new ATOM 381 N LYS A 23 -4.210 -5.523 -6.403 1.00 0.00 N ATOM 382 CA LYS A 23 -4.777 -4.485 -7.247 1.00 0.00 C ATOM 383 C LYS A 23 -3.646 -3.690 -7.879 1.00 0.00 C ATOM 384 O LYS A 23 -2.595 -3.502 -7.266 1.00 0.00 O ATOM 385 CB LYS A 23 -5.685 -3.559 -6.438 1.00 0.00 C ATOM 386 CG LYS A 23 -6.798 -4.286 -5.702 1.00 0.00 C ATOM 387 CD LYS A 23 -8.035 -4.434 -6.574 1.00 0.00 C ATOM 388 CE LYS A 23 -9.306 -4.457 -5.739 1.00 0.00 C ATOM 389 NZ LYS A 23 -9.750 -3.087 -5.365 1.00 0.00 N ATOM 0 H LYS A 23 -3.872 -5.191 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.383 -4.950 -8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.080 -3.012 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.126 -2.821 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.449 -5.271 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.054 -3.739 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.081 -3.609 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.964 -5.353 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.098 -4.955 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.136 -5.043 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.619 -3.147 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.005 -2.620 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.937 -2.535 -6.227 1.00 0.00 H new ATOM 403 N TYR A 24 -3.847 -3.240 -9.106 1.00 0.00 N ATOM 404 CA TYR A 24 -2.815 -2.487 -9.800 1.00 0.00 C ATOM 405 C TYR A 24 -2.562 -1.142 -9.136 1.00 0.00 C ATOM 406 O TYR A 24 -3.322 -0.191 -9.319 1.00 0.00 O ATOM 407 CB TYR A 24 -3.170 -2.283 -11.269 1.00 0.00 C ATOM 408 CG TYR A 24 -1.958 -2.299 -12.173 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.767 -1.703 -11.775 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.999 -2.913 -13.417 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.347 -1.719 -12.588 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.887 -2.933 -14.238 1.00 0.00 C ATOM 413 CZ TYR A 24 0.284 -2.334 -13.820 1.00 0.00 C ATOM 414 OH TYR A 24 1.392 -2.353 -14.635 1.00 0.00 O ATOM 0 H TYR A 24 -4.706 -3.381 -9.638 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.900 -3.076 -9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.862 -3.065 -11.583 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.690 -1.332 -11.384 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.713 -1.218 -10.811 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.913 -3.382 -13.749 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.264 -1.252 -12.261 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.934 -3.416 -15.203 1.00 0.00 H new ATOM 0 HH TYR A 24 1.892 -1.517 -14.527 1.00 0.00 H new ATOM 424 N VAL A 25 -1.475 -1.068 -8.378 1.00 0.00 N ATOM 425 CA VAL A 25 -1.097 0.162 -7.698 1.00 0.00 C ATOM 426 C VAL A 25 0.050 0.839 -8.434 1.00 0.00 C ATOM 427 O VAL A 25 1.084 0.224 -8.689 1.00 0.00 O ATOM 428 CB VAL A 25 -0.667 -0.091 -6.239 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.580 1.221 -5.475 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.626 -1.053 -5.555 1.00 0.00 C ATOM 0 H VAL A 25 -0.838 -1.849 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.977 0.805 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 25 0.322 -0.549 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.275 1.024 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.152 1.872 -5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.555 1.709 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.304 -1.218 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.630 -0.629 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.632 -2.003 -6.090 1.00 0.00 H new ATOM 440 N ILE A 26 -0.138 2.105 -8.774 1.00 0.00 N ATOM 441 CA ILE A 26 0.888 2.857 -9.478 1.00 0.00 C ATOM 442 C ILE A 26 1.123 4.202 -8.805 1.00 0.00 C ATOM 443 O ILE A 26 0.237 5.056 -8.773 1.00 0.00 O ATOM 444 CB ILE A 26 0.508 3.082 -10.957 1.00 0.00 C ATOM 445 CG1 ILE A 26 -0.120 1.814 -11.542 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.731 3.489 -11.767 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.494 1.942 -13.003 1.00 0.00 C ATOM 0 H ILE A 26 -0.989 2.631 -8.574 1.00 0.00 H new ATOM 0 HA ILE A 26 1.805 2.268 -9.441 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.223 3.889 -11.007 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.579 0.986 -11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.012 1.562 -10.968 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.444 3.643 -12.807 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.143 4.414 -11.363 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.483 2.702 -11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.933 1.006 -13.350 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.217 2.749 -13.124 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.398 2.163 -13.589 1.00 0.00 H new ATOM 459 N VAL A 27 2.320 4.377 -8.258 1.00 0.00 N ATOM 460 CA VAL A 27 2.669 5.614 -7.576 1.00 0.00 C ATOM 461 C VAL A 27 3.316 6.604 -8.537 1.00 0.00 C ATOM 462 O VAL A 27 4.481 6.453 -8.906 1.00 0.00 O ATOM 463 CB VAL A 27 3.632 5.356 -6.401 1.00 0.00 C ATOM 464 CG1 VAL A 27 3.812 6.616 -5.571 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.126 4.207 -5.538 1.00 0.00 C ATOM 0 H VAL A 27 3.063 3.678 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 27 1.741 6.036 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 27 4.604 5.075 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.495 6.414 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.223 7.408 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.847 6.931 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.819 4.039 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.142 4.456 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.055 3.302 -6.142 1.00 0.00 H new ATOM 475 N SER A 28 2.557 7.616 -8.937 1.00 0.00 N ATOM 476 CA SER A 28 3.059 8.631 -9.855 1.00 0.00 C ATOM 477 C SER A 28 3.941 9.636 -9.123 1.00 0.00 C ATOM 478 O SER A 28 3.885 9.751 -7.899 1.00 0.00 O ATOM 479 CB SER A 28 1.895 9.355 -10.533 1.00 0.00 C ATOM 480 OG SER A 28 0.755 9.390 -9.692 1.00 0.00 O ATOM 0 H SER A 28 1.591 7.756 -8.640 1.00 0.00 H new ATOM 0 HA SER A 28 3.660 8.133 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.194 10.372 -10.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.646 8.853 -11.468 1.00 0.00 H new ATOM 0 HG SER A 28 0.026 9.860 -10.148 1.00 0.00 H new ATOM 486 N SER A 29 4.756 10.363 -9.880 1.00 0.00 N ATOM 487 CA SER A 29 5.648 11.361 -9.299 1.00 0.00 C ATOM 488 C SER A 29 4.875 12.331 -8.408 1.00 0.00 C ATOM 489 O SER A 29 4.108 13.160 -8.898 1.00 0.00 O ATOM 490 CB SER A 29 6.373 12.131 -10.404 1.00 0.00 C ATOM 491 OG SER A 29 7.621 11.533 -10.707 1.00 0.00 O ATOM 0 H SER A 29 4.818 10.281 -10.895 1.00 0.00 H new ATOM 0 HA SER A 29 6.384 10.841 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.752 12.159 -11.300 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.527 13.164 -10.091 1.00 0.00 H new ATOM 0 HG SER A 29 8.064 12.043 -11.417 1.00 0.00 H new ATOM 497 N LYS A 30 5.084 12.218 -7.100 1.00 0.00 N ATOM 498 CA LYS A 30 4.407 13.080 -6.137 1.00 0.00 C ATOM 499 C LYS A 30 2.903 12.817 -6.131 1.00 0.00 C ATOM 500 O LYS A 30 2.104 13.737 -5.955 1.00 0.00 O ATOM 501 CB LYS A 30 4.678 14.553 -6.452 1.00 0.00 C ATOM 502 CG LYS A 30 6.156 14.892 -6.547 1.00 0.00 C ATOM 503 CD LYS A 30 6.784 15.038 -5.170 1.00 0.00 C ATOM 504 CE LYS A 30 6.753 16.480 -4.692 1.00 0.00 C ATOM 505 NZ LYS A 30 6.461 16.577 -3.236 1.00 0.00 N ATOM 0 H LYS A 30 5.718 11.537 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 30 4.802 12.851 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.194 14.810 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.221 15.171 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.674 14.111 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.282 15.819 -7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.253 14.406 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.815 14.686 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.713 16.952 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.997 17.031 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.615 17.554 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.472 16.307 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.092 15.938 -2.712 1.00 0.00 H new ATOM 519 N LYS A 31 2.526 11.557 -6.321 1.00 0.00 N ATOM 520 CA LYS A 31 1.118 11.175 -6.335 1.00 0.00 C ATOM 521 C LYS A 31 0.966 9.656 -6.331 1.00 0.00 C ATOM 522 O LYS A 31 1.820 8.935 -6.844 1.00 0.00 O ATOM 523 CB LYS A 31 0.418 11.767 -7.559 1.00 0.00 C ATOM 524 CG LYS A 31 -1.069 11.462 -7.617 1.00 0.00 C ATOM 525 CD LYS A 31 -1.824 12.158 -6.496 1.00 0.00 C ATOM 526 CE LYS A 31 -1.840 13.667 -6.687 1.00 0.00 C ATOM 527 NZ LYS A 31 -2.487 14.058 -7.969 1.00 0.00 N ATOM 0 H LYS A 31 3.175 10.784 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 31 0.651 11.571 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.559 12.848 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.895 11.383 -8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.470 11.780 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.224 10.385 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.847 11.784 -6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.361 11.916 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.370 14.132 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.818 14.046 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.738 15.067 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.828 13.890 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.347 13.491 -8.111 1.00 0.00 H new ATOM 541 N ILE A 32 -0.129 9.178 -5.750 1.00 0.00 N ATOM 542 CA ILE A 32 -0.396 7.745 -5.682 1.00 0.00 C ATOM 543 C ILE A 32 -1.681 7.396 -6.422 1.00 0.00 C ATOM 544 O ILE A 32 -2.723 8.013 -6.202 1.00 0.00 O ATOM 545 CB ILE A 32 -0.508 7.261 -4.224 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.628 7.842 -3.378 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.492 5.741 -4.168 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.428 7.659 -1.889 1.00 0.00 C ATOM 0 H ILE A 32 -0.846 9.761 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 32 0.446 7.241 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.455 7.612 -3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.566 7.370 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.724 8.906 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.572 5.414 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.333 5.347 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.441 5.371 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.271 8.095 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.493 8.155 -1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.362 6.596 -1.659 1.00 0.00 H new ATOM 560 N LEU A 33 -1.601 6.404 -7.305 1.00 0.00 N ATOM 561 CA LEU A 33 -2.760 5.978 -8.081 1.00 0.00 C ATOM 562 C LEU A 33 -3.110 4.522 -7.793 1.00 0.00 C ATOM 563 O LEU A 33 -2.240 3.712 -7.473 1.00 0.00 O ATOM 564 CB LEU A 33 -2.491 6.161 -9.577 1.00 0.00 C ATOM 565 CG LEU A 33 -1.790 7.466 -9.954 1.00 0.00 C ATOM 566 CD1 LEU A 33 -1.125 7.338 -11.316 1.00 0.00 C ATOM 567 CD2 LEU A 33 -2.778 8.624 -9.946 1.00 0.00 C ATOM 0 H LEU A 33 -0.747 5.882 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.607 6.599 -7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.883 5.326 -9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.440 6.109 -10.110 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.018 7.670 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.631 8.276 -11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.388 6.536 -11.287 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.879 7.111 -12.069 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.261 9.545 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.573 8.429 -10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.208 8.729 -8.950 1.00 0.00 H new ATOM 579 N PHE A 34 -4.394 4.199 -7.911 1.00 0.00 N ATOM 580 CA PHE A 34 -4.872 2.843 -7.668 1.00 0.00 C ATOM 581 C PHE A 34 -5.865 2.422 -8.746 1.00 0.00 C ATOM 582 O PHE A 34 -6.803 3.155 -9.062 1.00 0.00 O ATOM 583 CB PHE A 34 -5.528 2.750 -6.288 1.00 0.00 C ATOM 584 CG PHE A 34 -4.729 1.955 -5.294 1.00 0.00 C ATOM 585 CD1 PHE A 34 -3.666 2.533 -4.620 1.00 0.00 C ATOM 586 CD2 PHE A 34 -5.045 0.631 -5.033 1.00 0.00 C ATOM 587 CE1 PHE A 34 -2.930 1.804 -3.704 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.312 -0.102 -4.119 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.253 0.486 -3.454 1.00 0.00 C ATOM 0 H PHE A 34 -5.124 4.861 -8.174 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.017 2.168 -7.700 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.679 3.757 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.514 2.298 -6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.409 3.564 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.873 0.167 -5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.103 2.266 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.567 -1.133 -3.925 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.679 -0.085 -2.740 1.00 0.00 H new ATOM 599 N TYR A 35 -5.654 1.237 -9.307 1.00 0.00 N ATOM 600 CA TYR A 35 -6.530 0.717 -10.350 1.00 0.00 C ATOM 601 C TYR A 35 -6.818 -0.764 -10.132 1.00 0.00 C ATOM 602 O TYR A 35 -6.195 -1.412 -9.291 1.00 0.00 O ATOM 603 CB TYR A 35 -5.900 0.925 -11.729 1.00 0.00 C ATOM 604 CG TYR A 35 -5.347 2.315 -11.942 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.067 2.648 -11.512 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.101 3.294 -12.575 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.557 3.918 -11.707 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.597 4.566 -12.773 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.326 4.873 -12.339 1.00 0.00 C ATOM 610 OH TYR A 35 -3.820 6.138 -12.534 1.00 0.00 O ATOM 0 H TYR A 35 -4.883 0.618 -9.057 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.471 1.264 -10.301 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.098 0.200 -11.865 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.648 0.720 -12.495 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.462 1.902 -11.018 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.097 3.058 -12.918 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.561 4.161 -11.366 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.197 5.316 -13.266 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.487 6.690 -12.994 1.00 0.00 H new ATOM 620 N ASP A 36 -7.762 -1.293 -10.902 1.00 0.00 N ATOM 621 CA ASP A 36 -8.131 -2.701 -10.801 1.00 0.00 C ATOM 622 C ASP A 36 -7.637 -3.481 -12.017 1.00 0.00 C ATOM 623 O ASP A 36 -7.455 -4.696 -11.954 1.00 0.00 O ATOM 624 CB ASP A 36 -9.649 -2.844 -10.670 1.00 0.00 C ATOM 625 CG ASP A 36 -10.047 -4.085 -9.897 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.755 -5.202 -10.375 1.00 0.00 O ATOM 627 OD2 ASP A 36 -10.650 -3.942 -8.813 1.00 0.00 O ATOM 0 H ASP A 36 -8.286 -0.769 -11.603 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.657 -3.113 -9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.053 -1.963 -10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.095 -2.880 -11.664 1.00 0.00 H new ATOM 632 N SER A 37 -7.421 -2.773 -13.123 1.00 0.00 N ATOM 633 CA SER A 37 -6.949 -3.399 -14.352 1.00 0.00 C ATOM 634 C SER A 37 -6.129 -2.416 -15.181 1.00 0.00 C ATOM 635 O SER A 37 -6.030 -1.236 -14.843 1.00 0.00 O ATOM 636 CB SER A 37 -8.132 -3.915 -15.175 1.00 0.00 C ATOM 637 OG SER A 37 -8.977 -4.741 -14.391 1.00 0.00 O ATOM 0 H SER A 37 -7.566 -1.766 -13.192 1.00 0.00 H new ATOM 0 HA SER A 37 -6.311 -4.240 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.702 -3.072 -15.566 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.764 -4.476 -16.034 1.00 0.00 H new ATOM 0 HG SER A 37 -9.726 -5.057 -14.939 1.00 0.00 H new ATOM 643 N GLU A 38 -5.543 -2.909 -16.267 1.00 0.00 N ATOM 644 CA GLU A 38 -4.732 -2.073 -17.144 1.00 0.00 C ATOM 645 C GLU A 38 -5.614 -1.200 -18.031 1.00 0.00 C ATOM 646 O GLU A 38 -5.265 -0.061 -18.342 1.00 0.00 O ATOM 647 CB GLU A 38 -3.815 -2.941 -18.008 1.00 0.00 C ATOM 648 CG GLU A 38 -2.437 -3.159 -17.405 1.00 0.00 C ATOM 649 CD GLU A 38 -2.164 -4.616 -17.083 1.00 0.00 C ATOM 650 OE1 GLU A 38 -3.012 -5.246 -16.417 1.00 0.00 O ATOM 651 OE2 GLU A 38 -1.100 -5.126 -17.497 1.00 0.00 O ATOM 0 H GLU A 38 -5.615 -3.883 -16.561 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.119 -1.422 -16.520 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.290 -3.909 -18.168 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.704 -2.475 -18.987 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.679 -2.796 -18.099 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.345 -2.566 -16.495 1.00 0.00 H new ATOM 658 N GLN A 39 -6.757 -1.743 -18.437 1.00 0.00 N ATOM 659 CA GLN A 39 -7.689 -1.015 -19.290 1.00 0.00 C ATOM 660 C GLN A 39 -8.218 0.229 -18.583 1.00 0.00 C ATOM 661 O GLN A 39 -8.181 1.329 -19.132 1.00 0.00 O ATOM 662 CB GLN A 39 -8.855 -1.919 -19.695 1.00 0.00 C ATOM 663 CG GLN A 39 -8.479 -2.961 -20.735 1.00 0.00 C ATOM 664 CD GLN A 39 -7.683 -4.111 -20.148 1.00 0.00 C ATOM 665 OE1 GLN A 39 -6.595 -4.436 -20.625 1.00 0.00 O ATOM 666 NE2 GLN A 39 -8.222 -4.733 -19.106 1.00 0.00 N ATOM 0 H GLN A 39 -7.060 -2.685 -18.189 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.152 -0.701 -20.185 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.239 -2.424 -18.808 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.664 -1.302 -20.086 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.386 -3.351 -21.198 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.897 -2.487 -21.525 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.126 -4.430 -18.743 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.732 -5.513 -18.668 1.00 0.00 H new ATOM 675 N ASP A 40 -8.708 0.044 -17.361 1.00 0.00 N ATOM 676 CA ASP A 40 -9.243 1.153 -16.579 1.00 0.00 C ATOM 677 C ASP A 40 -8.166 2.200 -16.311 1.00 0.00 C ATOM 678 O ASP A 40 -8.467 3.372 -16.086 1.00 0.00 O ATOM 679 CB ASP A 40 -9.813 0.641 -15.255 1.00 0.00 C ATOM 680 CG ASP A 40 -11.070 1.382 -14.842 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.846 1.779 -15.737 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.279 1.566 -13.624 1.00 0.00 O ATOM 0 H ASP A 40 -8.746 -0.861 -16.892 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.042 1.620 -17.155 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.034 -0.422 -15.345 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.060 0.745 -14.474 1.00 0.00 H new ATOM 687 N LYS A 41 -6.908 1.768 -16.339 1.00 0.00 N ATOM 688 CA LYS A 41 -5.786 2.667 -16.100 1.00 0.00 C ATOM 689 C LYS A 41 -5.609 3.635 -17.267 1.00 0.00 C ATOM 690 O LYS A 41 -5.559 4.850 -17.075 1.00 0.00 O ATOM 691 CB LYS A 41 -4.503 1.866 -15.885 1.00 0.00 C ATOM 692 CG LYS A 41 -3.548 2.500 -14.886 1.00 0.00 C ATOM 693 CD LYS A 41 -2.777 3.652 -15.509 1.00 0.00 C ATOM 694 CE LYS A 41 -1.570 3.159 -16.289 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.324 3.977 -17.509 1.00 0.00 N ATOM 0 H LYS A 41 -6.642 0.801 -16.525 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.998 3.246 -15.201 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.763 0.865 -15.541 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.992 1.752 -16.841 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.108 2.860 -14.023 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.849 1.748 -14.521 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.434 4.215 -16.172 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.451 4.337 -14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.688 3.188 -15.649 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.723 2.118 -16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.492 3.608 -18.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.155 3.930 -18.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.152 4.966 -17.235 1.00 0.00 H new ATOM 709 N GLU A 42 -5.517 3.086 -18.473 1.00 0.00 N ATOM 710 CA GLU A 42 -5.347 3.900 -19.671 1.00 0.00 C ATOM 711 C GLU A 42 -6.571 4.782 -19.916 1.00 0.00 C ATOM 712 O GLU A 42 -6.492 5.779 -20.633 1.00 0.00 O ATOM 713 CB GLU A 42 -5.097 3.006 -20.888 1.00 0.00 C ATOM 714 CG GLU A 42 -3.771 2.266 -20.838 1.00 0.00 C ATOM 715 CD GLU A 42 -2.715 2.903 -21.719 1.00 0.00 C ATOM 716 OE1 GLU A 42 -2.778 2.712 -22.952 1.00 0.00 O ATOM 717 OE2 GLU A 42 -1.826 3.593 -21.177 1.00 0.00 O ATOM 0 H GLU A 42 -5.557 2.082 -18.647 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.483 4.547 -19.518 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.906 2.280 -20.967 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.128 3.617 -21.790 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.413 2.239 -19.809 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.924 1.233 -21.149 1.00 0.00 H new ATOM 724 N GLN A 43 -7.700 4.408 -19.318 1.00 0.00 N ATOM 725 CA GLN A 43 -8.935 5.168 -19.476 1.00 0.00 C ATOM 726 C GLN A 43 -9.024 6.309 -18.462 1.00 0.00 C ATOM 727 O GLN A 43 -10.055 6.974 -18.358 1.00 0.00 O ATOM 728 CB GLN A 43 -10.146 4.244 -19.328 1.00 0.00 C ATOM 729 CG GLN A 43 -10.647 3.683 -20.648 1.00 0.00 C ATOM 730 CD GLN A 43 -10.055 2.325 -20.967 1.00 0.00 C ATOM 731 OE1 GLN A 43 -10.702 1.294 -20.783 1.00 0.00 O ATOM 732 NE2 GLN A 43 -8.818 2.317 -21.449 1.00 0.00 N ATOM 0 H GLN A 43 -7.784 3.585 -18.721 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.932 5.604 -20.475 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.883 3.417 -18.668 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.955 4.793 -18.846 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.734 3.603 -20.615 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.403 4.379 -21.450 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.318 3.196 -21.586 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.367 1.432 -21.683 1.00 0.00 H new ATOM 741 N SER A 44 -7.945 6.534 -17.717 1.00 0.00 N ATOM 742 CA SER A 44 -7.916 7.598 -16.719 1.00 0.00 C ATOM 743 C SER A 44 -8.983 7.373 -15.652 1.00 0.00 C ATOM 744 O SER A 44 -9.545 8.326 -15.113 1.00 0.00 O ATOM 745 CB SER A 44 -8.123 8.959 -17.385 1.00 0.00 C ATOM 746 OG SER A 44 -7.317 9.953 -16.776 1.00 0.00 O ATOM 0 H SER A 44 -7.082 5.995 -17.785 1.00 0.00 H new ATOM 0 HA SER A 44 -6.938 7.583 -16.238 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.880 8.889 -18.445 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.173 9.245 -17.316 1.00 0.00 H new ATOM 0 HG SER A 44 -7.467 10.813 -17.221 1.00 0.00 H new ATOM 752 N ASN A 45 -9.252 6.108 -15.349 1.00 0.00 N ATOM 753 CA ASN A 45 -10.250 5.760 -14.343 1.00 0.00 C ATOM 754 C ASN A 45 -9.584 5.166 -13.104 1.00 0.00 C ATOM 755 O ASN A 45 -9.617 3.954 -12.889 1.00 0.00 O ATOM 756 CB ASN A 45 -11.268 4.773 -14.924 1.00 0.00 C ATOM 757 CG ASN A 45 -12.684 5.315 -14.887 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.378 5.197 -13.878 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.120 5.911 -15.990 1.00 0.00 N ATOM 0 H ASN A 45 -8.794 5.307 -15.784 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.772 6.670 -14.048 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.998 4.540 -15.954 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.225 3.839 -14.364 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.065 6.293 -16.024 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.510 5.987 -16.804 1.00 0.00 H new ATOM 766 N PRO A 46 -8.961 6.017 -12.269 1.00 0.00 N ATOM 767 CA PRO A 46 -8.281 5.571 -11.050 1.00 0.00 C ATOM 768 C PRO A 46 -9.256 5.193 -9.941 1.00 0.00 C ATOM 769 O PRO A 46 -9.992 6.039 -9.433 1.00 0.00 O ATOM 770 CB PRO A 46 -7.458 6.793 -10.643 1.00 0.00 C ATOM 771 CG PRO A 46 -8.222 7.954 -11.178 1.00 0.00 C ATOM 772 CD PRO A 46 -8.869 7.478 -12.451 1.00 0.00 C ATOM 0 HA PRO A 46 -7.688 4.673 -11.220 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.349 6.855 -9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.453 6.752 -11.063 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.972 8.290 -10.462 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.562 8.800 -11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.852 7.927 -12.593 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.271 7.736 -13.325 1.00 0.00 H new ATOM 780 N TYR A 47 -9.254 3.917 -9.567 1.00 0.00 N ATOM 781 CA TYR A 47 -10.132 3.426 -8.513 1.00 0.00 C ATOM 782 C TYR A 47 -9.899 4.195 -7.216 1.00 0.00 C ATOM 783 O TYR A 47 -10.823 4.407 -6.431 1.00 0.00 O ATOM 784 CB TYR A 47 -9.899 1.931 -8.285 1.00 0.00 C ATOM 785 CG TYR A 47 -10.838 1.316 -7.272 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.125 0.933 -7.631 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.437 1.115 -5.957 1.00 0.00 C ATOM 788 CE1 TYR A 47 -12.984 0.369 -6.708 1.00 0.00 C ATOM 789 CE2 TYR A 47 -11.290 0.551 -5.029 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.563 0.180 -5.408 1.00 0.00 C ATOM 791 OH TYR A 47 -13.415 -0.381 -4.486 1.00 0.00 O ATOM 0 H TYR A 47 -8.653 3.204 -9.980 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.164 3.581 -8.827 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.009 1.406 -9.234 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.872 1.779 -7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.459 1.079 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.441 1.405 -5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.981 0.077 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.962 0.401 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.963 -0.445 -3.619 1.00 0.00 H new ATOM 801 N MET A 48 -8.655 4.610 -7.003 1.00 0.00 N ATOM 802 CA MET A 48 -8.286 5.359 -5.808 1.00 0.00 C ATOM 803 C MET A 48 -6.998 6.138 -6.041 1.00 0.00 C ATOM 804 O MET A 48 -6.147 5.723 -6.827 1.00 0.00 O ATOM 805 CB MET A 48 -8.117 4.413 -4.616 1.00 0.00 C ATOM 806 CG MET A 48 -8.563 5.015 -3.294 1.00 0.00 C ATOM 807 SD MET A 48 -7.194 5.721 -2.356 1.00 0.00 S ATOM 808 CE MET A 48 -6.272 4.244 -1.937 1.00 0.00 C ATOM 0 H MET A 48 -7.882 4.439 -7.646 1.00 0.00 H new ATOM 0 HA MET A 48 -9.086 6.065 -5.587 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.687 3.503 -4.802 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.069 4.123 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 48 -9.306 5.790 -3.484 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.051 4.246 -2.695 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.088 4.222 -0.863 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.846 3.363 -2.224 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.320 4.246 -2.468 1.00 0.00 H new ATOM 818 N VAL A 49 -6.859 7.270 -5.360 1.00 0.00 N ATOM 819 CA VAL A 49 -5.671 8.101 -5.506 1.00 0.00 C ATOM 820 C VAL A 49 -5.300 8.775 -4.188 1.00 0.00 C ATOM 821 O VAL A 49 -6.149 9.370 -3.523 1.00 0.00 O ATOM 822 CB VAL A 49 -5.870 9.178 -6.592 1.00 0.00 C ATOM 823 CG1 VAL A 49 -7.003 10.119 -6.214 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.579 9.950 -6.827 1.00 0.00 C ATOM 0 H VAL A 49 -7.551 7.632 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.858 7.440 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.140 8.679 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.127 10.871 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.927 9.551 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.768 10.610 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.741 10.705 -7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.272 10.436 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.798 9.263 -7.152 1.00 0.00 H new ATOM 834 N LEU A 50 -4.027 8.679 -3.820 1.00 0.00 N ATOM 835 CA LEU A 50 -3.538 9.279 -2.584 1.00 0.00 C ATOM 836 C LEU A 50 -2.417 10.274 -2.874 1.00 0.00 C ATOM 837 O LEU A 50 -1.742 10.180 -3.897 1.00 0.00 O ATOM 838 CB LEU A 50 -3.037 8.194 -1.629 1.00 0.00 C ATOM 839 CG LEU A 50 -4.102 7.605 -0.702 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.843 6.126 -0.461 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.139 8.364 0.616 1.00 0.00 C ATOM 0 H LEU A 50 -3.314 8.190 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.364 9.812 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.602 7.386 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.236 8.610 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.074 7.707 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.611 5.725 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.868 5.593 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.864 5.999 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.902 7.932 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.167 8.294 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.375 9.411 0.426 1.00 0.00 H new ATOM 853 N ASP A 51 -2.226 11.225 -1.966 1.00 0.00 N ATOM 854 CA ASP A 51 -1.187 12.235 -2.127 1.00 0.00 C ATOM 855 C ASP A 51 0.084 11.834 -1.385 1.00 0.00 C ATOM 856 O ASP A 51 0.047 11.520 -0.195 1.00 0.00 O ATOM 857 CB ASP A 51 -1.682 13.590 -1.618 1.00 0.00 C ATOM 858 CG ASP A 51 -2.527 14.319 -2.645 1.00 0.00 C ATOM 859 OD1 ASP A 51 -1.974 14.726 -3.688 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.741 14.482 -2.407 1.00 0.00 O ATOM 0 H ASP A 51 -2.776 11.317 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.955 12.315 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.266 13.443 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.826 14.209 -1.350 1.00 0.00 H new ATOM 865 N ILE A 52 1.208 11.851 -2.096 1.00 0.00 N ATOM 866 CA ILE A 52 2.492 11.493 -1.504 1.00 0.00 C ATOM 867 C ILE A 52 2.827 12.411 -0.333 1.00 0.00 C ATOM 868 O ILE A 52 3.330 11.962 0.697 1.00 0.00 O ATOM 869 CB ILE A 52 3.629 11.560 -2.546 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.306 10.662 -3.743 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.960 11.165 -1.917 1.00 0.00 C ATOM 872 CD1 ILE A 52 3.355 9.183 -3.427 1.00 0.00 C ATOM 0 H ILE A 52 1.255 12.109 -3.082 1.00 0.00 H new ATOM 0 HA ILE A 52 2.405 10.468 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 52 3.715 12.588 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.312 10.912 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.011 10.876 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.748 11.219 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.192 11.846 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.893 10.147 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.115 8.611 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.355 8.917 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.630 8.954 -2.646 1.00 0.00 H new ATOM 884 N ASP A 53 2.544 13.699 -0.500 1.00 0.00 N ATOM 885 CA ASP A 53 2.814 14.682 0.542 1.00 0.00 C ATOM 886 C ASP A 53 1.918 14.448 1.753 1.00 0.00 C ATOM 887 O ASP A 53 2.303 14.729 2.888 1.00 0.00 O ATOM 888 CB ASP A 53 2.605 16.098 0.004 1.00 0.00 C ATOM 889 CG ASP A 53 2.965 17.163 1.021 1.00 0.00 C ATOM 890 OD1 ASP A 53 3.710 16.847 1.973 1.00 0.00 O ATOM 891 OD2 ASP A 53 2.504 18.314 0.865 1.00 0.00 O ATOM 0 H ASP A 53 2.128 14.086 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 53 3.853 14.570 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.210 16.236 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.563 16.221 -0.293 1.00 0.00 H new ATOM 896 N LYS A 54 0.718 13.933 1.504 1.00 0.00 N ATOM 897 CA LYS A 54 -0.235 13.662 2.575 1.00 0.00 C ATOM 898 C LYS A 54 0.251 12.523 3.467 1.00 0.00 C ATOM 899 O LYS A 54 -0.135 12.431 4.632 1.00 0.00 O ATOM 900 CB LYS A 54 -1.606 13.318 1.990 1.00 0.00 C ATOM 901 CG LYS A 54 -2.458 14.539 1.683 1.00 0.00 C ATOM 902 CD LYS A 54 -3.940 14.238 1.834 1.00 0.00 C ATOM 903 CE LYS A 54 -4.600 13.994 0.486 1.00 0.00 C ATOM 904 NZ LYS A 54 -6.057 13.716 0.624 1.00 0.00 N ATOM 0 H LYS A 54 0.382 13.695 0.571 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.321 14.562 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.468 12.742 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.141 12.678 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.181 15.354 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.256 14.878 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.071 13.361 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.432 15.071 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.455 14.866 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.115 13.153 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.470 13.555 -0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.195 12.869 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.525 14.529 1.073 1.00 0.00 H new ATOM 918 N LEU A 55 1.100 11.658 2.917 1.00 0.00 N ATOM 919 CA LEU A 55 1.635 10.528 3.671 1.00 0.00 C ATOM 920 C LEU A 55 2.266 10.996 4.978 1.00 0.00 C ATOM 921 O LEU A 55 2.828 12.090 5.052 1.00 0.00 O ATOM 922 CB LEU A 55 2.670 9.771 2.835 1.00 0.00 C ATOM 923 CG LEU A 55 2.149 9.178 1.522 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.154 8.190 0.951 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.801 8.502 1.732 1.00 0.00 C ATOM 0 H LEU A 55 1.431 11.718 1.954 1.00 0.00 H new ATOM 0 HA LEU A 55 0.808 9.858 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.493 10.448 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.081 8.963 3.441 1.00 0.00 H new ATOM 0 HG LEU A 55 2.016 9.992 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.769 7.778 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.098 8.701 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.316 7.383 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.450 8.088 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.906 7.700 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.080 9.233 2.098 1.00 0.00 H new ATOM 937 N PHE A 56 2.166 10.164 6.009 1.00 0.00 N ATOM 938 CA PHE A 56 2.724 10.497 7.313 1.00 0.00 C ATOM 939 C PHE A 56 3.933 9.625 7.632 1.00 0.00 C ATOM 940 O PHE A 56 4.941 10.112 8.144 1.00 0.00 O ATOM 941 CB PHE A 56 1.661 10.330 8.400 1.00 0.00 C ATOM 942 CG PHE A 56 0.835 11.563 8.622 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.441 12.804 8.737 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.544 11.483 8.713 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.684 13.943 8.938 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.305 12.617 8.916 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.691 13.849 9.028 1.00 0.00 C ATOM 0 H PHE A 56 1.704 9.255 5.966 1.00 0.00 H new ATOM 0 HA PHE A 56 3.050 11.537 7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.002 9.505 8.130 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.149 10.055 9.335 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.516 12.882 8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.030 10.523 8.624 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.167 14.905 9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.380 12.541 8.987 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.285 14.737 9.186 1.00 0.00 H new ATOM 957 N HIS A 57 3.827 8.336 7.328 1.00 0.00 N ATOM 958 CA HIS A 57 4.917 7.404 7.588 1.00 0.00 C ATOM 959 C HIS A 57 4.646 6.045 6.949 1.00 0.00 C ATOM 960 O HIS A 57 3.570 5.472 7.118 1.00 0.00 O ATOM 961 CB HIS A 57 5.122 7.238 9.095 1.00 0.00 C ATOM 962 CG HIS A 57 6.558 7.101 9.496 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.581 6.920 8.588 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.141 7.121 10.718 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.730 6.833 9.235 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.491 6.951 10.528 1.00 0.00 N ATOM 0 H HIS A 57 3.001 7.915 6.903 1.00 0.00 H new ATOM 0 HA HIS A 57 5.823 7.816 7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.691 8.098 9.608 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.574 6.358 9.432 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.638 7.247 11.666 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.700 6.690 8.783 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.194 6.921 11.266 1.00 0.00 H new ATOM 975 N VAL A 58 5.633 5.535 6.221 1.00 0.00 N ATOM 976 CA VAL A 58 5.509 4.241 5.560 1.00 0.00 C ATOM 977 C VAL A 58 6.552 3.263 6.088 1.00 0.00 C ATOM 978 O VAL A 58 7.747 3.562 6.094 1.00 0.00 O ATOM 979 CB VAL A 58 5.670 4.369 4.034 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.318 3.057 3.349 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.814 5.509 3.498 1.00 0.00 C ATOM 0 H VAL A 58 6.529 5.999 6.073 1.00 0.00 H new ATOM 0 HA VAL A 58 4.510 3.865 5.779 1.00 0.00 H new ATOM 0 HB VAL A 58 6.713 4.598 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.437 3.166 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.980 2.269 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.284 2.794 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.942 5.583 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.766 5.316 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.121 6.445 3.965 1.00 0.00 H new ATOM 991 N ARG A 59 6.100 2.096 6.535 1.00 0.00 N ATOM 992 CA ARG A 59 7.007 1.085 7.067 1.00 0.00 C ATOM 993 C ARG A 59 6.341 -0.288 7.109 1.00 0.00 C ATOM 994 O ARG A 59 5.116 -0.393 7.179 1.00 0.00 O ATOM 995 CB ARG A 59 7.472 1.480 8.470 1.00 0.00 C ATOM 996 CG ARG A 59 6.335 1.635 9.467 1.00 0.00 C ATOM 997 CD ARG A 59 6.662 0.975 10.798 1.00 0.00 C ATOM 998 NE ARG A 59 7.030 1.954 11.817 1.00 0.00 N ATOM 999 CZ ARG A 59 7.563 1.634 12.995 1.00 0.00 C ATOM 1000 NH1 ARG A 59 7.792 0.364 13.304 1.00 0.00 N ATOM 1001 NH2 ARG A 59 7.868 2.587 13.866 1.00 0.00 N ATOM 0 H ARG A 59 5.116 1.828 6.540 1.00 0.00 H new ATOM 0 HA ARG A 59 7.870 1.026 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.167 0.726 8.839 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.022 2.419 8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.132 2.694 9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.427 1.194 9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.800 0.402 11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.481 0.269 10.661 1.00 0.00 H new ATOM 0 HE ARG A 59 6.869 2.941 11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.560 -0.373 12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.200 0.125 14.208 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.694 3.565 13.634 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.276 2.342 14.768 1.00 0.00 H new ATOM 1015 N PRO A 60 7.146 -1.365 7.071 1.00 0.00 N ATOM 1016 CA PRO A 60 6.633 -2.739 7.109 1.00 0.00 C ATOM 1017 C PRO A 60 5.897 -3.044 8.408 1.00 0.00 C ATOM 1018 O PRO A 60 6.153 -2.423 9.439 1.00 0.00 O ATOM 1019 CB PRO A 60 7.895 -3.603 6.996 1.00 0.00 C ATOM 1020 CG PRO A 60 9.012 -2.713 7.420 1.00 0.00 C ATOM 1021 CD PRO A 60 8.617 -1.330 6.991 1.00 0.00 C ATOM 0 HA PRO A 60 5.907 -2.921 6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.828 -4.484 7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.040 -3.959 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.162 -2.760 8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.950 -3.014 6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 60 9.039 -0.568 7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.961 -1.107 5.981 1.00 0.00 H new ATOM 1029 N VAL A 61 4.981 -4.005 8.352 1.00 0.00 N ATOM 1030 CA VAL A 61 4.208 -4.389 9.526 1.00 0.00 C ATOM 1031 C VAL A 61 4.853 -5.569 10.246 1.00 0.00 C ATOM 1032 O VAL A 61 5.855 -6.116 9.788 1.00 0.00 O ATOM 1033 CB VAL A 61 2.758 -4.756 9.153 1.00 0.00 C ATOM 1034 CG1 VAL A 61 2.054 -3.571 8.510 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.726 -5.968 8.230 1.00 0.00 C ATOM 0 H VAL A 61 4.756 -4.531 7.507 1.00 0.00 H new ATOM 0 HA VAL A 61 4.193 -3.525 10.191 1.00 0.00 H new ATOM 0 HB VAL A 61 2.226 -5.014 10.069 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.032 -3.850 8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.038 -2.735 9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.587 -3.278 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.692 -6.208 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.277 -5.744 7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.185 -6.820 8.732 1.00 0.00 H new ATOM 1045 N THR A 62 4.267 -5.956 11.375 1.00 0.00 N ATOM 1046 CA THR A 62 4.783 -7.072 12.159 1.00 0.00 C ATOM 1047 C THR A 62 3.673 -8.068 12.480 1.00 0.00 C ATOM 1048 O THR A 62 2.553 -7.942 11.985 1.00 0.00 O ATOM 1049 CB THR A 62 5.416 -6.563 13.456 1.00 0.00 C ATOM 1050 OG1 THR A 62 4.428 -6.032 14.321 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.457 -5.487 13.231 1.00 0.00 C ATOM 0 H THR A 62 3.436 -5.514 11.767 1.00 0.00 H new ATOM 0 HA THR A 62 5.544 -7.579 11.566 1.00 0.00 H new ATOM 0 HB THR A 62 5.904 -7.431 13.900 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.859 -5.641 15.110 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.866 -5.170 14.190 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.259 -5.881 12.607 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.996 -4.634 12.733 1.00 0.00 H new ATOM 1059 N GLN A 63 3.992 -9.056 13.309 1.00 0.00 N ATOM 1060 CA GLN A 63 3.019 -10.071 13.696 1.00 0.00 C ATOM 1061 C GLN A 63 1.893 -9.470 14.537 1.00 0.00 C ATOM 1062 O GLN A 63 0.866 -10.111 14.758 1.00 0.00 O ATOM 1063 CB GLN A 63 3.705 -11.196 14.472 1.00 0.00 C ATOM 1064 CG GLN A 63 2.857 -12.451 14.596 1.00 0.00 C ATOM 1065 CD GLN A 63 2.980 -13.359 13.389 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.929 -14.136 13.274 1.00 0.00 O ATOM 1067 NE2 GLN A 63 2.018 -13.265 12.477 1.00 0.00 N ATOM 0 H GLN A 63 4.915 -9.176 13.725 1.00 0.00 H new ATOM 0 HA GLN A 63 2.583 -10.478 12.784 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.643 -11.448 13.978 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.957 -10.837 15.470 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.154 -12.999 15.490 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.813 -12.168 14.728 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.250 -12.608 12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.048 -13.850 11.642 1.00 0.00 H new ATOM 1076 N THR A 64 2.088 -8.240 15.006 1.00 0.00 N ATOM 1077 CA THR A 64 1.084 -7.566 15.819 1.00 0.00 C ATOM 1078 C THR A 64 0.004 -6.935 14.944 1.00 0.00 C ATOM 1079 O THR A 64 -1.128 -6.737 15.387 1.00 0.00 O ATOM 1080 CB THR A 64 1.741 -6.496 16.691 1.00 0.00 C ATOM 1081 OG1 THR A 64 2.332 -5.489 15.889 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.813 -7.044 17.606 1.00 0.00 C ATOM 0 H THR A 64 2.931 -7.692 14.836 1.00 0.00 H new ATOM 0 HA THR A 64 0.613 -8.311 16.461 1.00 0.00 H new ATOM 0 HB THR A 64 0.937 -6.090 17.305 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.093 -5.866 15.399 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.238 -6.232 18.196 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.377 -7.788 18.273 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.598 -7.508 17.009 1.00 0.00 H new ATOM 1090 N ASP A 65 0.359 -6.616 13.702 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.583 -6.004 12.772 1.00 0.00 C ATOM 1092 C ASP A 65 -1.768 -6.929 12.506 1.00 0.00 C ATOM 1093 O ASP A 65 -2.900 -6.472 12.346 1.00 0.00 O ATOM 1094 CB ASP A 65 0.119 -5.665 11.455 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.676 -4.687 10.612 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.021 -3.602 11.126 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.954 -5.007 9.437 1.00 0.00 O ATOM 0 H ASP A 65 1.291 -6.771 13.318 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.958 -5.086 13.225 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.101 -5.242 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.282 -6.581 10.887 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.501 -8.230 12.458 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.544 -9.216 12.211 1.00 0.00 C ATOM 1104 C VAL A 66 -2.295 -10.487 13.014 1.00 0.00 C ATOM 1105 O VAL A 66 -1.278 -10.618 13.692 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.643 -9.579 10.717 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -3.477 -8.548 9.974 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -1.258 -9.705 10.099 1.00 0.00 C ATOM 0 H VAL A 66 -0.570 -8.625 12.587 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.484 -8.763 12.526 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.138 -10.546 10.630 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.537 -8.819 8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.481 -8.517 10.398 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.012 -7.567 10.070 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.352 -9.962 9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.729 -8.757 10.196 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.699 -10.487 10.614 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.232 -11.421 12.928 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.120 -12.685 13.644 1.00 0.00 C ATOM 1120 C TYR A 67 -3.415 -13.858 12.717 1.00 0.00 C ATOM 1121 O TYR A 67 -2.625 -14.798 12.616 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.077 -12.706 14.838 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.480 -12.254 14.500 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -5.779 -10.906 14.353 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.504 -13.177 14.330 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.060 -10.490 14.046 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -7.788 -12.769 14.022 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.061 -11.425 13.882 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.338 -11.014 13.576 1.00 0.00 O ATOM 0 H TYR A 67 -4.080 -11.327 12.369 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.097 -12.781 14.009 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.118 -13.718 15.242 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.678 -12.065 15.624 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.998 -10.171 14.481 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.293 -14.231 14.440 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.277 -9.438 13.935 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.573 -13.499 13.892 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.922 -11.796 13.493 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.555 -13.796 12.036 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.951 -14.852 11.112 1.00 0.00 C ATOM 1141 C ARG A 68 -3.985 -14.929 9.930 1.00 0.00 C ATOM 1142 O ARG A 68 -3.861 -15.970 9.285 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.375 -14.610 10.607 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.514 -13.364 9.745 1.00 0.00 C ATOM 1145 CD ARG A 68 -7.452 -12.347 10.376 1.00 0.00 C ATOM 1146 NE ARG A 68 -8.806 -12.874 10.534 1.00 0.00 N ATOM 1147 CZ ARG A 68 -9.885 -12.112 10.699 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -9.773 -10.789 10.732 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -11.078 -12.674 10.835 1.00 0.00 N ATOM 0 H ARG A 68 -5.220 -13.026 12.107 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.920 -15.801 11.648 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.699 -15.477 10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.045 -14.526 11.462 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.533 -12.912 9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.888 -13.643 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.063 -12.050 11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.482 -11.450 9.758 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.932 -13.886 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.857 -10.352 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.603 -10.210 10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.169 -13.690 10.813 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.905 -12.091 10.961 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.303 -13.820 9.656 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.348 -13.760 8.556 1.00 0.00 C ATOM 1165 C ALA A 69 -1.276 -14.836 8.697 1.00 0.00 C ATOM 1166 O ALA A 69 -1.396 -15.741 9.523 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.709 -12.381 8.493 1.00 0.00 C ATOM 0 H ALA A 69 -3.395 -12.951 10.182 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.888 -13.945 7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.997 -12.347 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.482 -11.629 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.189 -12.178 9.429 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.230 -14.732 7.885 1.00 0.00 N ATOM 1174 CA ASP A 70 0.864 -15.698 7.920 1.00 0.00 C ATOM 1175 C ASP A 70 2.190 -15.006 8.218 1.00 0.00 C ATOM 1176 O ASP A 70 2.494 -13.956 7.652 1.00 0.00 O ATOM 1177 CB ASP A 70 0.950 -16.451 6.589 1.00 0.00 C ATOM 1178 CG ASP A 70 0.627 -17.925 6.737 1.00 0.00 C ATOM 1179 OD1 ASP A 70 1.366 -18.624 7.463 1.00 0.00 O ATOM 1180 OD2 ASP A 70 -0.363 -18.381 6.127 1.00 0.00 O ATOM 0 H ASP A 70 -0.116 -13.990 7.195 1.00 0.00 H new ATOM 0 HA ASP A 70 0.662 -16.412 8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.261 -16.001 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.953 -16.341 6.177 1.00 0.00 H new ATOM 1185 N ALA A 71 2.976 -15.602 9.109 1.00 0.00 N ATOM 1186 CA ALA A 71 4.271 -15.046 9.486 1.00 0.00 C ATOM 1187 C ALA A 71 5.117 -14.721 8.257 1.00 0.00 C ATOM 1188 O ALA A 71 5.948 -13.812 8.286 1.00 0.00 O ATOM 1189 CB ALA A 71 5.015 -16.012 10.396 1.00 0.00 C ATOM 0 H ALA A 71 2.738 -16.472 9.585 1.00 0.00 H new ATOM 0 HA ALA A 71 4.091 -14.116 10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.980 -15.584 10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.428 -16.189 11.297 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.171 -16.956 9.874 1.00 0.00 H new ATOM 1195 N LYS A 72 4.899 -15.468 7.180 1.00 0.00 N ATOM 1196 CA LYS A 72 5.640 -15.257 5.943 1.00 0.00 C ATOM 1197 C LYS A 72 5.131 -14.021 5.207 1.00 0.00 C ATOM 1198 O LYS A 72 5.888 -13.348 4.508 1.00 0.00 O ATOM 1199 CB LYS A 72 5.524 -16.486 5.038 1.00 0.00 C ATOM 1200 CG LYS A 72 5.979 -17.775 5.705 1.00 0.00 C ATOM 1201 CD LYS A 72 4.896 -18.840 5.663 1.00 0.00 C ATOM 1202 CE LYS A 72 4.844 -19.634 6.959 1.00 0.00 C ATOM 1203 NZ LYS A 72 5.565 -20.932 6.845 1.00 0.00 N ATOM 0 H LYS A 72 4.216 -16.224 7.139 1.00 0.00 H new ATOM 0 HA LYS A 72 6.688 -15.100 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.487 -16.597 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.117 -16.322 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.875 -18.146 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.251 -17.573 6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.929 -18.370 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.081 -19.516 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.283 -19.044 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.805 -19.819 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.506 -21.442 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.130 -21.506 6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.563 -20.755 6.612 1.00 0.00 H new ATOM 1217 N GLU A 73 3.845 -13.729 5.372 1.00 0.00 N ATOM 1218 CA GLU A 73 3.233 -12.574 4.724 1.00 0.00 C ATOM 1219 C GLU A 73 3.548 -11.288 5.484 1.00 0.00 C ATOM 1220 O GLU A 73 3.635 -10.213 4.891 1.00 0.00 O ATOM 1221 CB GLU A 73 1.719 -12.762 4.623 1.00 0.00 C ATOM 1222 CG GLU A 73 1.309 -14.140 4.130 1.00 0.00 C ATOM 1223 CD GLU A 73 1.801 -14.426 2.725 1.00 0.00 C ATOM 1224 OE1 GLU A 73 1.347 -13.737 1.786 1.00 0.00 O ATOM 1225 OE2 GLU A 73 2.638 -15.337 2.562 1.00 0.00 O ATOM 0 H GLU A 73 3.206 -14.276 5.949 1.00 0.00 H new ATOM 0 HA GLU A 73 3.650 -12.491 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.273 -12.588 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.312 -12.008 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.701 -14.897 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.222 -14.222 4.154 1.00 0.00 H new ATOM 1232 N ILE A 74 3.714 -11.404 6.798 1.00 0.00 N ATOM 1233 CA ILE A 74 4.013 -10.248 7.638 1.00 0.00 C ATOM 1234 C ILE A 74 5.165 -9.416 7.065 1.00 0.00 C ATOM 1235 O ILE A 74 5.025 -8.208 6.876 1.00 0.00 O ATOM 1236 CB ILE A 74 4.360 -10.666 9.083 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.277 -11.589 9.650 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.527 -9.438 9.966 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.872 -11.039 9.509 1.00 0.00 C ATOM 0 H ILE A 74 3.647 -12.287 7.305 1.00 0.00 H new ATOM 0 HA ILE A 74 3.109 -9.639 7.654 1.00 0.00 H new ATOM 0 HB ILE A 74 5.304 -11.211 9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.333 -12.553 9.144 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.482 -11.770 10.705 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.771 -9.750 10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.331 -8.815 9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.598 -8.868 9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.160 -11.747 9.933 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.798 -10.089 10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.646 -10.884 8.454 1.00 0.00 H new ATOM 1251 N PRO A 75 6.321 -10.045 6.780 1.00 0.00 N ATOM 1252 CA PRO A 75 7.482 -9.337 6.228 1.00 0.00 C ATOM 1253 C PRO A 75 7.231 -8.812 4.816 1.00 0.00 C ATOM 1254 O PRO A 75 7.987 -7.980 4.312 1.00 0.00 O ATOM 1255 CB PRO A 75 8.582 -10.401 6.212 1.00 0.00 C ATOM 1256 CG PRO A 75 7.856 -11.700 6.181 1.00 0.00 C ATOM 1257 CD PRO A 75 6.594 -11.483 6.967 1.00 0.00 C ATOM 0 HA PRO A 75 7.732 -8.456 6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.228 -10.288 5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.219 -10.325 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.632 -11.998 5.157 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.458 -12.495 6.620 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.776 -12.100 6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.727 -11.734 8.019 1.00 0.00 H new ATOM 1265 N ARG A 76 6.170 -9.301 4.180 1.00 0.00 N ATOM 1266 CA ARG A 76 5.830 -8.875 2.825 1.00 0.00 C ATOM 1267 C ARG A 76 4.646 -7.909 2.824 1.00 0.00 C ATOM 1268 O ARG A 76 4.077 -7.617 1.772 1.00 0.00 O ATOM 1269 CB ARG A 76 5.509 -10.091 1.956 1.00 0.00 C ATOM 1270 CG ARG A 76 6.518 -11.221 2.093 1.00 0.00 C ATOM 1271 CD ARG A 76 6.400 -12.218 0.951 1.00 0.00 C ATOM 1272 NE ARG A 76 5.726 -13.447 1.366 1.00 0.00 N ATOM 1273 CZ ARG A 76 5.828 -14.604 0.716 1.00 0.00 C ATOM 1274 NH1 ARG A 76 6.572 -14.696 -0.379 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.184 -15.673 1.164 1.00 0.00 N ATOM 0 H ARG A 76 5.533 -9.990 4.579 1.00 0.00 H new ATOM 0 HA ARG A 76 6.693 -8.353 2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.520 -10.465 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.464 -9.780 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.527 -10.808 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.364 -11.734 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.850 -11.763 0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.395 -12.459 0.575 1.00 0.00 H new ATOM 0 HE ARG A 76 5.143 -13.416 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.070 -13.877 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.646 -15.586 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.611 -15.608 2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.261 -16.560 0.667 1.00 0.00 H new ATOM 1289 N ILE A 77 4.278 -7.413 4.002 1.00 0.00 N ATOM 1290 CA ILE A 77 3.163 -6.481 4.123 1.00 0.00 C ATOM 1291 C ILE A 77 3.618 -5.165 4.747 1.00 0.00 C ATOM 1292 O ILE A 77 4.153 -5.144 5.856 1.00 0.00 O ATOM 1293 CB ILE A 77 2.020 -7.080 4.970 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.478 -8.348 4.308 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.901 -6.064 5.166 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.871 -9.333 5.285 1.00 0.00 C ATOM 0 H ILE A 77 4.735 -7.641 4.885 1.00 0.00 H new ATOM 0 HA ILE A 77 2.792 -6.291 3.116 1.00 0.00 H new ATOM 0 HB ILE A 77 2.420 -7.339 5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.724 -8.069 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.287 -8.839 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.107 -6.509 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.293 -5.185 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.502 -5.771 4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.508 -10.206 4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.627 -9.642 6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.040 -8.861 5.809 1.00 0.00 H new ATOM 1308 N PHE A 78 3.400 -4.066 4.029 1.00 0.00 N ATOM 1309 CA PHE A 78 3.786 -2.748 4.519 1.00 0.00 C ATOM 1310 C PHE A 78 2.573 -1.833 4.642 1.00 0.00 C ATOM 1311 O PHE A 78 1.642 -1.906 3.838 1.00 0.00 O ATOM 1312 CB PHE A 78 4.833 -2.115 3.596 1.00 0.00 C ATOM 1313 CG PHE A 78 4.449 -2.117 2.143 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.549 -3.272 1.384 1.00 0.00 C ATOM 1315 CD2 PHE A 78 3.993 -0.958 1.534 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.202 -3.271 0.046 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.644 -0.951 0.196 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.749 -2.109 -0.548 1.00 0.00 C ATOM 0 H PHE A 78 2.959 -4.063 3.109 1.00 0.00 H new ATOM 0 HA PHE A 78 4.222 -2.874 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.008 -1.087 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.776 -2.650 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.902 -4.184 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.909 -0.049 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.285 -4.178 -0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.290 -0.041 -0.266 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.477 -2.107 -1.593 1.00 0.00 H new ATOM 1328 N GLN A 79 2.586 -0.979 5.660 1.00 0.00 N ATOM 1329 CA GLN A 79 1.484 -0.053 5.900 1.00 0.00 C ATOM 1330 C GLN A 79 1.893 1.383 5.589 1.00 0.00 C ATOM 1331 O GLN A 79 3.001 1.812 5.917 1.00 0.00 O ATOM 1332 CB GLN A 79 1.015 -0.160 7.353 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.137 0.771 7.694 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.188 1.117 9.170 1.00 0.00 C ATOM 1335 OE1 GLN A 79 0.404 2.104 9.608 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -0.898 0.305 9.946 1.00 0.00 N ATOM 0 H GLN A 79 3.349 -0.909 6.333 1.00 0.00 H new ATOM 0 HA GLN A 79 0.664 -0.324 5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.711 -1.188 7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.854 0.058 8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.043 1.688 7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.077 0.303 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.373 -0.502 9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.968 0.488 10.947 1.00 0.00 H new ATOM 1345 N ILE A 80 0.986 2.123 4.957 1.00 0.00 N ATOM 1346 CA ILE A 80 1.241 3.514 4.601 1.00 0.00 C ATOM 1347 C ILE A 80 0.175 4.435 5.191 1.00 0.00 C ATOM 1348 O ILE A 80 -0.990 4.380 4.798 1.00 0.00 O ATOM 1349 CB ILE A 80 1.276 3.706 3.070 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.244 2.708 2.429 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.670 5.134 2.722 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.680 2.021 1.205 1.00 0.00 C ATOM 0 H ILE A 80 0.066 1.781 4.681 1.00 0.00 H new ATOM 0 HA ILE A 80 2.215 3.773 5.015 1.00 0.00 H new ATOM 0 HB ILE A 80 0.278 3.520 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.161 3.229 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.516 1.953 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.690 5.252 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.944 5.826 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.658 5.348 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.420 1.328 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.779 1.471 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.434 2.767 0.450 1.00 0.00 H new ATOM 1364 N LEU A 81 0.582 5.281 6.134 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.344 6.212 6.771 1.00 0.00 C ATOM 1366 C LEU A 81 -0.439 7.512 5.983 1.00 0.00 C ATOM 1367 O LEU A 81 0.565 8.034 5.501 1.00 0.00 O ATOM 1368 CB LEU A 81 0.094 6.509 8.208 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.770 7.536 8.946 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.991 6.868 9.554 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.041 8.245 10.019 1.00 0.00 C ATOM 0 H LEU A 81 1.542 5.341 6.472 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.328 5.743 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.089 5.577 8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.124 6.866 8.192 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.109 8.280 8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.592 7.614 10.074 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.586 6.409 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.672 6.102 10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.590 8.971 10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.411 7.514 10.738 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.884 8.759 9.558 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.655 8.033 5.864 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.886 9.278 5.146 1.00 0.00 C ATOM 1385 C TYR A 82 -3.063 10.033 5.749 1.00 0.00 C ATOM 1386 O TYR A 82 -3.957 9.434 6.346 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.144 9.002 3.663 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.083 7.843 3.412 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -4.394 7.872 3.870 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -2.657 6.719 2.715 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -5.253 6.814 3.642 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -3.511 5.657 2.482 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.807 5.710 2.947 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.659 4.655 2.720 1.00 0.00 O ATOM 0 H TYR A 82 -2.496 7.611 6.257 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.992 9.895 5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.558 9.899 3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.193 8.800 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.748 8.736 4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.642 6.674 2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.269 6.852 4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.164 4.791 1.938 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.580 4.985 2.660 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.057 11.351 5.592 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.126 12.185 6.125 1.00 0.00 C ATOM 1406 C ALA A 83 -5.368 12.116 5.242 1.00 0.00 C ATOM 1407 O ALA A 83 -5.321 12.456 4.061 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.654 13.625 6.264 1.00 0.00 C ATOM 0 H ALA A 83 -2.325 11.864 5.101 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.392 11.805 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.463 14.236 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.801 13.665 6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.359 14.007 5.287 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.480 11.676 5.823 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.732 11.567 5.087 1.00 0.00 C ATOM 1416 C ASN A 84 -8.591 12.810 5.296 1.00 0.00 C ATOM 1417 O ASN A 84 -9.173 13.345 4.352 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.498 10.307 5.518 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.232 10.484 6.835 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -8.568 10.151 7.933 1.00 0.00 O flip ATOM 1421 ND2 ASN A 84 -10.385 10.914 6.863 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.538 11.390 6.800 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.499 11.487 4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.215 10.040 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.799 9.475 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.859 11.158 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.866 11.026 7.755 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.658 13.266 6.542 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.439 14.449 6.884 1.00 0.00 C ATOM 1430 C GLU A 85 -8.567 15.487 7.583 1.00 0.00 C ATOM 1431 O GLU A 85 -8.663 16.682 7.303 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.617 14.065 7.782 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.788 13.464 7.024 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.742 12.706 7.927 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -12.647 12.868 9.161 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.586 11.952 7.398 1.00 0.00 O ATOM 0 H GLU A 85 -8.180 12.834 7.333 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.823 14.884 5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.275 13.351 8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.958 14.950 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.332 14.259 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.410 12.791 6.254 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.716 15.021 8.490 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.837 15.918 9.214 1.00 0.00 C ATOM 1445 C GLY A 86 -5.506 15.275 9.549 1.00 0.00 C ATOM 1446 O GLY A 86 -4.607 15.222 8.710 1.00 0.00 O ATOM 0 H GLY A 86 -7.620 14.036 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.665 16.814 8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.326 16.237 10.135 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.376 14.788 10.779 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.143 14.147 11.220 1.00 0.00 C ATOM 1452 C ILE A 87 -4.437 12.886 12.025 1.00 0.00 C ATOM 1453 O ILE A 87 -4.116 11.776 11.600 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.282 15.094 12.081 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.416 16.540 11.596 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.826 14.657 12.050 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.538 17.302 12.267 1.00 0.00 C ATOM 0 H ILE A 87 -6.109 14.825 11.487 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.590 13.886 10.318 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.640 15.044 13.109 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.476 17.063 11.773 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.582 16.539 10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.230 15.334 12.662 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.742 13.644 12.443 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.461 14.679 11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.573 18.318 11.874 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.486 16.803 12.068 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.363 17.334 13.342 1.00 0.00 H new ATOM 1469 N SER A 88 -5.047 13.066 13.193 1.00 0.00 N ATOM 1470 CA SER A 88 -5.382 11.945 14.064 1.00 0.00 C ATOM 1471 C SER A 88 -6.279 10.938 13.351 1.00 0.00 C ATOM 1472 O SER A 88 -6.204 9.736 13.607 1.00 0.00 O ATOM 1473 CB SER A 88 -6.072 12.448 15.333 1.00 0.00 C ATOM 1474 OG SER A 88 -6.602 11.373 16.087 1.00 0.00 O ATOM 0 H SER A 88 -5.319 13.979 13.558 1.00 0.00 H new ATOM 0 HA SER A 88 -4.453 11.443 14.334 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.360 13.006 15.941 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.872 13.138 15.066 1.00 0.00 H new ATOM 0 HG SER A 88 -7.036 11.722 16.893 1.00 0.00 H new ATOM 1480 N SER A 89 -7.129 11.433 12.458 1.00 0.00 N ATOM 1481 CA SER A 89 -8.041 10.571 11.712 1.00 0.00 C ATOM 1482 C SER A 89 -7.324 9.865 10.564 1.00 0.00 C ATOM 1483 O SER A 89 -7.818 8.870 10.036 1.00 0.00 O ATOM 1484 CB SER A 89 -9.216 11.384 11.167 1.00 0.00 C ATOM 1485 OG SER A 89 -10.007 11.909 12.218 1.00 0.00 O ATOM 0 H SER A 89 -7.206 12.425 12.233 1.00 0.00 H new ATOM 0 HA SER A 89 -8.416 9.812 12.399 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.841 12.199 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.831 10.753 10.525 1.00 0.00 H new ATOM 0 HG SER A 89 -10.750 12.426 11.842 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.157 10.386 10.181 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.366 9.811 9.091 1.00 0.00 C ATOM 1493 C ALA A 90 -5.397 8.285 9.110 1.00 0.00 C ATOM 1494 O ALA A 90 -4.991 7.656 10.087 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.932 10.308 9.173 1.00 0.00 C ATOM 0 H ALA A 90 -5.737 11.209 10.612 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.810 10.136 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.350 9.876 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.918 11.395 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.498 10.010 10.127 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.883 7.697 8.021 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.968 6.246 7.908 1.00 0.00 C ATOM 1503 C LYS A 91 -4.683 5.672 7.328 1.00 0.00 C ATOM 1504 O LYS A 91 -3.730 6.404 7.059 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.159 5.850 7.034 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.476 6.463 7.483 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.833 6.041 8.901 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.286 5.607 9.005 1.00 0.00 C ATOM 1509 NZ LYS A 91 -11.175 6.730 9.410 1.00 0.00 N ATOM 0 H LYS A 91 -6.224 8.204 7.204 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.109 5.835 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.960 6.151 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.254 4.764 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.409 7.550 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.271 6.160 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.185 5.222 9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.650 6.870 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.616 5.212 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.372 4.797 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.157 6.392 9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.877 7.091 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.114 7.493 8.706 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.662 4.358 7.137 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.489 3.684 6.589 1.00 0.00 C ATOM 1525 C ASN A 92 -3.888 2.690 5.503 1.00 0.00 C ATOM 1526 O ASN A 92 -5.065 2.373 5.339 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.713 2.965 7.697 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.617 2.386 8.771 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.551 1.533 8.367 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.475 2.703 9.953 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.443 3.738 7.353 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.846 4.443 6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.120 2.163 7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.013 3.664 8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.744 3.362 10.220 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.088 2.306 10.665 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.896 2.202 4.764 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.139 1.242 3.693 1.00 0.00 C ATOM 1539 C LEU A 93 -2.177 0.064 3.793 1.00 0.00 C ATOM 1540 O LEU A 93 -0.959 0.244 3.799 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.995 1.923 2.329 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.201 1.775 1.399 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.304 2.971 0.463 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -4.104 0.481 0.606 1.00 0.00 C ATOM 0 H LEU A 93 -1.916 2.456 4.888 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.157 0.865 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.807 2.985 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.117 1.516 1.828 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.104 1.739 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.167 2.848 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.420 3.883 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.399 3.040 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.969 0.391 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.193 0.489 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.080 -0.365 1.292 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.728 -1.142 3.868 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.913 -2.348 3.964 1.00 0.00 C ATOM 1558 C LEU A 94 -1.779 -3.016 2.601 1.00 0.00 C ATOM 1559 O LEU A 94 -2.778 -3.363 1.971 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.530 -3.324 4.968 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.343 -2.949 6.440 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -0.931 -3.274 6.899 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.650 -1.475 6.658 1.00 0.00 C ATOM 0 H LEU A 94 -3.734 -1.311 3.864 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.919 -2.064 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.597 -3.405 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.098 -4.311 4.803 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.041 -3.537 7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.817 -3.000 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.747 -4.342 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.215 -2.713 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.512 -1.226 7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.977 -0.870 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.681 -1.272 6.370 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.542 -3.184 2.148 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.282 -3.799 0.856 1.00 0.00 C ATOM 1577 C LEU A 95 0.637 -5.007 0.991 1.00 0.00 C ATOM 1578 O LEU A 95 1.770 -4.891 1.459 1.00 0.00 O ATOM 1579 CB LEU A 95 0.333 -2.768 -0.085 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.515 -1.513 -0.294 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.155 -0.578 -1.280 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.908 -1.889 -0.775 1.00 0.00 C ATOM 0 H LEU A 95 0.295 -2.902 2.658 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.229 -4.149 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.306 -2.472 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.509 -3.238 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.608 -0.995 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.462 0.310 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.132 -0.285 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.278 -1.085 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.500 -0.985 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.834 -2.428 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.391 -2.524 -0.032 1.00 0.00 H new ATOM 1594 N LEU A 96 0.140 -6.165 0.572 1.00 0.00 N ATOM 1595 CA LEU A 96 0.909 -7.401 0.638 1.00 0.00 C ATOM 1596 C LEU A 96 1.650 -7.639 -0.676 1.00 0.00 C ATOM 1597 O LEU A 96 1.038 -7.713 -1.740 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.019 -8.583 0.954 1.00 0.00 C ATOM 1599 CG LEU A 96 0.560 -9.976 0.683 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.413 -10.436 1.854 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.561 -10.971 0.416 1.00 0.00 C ATOM 0 H LEU A 96 -0.796 -6.273 0.181 1.00 0.00 H new ATOM 0 HA LEU A 96 1.646 -7.313 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.303 -8.526 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.932 -8.470 0.370 1.00 0.00 H new ATOM 0 HG LEU A 96 1.194 -9.922 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.816 -11.427 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.234 -9.735 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.802 -10.477 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.135 -11.956 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.217 -11.021 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.134 -10.649 -0.453 1.00 0.00 H new ATOM 1613 N ALA A 97 2.970 -7.759 -0.591 1.00 0.00 N ATOM 1614 CA ALA A 97 3.793 -7.989 -1.770 1.00 0.00 C ATOM 1615 C ALA A 97 4.075 -9.476 -1.958 1.00 0.00 C ATOM 1616 O ALA A 97 4.378 -10.186 -0.999 1.00 0.00 O ATOM 1617 CB ALA A 97 5.097 -7.212 -1.664 1.00 0.00 C ATOM 0 H ALA A 97 3.492 -7.701 0.283 1.00 0.00 H new ATOM 0 HA ALA A 97 3.243 -7.636 -2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.702 -7.394 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.880 -6.147 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.644 -7.538 -0.780 1.00 0.00 H new ATOM 1623 N ASN A 98 3.975 -9.940 -3.200 1.00 0.00 N ATOM 1624 CA ASN A 98 4.220 -11.343 -3.518 1.00 0.00 C ATOM 1625 C ASN A 98 5.568 -11.801 -2.968 1.00 0.00 C ATOM 1626 O ASN A 98 5.751 -12.973 -2.642 1.00 0.00 O ATOM 1627 CB ASN A 98 4.175 -11.566 -5.031 1.00 0.00 C ATOM 1628 CG ASN A 98 3.000 -10.871 -5.689 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.899 -11.418 -5.755 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.229 -9.659 -6.179 1.00 0.00 N ATOM 0 H ASN A 98 3.726 -9.364 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 98 3.434 -11.934 -3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.102 -11.203 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.120 -12.635 -5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.476 -9.142 -6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.158 -9.245 -6.102 1.00 0.00 H new ATOM 1637 N SER A 99 6.507 -10.866 -2.866 1.00 0.00 N ATOM 1638 CA SER A 99 7.836 -11.172 -2.354 1.00 0.00 C ATOM 1639 C SER A 99 8.294 -10.105 -1.365 1.00 0.00 C ATOM 1640 O SER A 99 7.897 -8.944 -1.462 1.00 0.00 O ATOM 1641 CB SER A 99 8.837 -11.282 -3.506 1.00 0.00 C ATOM 1642 OG SER A 99 9.011 -12.632 -3.903 1.00 0.00 O ATOM 0 H SER A 99 6.371 -9.891 -3.131 1.00 0.00 H new ATOM 0 HA SER A 99 7.788 -12.128 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.487 -10.693 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.796 -10.863 -3.200 1.00 0.00 H new ATOM 0 HG SER A 99 9.654 -12.676 -4.641 1.00 0.00 H new ATOM 1648 N THR A 100 9.133 -10.506 -0.416 1.00 0.00 N ATOM 1649 CA THR A 100 9.646 -9.584 0.590 1.00 0.00 C ATOM 1650 C THR A 100 10.364 -8.409 -0.064 1.00 0.00 C ATOM 1651 O THR A 100 10.168 -7.257 0.321 1.00 0.00 O ATOM 1652 CB THR A 100 10.602 -10.312 1.537 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.249 -11.679 1.652 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.627 -9.726 2.931 1.00 0.00 C ATOM 0 H THR A 100 9.472 -11.463 -0.323 1.00 0.00 H new ATOM 0 HA THR A 100 8.799 -9.200 1.159 1.00 0.00 H new ATOM 0 HB THR A 100 11.591 -10.195 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.742 -12.201 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.325 -10.290 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.945 -8.684 2.882 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.629 -9.781 3.367 1.00 0.00 H new ATOM 1662 N GLU A 101 11.196 -8.712 -1.055 1.00 0.00 N ATOM 1663 CA GLU A 101 11.948 -7.686 -1.767 1.00 0.00 C ATOM 1664 C GLU A 101 11.025 -6.584 -2.283 1.00 0.00 C ATOM 1665 O GLU A 101 11.371 -5.404 -2.248 1.00 0.00 O ATOM 1666 CB GLU A 101 12.719 -8.308 -2.932 1.00 0.00 C ATOM 1667 CG GLU A 101 13.512 -9.545 -2.542 1.00 0.00 C ATOM 1668 CD GLU A 101 14.567 -9.908 -3.568 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.072 -8.993 -4.250 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.891 -11.109 -3.688 1.00 0.00 O ATOM 0 H GLU A 101 11.367 -9.662 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 101 12.654 -7.240 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.017 -8.571 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.401 -7.564 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.991 -9.376 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.829 -10.385 -2.416 1.00 0.00 H new ATOM 1677 N GLU A 102 9.846 -6.979 -2.758 1.00 0.00 N ATOM 1678 CA GLU A 102 8.873 -6.024 -3.276 1.00 0.00 C ATOM 1679 C GLU A 102 8.484 -5.013 -2.202 1.00 0.00 C ATOM 1680 O GLU A 102 8.402 -3.814 -2.465 1.00 0.00 O ATOM 1681 CB GLU A 102 7.628 -6.757 -3.785 1.00 0.00 C ATOM 1682 CG GLU A 102 7.594 -6.919 -5.296 1.00 0.00 C ATOM 1683 CD GLU A 102 7.894 -8.339 -5.737 1.00 0.00 C ATOM 1684 OE1 GLU A 102 7.016 -9.210 -5.572 1.00 0.00 O ATOM 1685 OE2 GLU A 102 9.010 -8.577 -6.246 1.00 0.00 O ATOM 0 H GLU A 102 9.543 -7.952 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 102 9.331 -5.486 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.581 -7.742 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.740 -6.212 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.612 -6.627 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.319 -6.242 -5.747 1.00 0.00 H new ATOM 1692 N GLN A 103 8.246 -5.507 -0.992 1.00 0.00 N ATOM 1693 CA GLN A 103 7.866 -4.648 0.124 1.00 0.00 C ATOM 1694 C GLN A 103 8.969 -3.642 0.438 1.00 0.00 C ATOM 1695 O GLN A 103 8.695 -2.504 0.818 1.00 0.00 O ATOM 1696 CB GLN A 103 7.560 -5.493 1.364 1.00 0.00 C ATOM 1697 CG GLN A 103 7.228 -4.672 2.600 1.00 0.00 C ATOM 1698 CD GLN A 103 8.367 -4.635 3.599 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.153 -3.566 3.562 1.00 0.00 O flip ATOM 1700 NE2 GLN A 103 8.538 -5.557 4.397 1.00 0.00 N flip ATOM 0 H GLN A 103 8.309 -6.498 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 103 6.970 -4.098 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.723 -6.155 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.419 -6.127 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.980 -3.654 2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.342 -5.087 3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.909 -6.360 4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.308 -5.517 5.065 1.00 0.00 H new ATOM 1709 N GLN A 104 10.218 -4.065 0.272 1.00 0.00 N ATOM 1710 CA GLN A 104 11.359 -3.193 0.539 1.00 0.00 C ATOM 1711 C GLN A 104 11.454 -2.097 -0.516 1.00 0.00 C ATOM 1712 O GLN A 104 11.788 -0.952 -0.211 1.00 0.00 O ATOM 1713 CB GLN A 104 12.669 -3.990 0.572 1.00 0.00 C ATOM 1714 CG GLN A 104 12.515 -5.434 1.030 1.00 0.00 C ATOM 1715 CD GLN A 104 11.707 -5.566 2.305 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.470 -4.586 3.010 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.278 -6.787 2.607 1.00 0.00 N ATOM 0 H GLN A 104 10.466 -5.002 -0.045 1.00 0.00 H new ATOM 0 HA GLN A 104 11.204 -2.737 1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.110 -3.983 -0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.371 -3.484 1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.034 -6.011 0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.503 -5.868 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.498 -7.571 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.729 -6.940 3.453 1.00 0.00 H new ATOM 1726 N LYS A 105 11.163 -2.460 -1.761 1.00 0.00 N ATOM 1727 CA LYS A 105 11.220 -1.512 -2.868 1.00 0.00 C ATOM 1728 C LYS A 105 10.041 -0.546 -2.828 1.00 0.00 C ATOM 1729 O LYS A 105 10.223 0.669 -2.884 1.00 0.00 O ATOM 1730 CB LYS A 105 11.237 -2.259 -4.204 1.00 0.00 C ATOM 1731 CG LYS A 105 11.204 -1.343 -5.418 1.00 0.00 C ATOM 1732 CD LYS A 105 11.301 -2.130 -6.714 1.00 0.00 C ATOM 1733 CE LYS A 105 9.939 -2.635 -7.163 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.045 -3.882 -7.969 1.00 0.00 N ATOM 0 H LYS A 105 10.885 -3.404 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 105 12.139 -0.934 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.132 -2.879 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.381 -2.932 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.281 -0.763 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.028 -0.632 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.731 -1.500 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.977 -2.975 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.315 -2.820 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.442 -1.864 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.094 -4.192 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.619 -3.700 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.495 -4.626 -7.399 1.00 0.00 H new ATOM 1748 N TRP A 106 8.831 -1.092 -2.744 1.00 0.00 N ATOM 1749 CA TRP A 106 7.625 -0.271 -2.713 1.00 0.00 C ATOM 1750 C TRP A 106 7.673 0.755 -1.584 1.00 0.00 C ATOM 1751 O TRP A 106 7.444 1.945 -1.800 1.00 0.00 O ATOM 1752 CB TRP A 106 6.388 -1.147 -2.554 1.00 0.00 C ATOM 1753 CG TRP A 106 5.705 -1.415 -3.854 1.00 0.00 C ATOM 1754 CD1 TRP A 106 5.987 -2.421 -4.721 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.643 -0.658 -4.442 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.152 -2.354 -5.810 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.321 -1.278 -5.664 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.929 0.476 -4.054 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.316 -0.798 -6.499 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.931 0.951 -4.888 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.634 0.315 -6.095 1.00 0.00 C ATOM 0 H TRP A 106 8.660 -2.096 -2.696 1.00 0.00 H new ATOM 0 HA TRP A 106 7.572 0.265 -3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.674 -2.094 -2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.689 -0.662 -1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.756 -3.166 -4.576 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.152 -3.001 -6.598 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.150 0.974 -3.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.084 -1.288 -7.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.372 1.829 -4.600 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.849 0.711 -6.722 1.00 0.00 H new ATOM 1772 N VAL A 107 7.960 0.276 -0.379 1.00 0.00 N ATOM 1773 CA VAL A 107 8.026 1.137 0.796 1.00 0.00 C ATOM 1774 C VAL A 107 9.139 2.174 0.683 1.00 0.00 C ATOM 1775 O VAL A 107 8.913 3.364 0.904 1.00 0.00 O ATOM 1776 CB VAL A 107 8.238 0.304 2.077 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.279 1.197 3.309 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.148 -0.750 2.212 1.00 0.00 C ATOM 0 H VAL A 107 8.151 -0.708 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 107 7.072 1.660 0.853 1.00 0.00 H new ATOM 0 HB VAL A 107 9.200 -0.202 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.429 0.584 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.100 1.908 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.337 1.739 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.312 -1.329 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.175 -0.262 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.176 -1.415 1.348 1.00 0.00 H new ATOM 1788 N SER A 108 10.342 1.719 0.352 1.00 0.00 N ATOM 1789 CA SER A 108 11.491 2.610 0.230 1.00 0.00 C ATOM 1790 C SER A 108 11.318 3.610 -0.911 1.00 0.00 C ATOM 1791 O SER A 108 11.738 4.762 -0.804 1.00 0.00 O ATOM 1792 CB SER A 108 12.768 1.796 0.016 1.00 0.00 C ATOM 1793 OG SER A 108 13.097 1.049 1.174 1.00 0.00 O ATOM 0 H SER A 108 10.548 0.738 0.163 1.00 0.00 H new ATOM 0 HA SER A 108 11.567 3.174 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.636 1.122 -0.830 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.591 2.465 -0.235 1.00 0.00 H new ATOM 0 HG SER A 108 12.760 0.134 1.080 1.00 0.00 H new ATOM 1799 N ARG A 109 10.709 3.168 -2.006 1.00 0.00 N ATOM 1800 CA ARG A 109 10.500 4.037 -3.160 1.00 0.00 C ATOM 1801 C ARG A 109 9.370 5.032 -2.908 1.00 0.00 C ATOM 1802 O ARG A 109 9.549 6.242 -3.057 1.00 0.00 O ATOM 1803 CB ARG A 109 10.195 3.204 -4.406 1.00 0.00 C ATOM 1804 CG ARG A 109 11.438 2.682 -5.107 1.00 0.00 C ATOM 1805 CD ARG A 109 12.040 3.731 -6.028 1.00 0.00 C ATOM 1806 NE ARG A 109 12.942 3.140 -7.015 1.00 0.00 N ATOM 1807 CZ ARG A 109 12.530 2.521 -8.119 1.00 0.00 C ATOM 1808 NH1 ARG A 109 11.233 2.411 -8.381 1.00 0.00 N ATOM 1809 NH2 ARG A 109 13.416 2.011 -8.964 1.00 0.00 N ATOM 0 H ARG A 109 10.353 2.219 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 109 11.419 4.600 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.566 2.360 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.620 3.810 -5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.177 2.381 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.185 1.792 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.240 4.265 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.584 4.466 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 109 13.946 3.206 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.547 2.802 -7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.922 1.936 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 109 14.414 2.093 -8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.100 1.537 -9.810 1.00 0.00 H new ATOM 1823 N LEU A 110 8.205 4.515 -2.533 1.00 0.00 N ATOM 1824 CA LEU A 110 7.045 5.359 -2.269 1.00 0.00 C ATOM 1825 C LEU A 110 7.333 6.358 -1.151 1.00 0.00 C ATOM 1826 O LEU A 110 6.905 7.510 -1.212 1.00 0.00 O ATOM 1827 CB LEU A 110 5.827 4.499 -1.917 1.00 0.00 C ATOM 1828 CG LEU A 110 5.819 3.922 -0.501 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.252 4.935 0.482 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.020 2.627 -0.459 1.00 0.00 C ATOM 0 H LEU A 110 8.039 3.517 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 110 6.826 5.923 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.928 5.100 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.768 3.674 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 110 6.846 3.700 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.253 4.509 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.865 5.836 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.231 5.187 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.024 2.230 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.993 2.823 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.470 1.900 -1.135 1.00 0.00 H new ATOM 1842 N VAL A 111 8.062 5.913 -0.133 1.00 0.00 N ATOM 1843 CA VAL A 111 8.404 6.778 0.989 1.00 0.00 C ATOM 1844 C VAL A 111 9.421 7.832 0.569 1.00 0.00 C ATOM 1845 O VAL A 111 9.307 9.002 0.934 1.00 0.00 O ATOM 1846 CB VAL A 111 8.961 5.972 2.182 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.361 5.451 1.884 1.00 0.00 C ATOM 1848 CG2 VAL A 111 8.958 6.818 3.445 1.00 0.00 C ATOM 0 H VAL A 111 8.426 4.963 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 111 7.484 7.269 1.305 1.00 0.00 H new ATOM 0 HB VAL A 111 8.311 5.112 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.729 4.887 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.329 4.802 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.028 6.291 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.354 6.233 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.580 7.700 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.938 7.128 3.673 1.00 0.00 H new ATOM 1858 N LYS A 112 10.411 7.409 -0.211 1.00 0.00 N ATOM 1859 CA LYS A 112 11.445 8.315 -0.693 1.00 0.00 C ATOM 1860 C LYS A 112 10.823 9.447 -1.502 1.00 0.00 C ATOM 1861 O LYS A 112 11.337 10.565 -1.525 1.00 0.00 O ATOM 1862 CB LYS A 112 12.462 7.557 -1.550 1.00 0.00 C ATOM 1863 CG LYS A 112 13.705 7.133 -0.786 1.00 0.00 C ATOM 1864 CD LYS A 112 14.889 6.931 -1.719 1.00 0.00 C ATOM 1865 CE LYS A 112 15.939 6.023 -1.100 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.365 4.947 -2.038 1.00 0.00 N ATOM 0 H LYS A 112 10.518 6.444 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 112 11.960 8.740 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.984 6.672 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.758 8.186 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.952 7.890 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.504 6.208 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.543 6.501 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.336 7.897 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.806 6.616 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.540 5.575 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.082 4.349 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.542 4.365 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.769 5.374 -2.896 1.00 0.00 H new ATOM 1880 N LYS A 113 9.708 9.147 -2.160 1.00 0.00 N ATOM 1881 CA LYS A 113 9.008 10.139 -2.969 1.00 0.00 C ATOM 1882 C LYS A 113 8.371 11.211 -2.086 1.00 0.00 C ATOM 1883 O LYS A 113 8.113 12.326 -2.536 1.00 0.00 O ATOM 1884 CB LYS A 113 7.937 9.466 -3.829 1.00 0.00 C ATOM 1885 CG LYS A 113 8.506 8.624 -4.959 1.00 0.00 C ATOM 1886 CD LYS A 113 7.406 7.917 -5.738 1.00 0.00 C ATOM 1887 CE LYS A 113 7.229 8.515 -7.125 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.876 7.685 -8.179 1.00 0.00 N ATOM 0 H LYS A 113 9.270 8.226 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 113 9.738 10.618 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.316 8.835 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.286 10.232 -4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.080 9.259 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.197 7.886 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.645 6.857 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.467 7.987 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.166 8.614 -7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.653 9.519 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.731 8.129 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.895 7.611 -7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.454 6.734 -8.180 1.00 0.00 H new ATOM 1902 N ILE A 114 8.120 10.862 -0.826 1.00 0.00 N ATOM 1903 CA ILE A 114 7.514 11.795 0.118 1.00 0.00 C ATOM 1904 C ILE A 114 8.416 13.007 0.348 1.00 0.00 C ATOM 1905 O ILE A 114 9.628 12.866 0.509 1.00 0.00 O ATOM 1906 CB ILE A 114 7.231 11.116 1.473 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.424 9.832 1.266 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.490 12.067 2.403 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.097 9.109 2.555 1.00 0.00 C ATOM 0 H ILE A 114 8.327 9.942 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 114 6.572 12.124 -0.320 1.00 0.00 H new ATOM 0 HB ILE A 114 8.183 10.857 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.495 10.075 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.984 9.161 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.299 11.570 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.097 12.956 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.543 12.356 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.524 8.209 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.022 8.834 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.509 9.763 3.200 1.00 0.00 H new ATOM 1921 N PRO A 115 7.835 14.221 0.366 1.00 0.00 N ATOM 1922 CA PRO A 115 8.597 15.456 0.577 1.00 0.00 C ATOM 1923 C PRO A 115 9.058 15.609 2.023 1.00 0.00 C ATOM 1924 O PRO A 115 10.192 16.012 2.284 1.00 0.00 O ATOM 1925 CB PRO A 115 7.597 16.554 0.216 1.00 0.00 C ATOM 1926 CG PRO A 115 6.263 15.953 0.495 1.00 0.00 C ATOM 1927 CD PRO A 115 6.394 14.487 0.181 1.00 0.00 C ATOM 0 HA PRO A 115 9.510 15.481 -0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.760 17.451 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.689 16.846 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.977 16.105 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.490 16.416 -0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.785 13.878 0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.072 14.264 -0.836 1.00 0.00 H new ATOM 1935 N LYS A 116 8.171 15.285 2.959 1.00 0.00 N ATOM 1936 CA LYS A 116 8.487 15.386 4.379 1.00 0.00 C ATOM 1937 C LYS A 116 8.890 14.028 4.945 1.00 0.00 C ATOM 1938 O LYS A 116 8.574 13.703 6.089 1.00 0.00 O ATOM 1939 CB LYS A 116 7.286 15.937 5.150 1.00 0.00 C ATOM 1940 CG LYS A 116 6.852 17.320 4.694 1.00 0.00 C ATOM 1941 CD LYS A 116 5.460 17.662 5.201 1.00 0.00 C ATOM 1942 CE LYS A 116 4.857 18.827 4.432 1.00 0.00 C ATOM 1943 NZ LYS A 116 4.071 19.728 5.318 1.00 0.00 N ATOM 0 H LYS A 116 7.228 14.950 2.759 1.00 0.00 H new ATOM 0 HA LYS A 116 9.328 16.070 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.448 15.248 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.532 15.974 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.564 18.063 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 116 6.865 17.366 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.813 16.790 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.509 17.911 6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 116 5.653 19.395 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 116 4.213 18.445 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.676 20.509 4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.296 19.192 5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.691 20.113 6.059 1.00 0.00 H new ATOM 1957 N LYS A 117 9.591 13.241 4.136 1.00 0.00 N ATOM 1958 CA LYS A 117 10.038 11.918 4.557 1.00 0.00 C ATOM 1959 C LYS A 117 10.940 12.013 5.784 1.00 0.00 C ATOM 1960 O LYS A 117 12.102 12.444 5.629 1.00 0.00 O ATOM 1961 CB LYS A 117 10.781 11.220 3.417 1.00 0.00 C ATOM 1962 CG LYS A 117 11.120 9.768 3.712 1.00 0.00 C ATOM 1963 CD LYS A 117 12.542 9.427 3.291 1.00 0.00 C ATOM 1964 CE LYS A 117 13.214 8.504 4.293 1.00 0.00 C ATOM 1965 NZ LYS A 117 14.264 7.663 3.656 1.00 0.00 N ATOM 1966 OXT LYS A 117 10.477 11.655 6.887 1.00 0.00 O ATOM 0 H LYS A 117 9.862 13.496 3.186 1.00 0.00 H new ATOM 0 HA LYS A 117 9.157 11.332 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.171 11.266 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.702 11.764 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.000 9.575 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.419 9.117 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 117 12.528 8.952 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.123 10.344 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 117 13.659 9.098 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.464 7.861 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 14.698 7.048 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.835 7.078 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 14.993 8.276 3.238 1.00 0.00 H new TER 1980 LYS A 117