USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1079 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 72 GLN : amide:sc= 0.533 K(o=0.53,f=-0.52) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 58 GLN : amide:sc= -0.058 K(o=0.44,f=-4.3!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ 169:sc= 0.502 (180deg=0) USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0.257 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.292 X(o=0.55,f=0.22) USER MOD Set 4.1: A 29 THR OG1 : rot 33:sc= 0.121! USER MOD Set 4.2: A 33 LYS NZ :NH3+ -179:sc= -0.146! (180deg=0.185) USER MOD Single : A 1 SER N :NH3+ 165:sc= 1.83 (180deg=1.08!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0.977) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00333 USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= -1.62 (180deg=-4.22!) USER MOD Single : A 20 SER OG : rot 171:sc= -2.65! USER MOD Single : A 21 HIS : no HD1:sc= -0.304 K(o=-0.26,f=-2.1) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -14:sc= -5.35! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 22:sc= 0.569 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 1 K(o=1,f=-6.2!) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.161 F(o=-2.3,f=-0.16) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.13) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.704 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0136) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0.487 (180deg=0.295) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.205 K(o=0.21,f=-0.71) USER MOD Single : A 85 THR OG1 : rot 53:sc= -0.121 USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.964) USER MOD Single : A 90 THR OG1 : rot 10:sc= 0.843 USER MOD Single : A 91 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 92 SER OG : rot 84:sc= 0.988 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.0187 F(o=-1.1!,f=-0.019) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= 0.804 K(o=0.8,f=-2.5!) USER MOD Single : A 100 SER OG : rot -170:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.849 K(o=-0.85,f=-1.9) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= -0.173 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.1 F(o=-0.84,f=-0.1) USER MOD Single : A 112 MET CE :methyl -163:sc= -1.59 (180deg=-2.84!) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -87:sc= 0.616 USER MOD Single : A 117 TYR OH : rot 9:sc= 0.309 USER MOD Single : A 118 THR OG1 : rot -129:sc= 0.593 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -90:sc= 1.27 USER MOD Single : A 126 TYR OH : rot 18:sc= 0.397 USER MOD Single : A 130 MET CE :methyl 170:sc= -1.33 (180deg=-1.59) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.619 -7.905 -8.767 1.00 0.00 N ATOM 2 CA SER A 1 -14.860 -7.898 -9.569 1.00 0.00 C ATOM 3 C SER A 1 -16.040 -8.440 -8.757 1.00 0.00 C ATOM 4 O SER A 1 -17.060 -7.760 -8.600 1.00 0.00 O ATOM 5 CB SER A 1 -14.661 -8.725 -10.847 1.00 0.00 C ATOM 6 OG SER A 1 -15.837 -8.757 -11.639 1.00 0.00 O ATOM 0 H1 SER A 1 -12.799 -7.781 -9.395 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.647 -7.128 -8.077 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.536 -8.812 -8.264 1.00 0.00 H new ATOM 0 HA SER A 1 -15.088 -6.869 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.841 -8.304 -11.429 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.373 -9.742 -10.581 1.00 0.00 H new ATOM 0 HG SER A 1 -15.674 -9.290 -12.445 1.00 0.00 H new ATOM 14 N MET A 2 -15.892 -9.651 -8.220 1.00 0.00 N ATOM 15 CA MET A 2 -16.985 -10.320 -7.514 1.00 0.00 C ATOM 16 C MET A 2 -16.828 -10.157 -6.005 1.00 0.00 C ATOM 17 O MET A 2 -15.794 -10.506 -5.436 1.00 0.00 O ATOM 18 CB MET A 2 -17.030 -11.809 -7.896 1.00 0.00 C ATOM 19 CG MET A 2 -18.243 -12.562 -7.350 1.00 0.00 C ATOM 20 SD MET A 2 -18.221 -12.742 -5.554 1.00 0.00 S ATOM 21 CE MET A 2 -19.778 -13.583 -5.268 1.00 0.00 C ATOM 0 H MET A 2 -15.026 -10.189 -8.260 1.00 0.00 H new ATOM 0 HA MET A 2 -17.926 -9.857 -7.810 1.00 0.00 H new ATOM 0 HB2 MET A 2 -17.023 -11.894 -8.983 1.00 0.00 H new ATOM 0 HB3 MET A 2 -16.123 -12.293 -7.533 1.00 0.00 H new ATOM 0 HG2 MET A 2 -19.151 -12.036 -7.645 1.00 0.00 H new ATOM 0 HG3 MET A 2 -18.284 -13.551 -7.807 1.00 0.00 H new ATOM 0 HE1 MET A 2 -19.904 -13.762 -4.200 1.00 0.00 H new ATOM 0 HE2 MET A 2 -20.598 -12.964 -5.631 1.00 0.00 H new ATOM 0 HE3 MET A 2 -19.780 -14.535 -5.799 1.00 0.00 H new ATOM 31 N VAL A 3 -17.857 -9.614 -5.367 1.00 0.00 N ATOM 32 CA VAL A 3 -17.861 -9.414 -3.925 1.00 0.00 C ATOM 33 C VAL A 3 -19.293 -9.327 -3.405 1.00 0.00 C ATOM 34 O VAL A 3 -20.168 -8.757 -4.060 1.00 0.00 O ATOM 35 CB VAL A 3 -17.081 -8.132 -3.516 1.00 0.00 C ATOM 36 CG1 VAL A 3 -17.558 -6.918 -4.314 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.211 -7.876 -2.013 1.00 0.00 C ATOM 0 H VAL A 3 -18.709 -9.301 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.360 -10.273 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.028 -8.293 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.995 -6.037 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.400 -7.097 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.619 -6.754 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.658 -6.975 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.262 -7.746 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -16.806 -8.725 -1.463 1.00 0.00 H new ATOM 47 N SER A 4 -19.525 -9.915 -2.238 1.00 0.00 N ATOM 48 CA SER A 4 -20.811 -9.827 -1.567 1.00 0.00 C ATOM 49 C SER A 4 -20.715 -8.823 -0.411 1.00 0.00 C ATOM 50 O SER A 4 -19.646 -8.659 0.178 1.00 0.00 O ATOM 51 CB SER A 4 -21.223 -11.214 -1.050 1.00 0.00 C ATOM 52 OG SER A 4 -20.194 -11.795 -0.264 1.00 0.00 O ATOM 0 H SER A 4 -18.829 -10.464 -1.734 1.00 0.00 H new ATOM 0 HA SER A 4 -21.570 -9.482 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.133 -11.128 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.452 -11.866 -1.893 1.00 0.00 H new ATOM 0 HG SER A 4 -20.483 -12.676 0.054 1.00 0.00 H new ATOM 58 N PRO A 5 -21.818 -8.119 -0.082 1.00 0.00 N ATOM 59 CA PRO A 5 -21.848 -7.154 1.034 1.00 0.00 C ATOM 60 C PRO A 5 -21.331 -7.754 2.346 1.00 0.00 C ATOM 61 O PRO A 5 -20.853 -7.032 3.225 1.00 0.00 O ATOM 62 CB PRO A 5 -23.333 -6.790 1.140 1.00 0.00 C ATOM 63 CG PRO A 5 -23.850 -6.980 -0.242 1.00 0.00 C ATOM 64 CD PRO A 5 -23.115 -8.176 -0.787 1.00 0.00 C ATOM 0 HA PRO A 5 -21.199 -6.297 0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -23.851 -7.432 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -23.469 -5.763 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -24.927 -7.150 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -23.669 -6.096 -0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -23.646 -9.105 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -22.990 -8.115 -1.868 1.00 0.00 H new ATOM 72 N GLU A 6 -21.423 -9.077 2.463 1.00 0.00 N ATOM 73 CA GLU A 6 -20.895 -9.797 3.621 1.00 0.00 C ATOM 74 C GLU A 6 -19.368 -9.656 3.659 1.00 0.00 C ATOM 75 O GLU A 6 -18.768 -9.452 4.716 1.00 0.00 O ATOM 76 CB GLU A 6 -21.308 -11.283 3.549 1.00 0.00 C ATOM 77 CG GLU A 6 -21.979 -11.816 4.815 1.00 0.00 C ATOM 78 CD GLU A 6 -21.035 -11.908 6.005 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.322 -12.927 6.124 1.00 0.00 O ATOM 80 OE2 GLU A 6 -21.010 -10.976 6.837 1.00 0.00 O ATOM 0 H GLU A 6 -21.862 -9.677 1.764 1.00 0.00 H new ATOM 0 HA GLU A 6 -21.308 -9.372 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -21.988 -11.418 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -20.422 -11.884 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -22.816 -11.168 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.392 -12.804 4.610 1.00 0.00 H new ATOM 87 N GLU A 7 -18.753 -9.750 2.483 1.00 0.00 N ATOM 88 CA GLU A 7 -17.313 -9.566 2.340 1.00 0.00 C ATOM 89 C GLU A 7 -16.964 -8.079 2.470 1.00 0.00 C ATOM 90 O GLU A 7 -15.884 -7.718 2.938 1.00 0.00 O ATOM 91 CB GLU A 7 -16.847 -10.110 0.979 1.00 0.00 C ATOM 92 CG GLU A 7 -15.338 -10.044 0.756 1.00 0.00 C ATOM 93 CD GLU A 7 -14.557 -10.980 1.667 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.332 -12.145 1.274 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.147 -10.555 2.768 1.00 0.00 O ATOM 0 H GLU A 7 -19.236 -9.955 1.608 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.800 -10.117 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.171 -11.147 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.344 -9.549 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.119 -10.292 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.997 -9.021 0.918 1.00 0.00 H new ATOM 102 N ALA A 8 -17.900 -7.221 2.063 1.00 0.00 N ATOM 103 CA ALA A 8 -17.714 -5.772 2.153 1.00 0.00 C ATOM 104 C ALA A 8 -17.574 -5.334 3.611 1.00 0.00 C ATOM 105 O ALA A 8 -16.614 -4.648 3.974 1.00 0.00 O ATOM 106 CB ALA A 8 -18.868 -5.039 1.478 1.00 0.00 C ATOM 0 H ALA A 8 -18.796 -7.505 1.667 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.793 -5.513 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.711 -3.963 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.915 -5.324 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.804 -5.305 1.968 1.00 0.00 H new ATOM 112 N VAL A 9 -18.534 -5.734 4.448 1.00 0.00 N ATOM 113 CA VAL A 9 -18.473 -5.430 5.878 1.00 0.00 C ATOM 114 C VAL A 9 -17.287 -6.138 6.524 1.00 0.00 C ATOM 115 O VAL A 9 -16.750 -5.675 7.533 1.00 0.00 O ATOM 116 CB VAL A 9 -19.775 -5.819 6.628 1.00 0.00 C ATOM 117 CG1 VAL A 9 -20.954 -4.997 6.120 1.00 0.00 C ATOM 118 CG2 VAL A 9 -20.063 -7.314 6.502 1.00 0.00 C ATOM 0 H VAL A 9 -19.357 -6.265 4.162 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.353 -4.350 5.960 1.00 0.00 H new ATOM 0 HB VAL A 9 -19.630 -5.597 7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.857 -5.285 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -20.756 -3.938 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.093 -5.180 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -20.981 -7.554 7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -20.178 -7.575 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.235 -7.881 6.928 1.00 0.00 H new ATOM 128 N LYS A 10 -16.883 -7.262 5.934 1.00 0.00 N ATOM 129 CA LYS A 10 -15.706 -7.990 6.395 1.00 0.00 C ATOM 130 C LYS A 10 -14.472 -7.099 6.254 1.00 0.00 C ATOM 131 O LYS A 10 -13.663 -6.984 7.172 1.00 0.00 O ATOM 132 CB LYS A 10 -15.518 -9.277 5.578 1.00 0.00 C ATOM 133 CG LYS A 10 -14.892 -10.431 6.354 1.00 0.00 C ATOM 134 CD LYS A 10 -15.875 -11.031 7.358 1.00 0.00 C ATOM 135 CE LYS A 10 -17.135 -11.553 6.671 1.00 0.00 C ATOM 136 NZ LYS A 10 -18.114 -12.110 7.640 1.00 0.00 N ATOM 0 H LYS A 10 -17.355 -7.687 5.136 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.843 -8.262 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.488 -9.596 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.893 -9.056 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.565 -11.203 5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.004 -10.078 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.392 -11.845 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.148 -10.276 8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.602 -10.744 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.861 -12.324 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.871 -12.602 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.633 -12.781 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.524 -11.337 8.202 1.00 0.00 H new ATOM 150 N TRP A 11 -14.349 -6.459 5.091 1.00 0.00 N ATOM 151 CA TRP A 11 -13.251 -5.530 4.827 1.00 0.00 C ATOM 152 C TRP A 11 -13.270 -4.384 5.832 1.00 0.00 C ATOM 153 O TRP A 11 -12.228 -3.821 6.168 1.00 0.00 O ATOM 154 CB TRP A 11 -13.340 -4.978 3.400 1.00 0.00 C ATOM 155 CG TRP A 11 -13.183 -6.028 2.342 1.00 0.00 C ATOM 156 CD1 TRP A 11 -12.552 -7.229 2.467 1.00 0.00 C ATOM 157 CD2 TRP A 11 -13.647 -5.957 0.988 1.00 0.00 C ATOM 158 NE1 TRP A 11 -12.602 -7.915 1.280 1.00 0.00 N ATOM 159 CE2 TRP A 11 -13.269 -7.153 0.356 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.351 -4.998 0.254 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -13.568 -7.414 -0.979 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -14.647 -5.258 -1.070 1.00 0.00 C ATOM 163 CH2 TRP A 11 -14.256 -6.458 -1.674 1.00 0.00 C ATOM 0 H TRP A 11 -15.000 -6.568 4.313 1.00 0.00 H new ATOM 0 HA TRP A 11 -12.313 -6.075 4.931 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -14.302 -4.483 3.270 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -12.570 -4.218 3.264 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -12.081 -7.589 3.370 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -12.207 -8.841 1.112 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.658 -4.070 0.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -13.267 -8.339 -1.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.189 -4.524 -1.648 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -14.503 -6.633 -2.711 1.00 0.00 H new ATOM 174 N GLY A 12 -14.470 -4.065 6.320 1.00 0.00 N ATOM 175 CA GLY A 12 -14.630 -3.024 7.319 1.00 0.00 C ATOM 176 C GLY A 12 -13.867 -3.325 8.599 1.00 0.00 C ATOM 177 O GLY A 12 -13.635 -2.426 9.418 1.00 0.00 O ATOM 0 H GLY A 12 -15.340 -4.516 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.285 -2.075 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.689 -2.906 7.550 1.00 0.00 H new ATOM 181 N GLU A 13 -13.481 -4.590 8.773 1.00 0.00 N ATOM 182 CA GLU A 13 -12.698 -5.006 9.931 1.00 0.00 C ATOM 183 C GLU A 13 -11.236 -4.581 9.784 1.00 0.00 C ATOM 184 O GLU A 13 -10.656 -3.993 10.699 1.00 0.00 O ATOM 185 CB GLU A 13 -12.762 -6.528 10.122 1.00 0.00 C ATOM 186 CG GLU A 13 -14.171 -7.089 10.277 1.00 0.00 C ATOM 187 CD GLU A 13 -14.170 -8.549 10.704 1.00 0.00 C ATOM 188 OE1 GLU A 13 -14.121 -8.815 11.927 1.00 0.00 O ATOM 189 OE2 GLU A 13 -14.206 -9.438 9.829 1.00 0.00 O ATOM 0 H GLU A 13 -13.700 -5.344 8.123 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.129 -4.517 10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.286 -7.009 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.180 -6.795 11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.715 -6.498 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.705 -6.990 9.332 1.00 0.00 H new ATOM 196 N SER A 14 -10.646 -4.865 8.623 1.00 0.00 N ATOM 197 CA SER A 14 -9.213 -4.661 8.426 1.00 0.00 C ATOM 198 C SER A 14 -8.881 -4.244 6.991 1.00 0.00 C ATOM 199 O SER A 14 -9.169 -4.971 6.032 1.00 0.00 O ATOM 200 CB SER A 14 -8.449 -5.942 8.785 1.00 0.00 C ATOM 201 OG SER A 14 -8.728 -6.344 10.116 1.00 0.00 O ATOM 0 H SER A 14 -11.136 -5.235 7.809 1.00 0.00 H new ATOM 0 HA SER A 14 -8.905 -3.848 9.084 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.725 -6.740 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.378 -5.776 8.668 1.00 0.00 H new ATOM 0 HG SER A 14 -8.231 -7.163 10.321 1.00 0.00 H new ATOM 207 N PHE A 15 -8.246 -3.077 6.867 1.00 0.00 N ATOM 208 CA PHE A 15 -7.741 -2.574 5.587 1.00 0.00 C ATOM 209 C PHE A 15 -6.871 -3.640 4.908 1.00 0.00 C ATOM 210 O PHE A 15 -6.775 -3.699 3.681 1.00 0.00 O ATOM 211 CB PHE A 15 -6.939 -1.284 5.844 1.00 0.00 C ATOM 212 CG PHE A 15 -6.465 -0.556 4.608 1.00 0.00 C ATOM 213 CD1 PHE A 15 -7.341 -0.263 3.576 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.144 -0.145 4.492 1.00 0.00 C ATOM 215 CE1 PHE A 15 -6.910 0.419 2.455 1.00 0.00 C ATOM 216 CE2 PHE A 15 -4.710 0.537 3.374 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.594 0.820 2.354 1.00 0.00 C ATOM 0 H PHE A 15 -8.067 -2.452 7.653 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.572 -2.350 4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.556 -0.604 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.070 -1.532 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.373 -0.572 3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.447 -0.362 5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.604 0.638 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.679 0.849 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.257 1.354 1.478 1.00 0.00 H new ATOM 227 N ASP A 16 -6.254 -4.484 5.734 1.00 0.00 N ATOM 228 CA ASP A 16 -5.453 -5.617 5.264 1.00 0.00 C ATOM 229 C ASP A 16 -6.251 -6.510 4.314 1.00 0.00 C ATOM 230 O ASP A 16 -5.862 -6.707 3.160 1.00 0.00 O ATOM 231 CB ASP A 16 -4.971 -6.450 6.461 1.00 0.00 C ATOM 232 CG ASP A 16 -4.159 -7.677 6.053 1.00 0.00 C ATOM 233 OD1 ASP A 16 -4.763 -8.722 5.728 1.00 0.00 O ATOM 234 OD2 ASP A 16 -2.913 -7.606 6.075 1.00 0.00 O ATOM 0 H ASP A 16 -6.295 -4.403 6.750 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.597 -5.217 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.364 -5.821 7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.835 -6.771 7.043 1.00 0.00 H new ATOM 239 N LYS A 17 -7.377 -7.037 4.800 1.00 0.00 N ATOM 240 CA LYS A 17 -8.154 -8.006 4.031 1.00 0.00 C ATOM 241 C LYS A 17 -8.867 -7.327 2.863 1.00 0.00 C ATOM 242 O LYS A 17 -9.325 -7.992 1.931 1.00 0.00 O ATOM 243 CB LYS A 17 -9.151 -8.766 4.923 1.00 0.00 C ATOM 244 CG LYS A 17 -10.189 -7.887 5.607 1.00 0.00 C ATOM 245 CD LYS A 17 -11.220 -8.706 6.390 1.00 0.00 C ATOM 246 CE LYS A 17 -10.627 -9.404 7.617 1.00 0.00 C ATOM 247 NZ LYS A 17 -9.760 -10.568 7.267 1.00 0.00 N ATOM 0 H LYS A 17 -7.767 -6.810 5.715 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.458 -8.739 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.667 -9.510 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.594 -9.309 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.687 -7.196 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.701 -7.283 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.030 -8.050 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.658 -9.455 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.044 -8.684 8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.438 -9.743 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.966 -11.360 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.949 -10.859 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.760 -10.297 7.361 1.00 0.00 H new ATOM 261 N LEU A 18 -8.967 -6.002 2.926 1.00 0.00 N ATOM 262 CA LEU A 18 -9.455 -5.217 1.795 1.00 0.00 C ATOM 263 C LEU A 18 -8.467 -5.319 0.629 1.00 0.00 C ATOM 264 O LEU A 18 -8.860 -5.503 -0.524 1.00 0.00 O ATOM 265 CB LEU A 18 -9.646 -3.746 2.206 1.00 0.00 C ATOM 266 CG LEU A 18 -10.069 -2.784 1.078 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.414 -3.190 0.487 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.118 -1.345 1.587 1.00 0.00 C ATOM 0 H LEU A 18 -8.717 -5.450 3.746 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.420 -5.614 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.397 -3.703 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.712 -3.384 2.635 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.321 -2.845 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.688 -2.494 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.342 -4.197 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.175 -3.169 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.419 -0.682 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.839 -1.271 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.132 -1.053 1.948 1.00 0.00 H new ATOM 280 N LEU A 19 -7.182 -5.226 0.955 1.00 0.00 N ATOM 281 CA LEU A 19 -6.113 -5.233 -0.045 1.00 0.00 C ATOM 282 C LEU A 19 -5.817 -6.649 -0.540 1.00 0.00 C ATOM 283 O LEU A 19 -5.631 -6.866 -1.738 1.00 0.00 O ATOM 284 CB LEU A 19 -4.844 -4.595 0.546 1.00 0.00 C ATOM 285 CG LEU A 19 -4.788 -3.052 0.510 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.155 -2.436 0.791 1.00 0.00 C ATOM 287 CD2 LEU A 19 -3.756 -2.536 1.512 1.00 0.00 C ATOM 0 H LEU A 19 -6.850 -5.144 1.916 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.446 -4.648 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.746 -4.919 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.980 -4.984 0.007 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.489 -2.752 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.078 -1.349 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.868 -2.773 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.497 -2.745 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.727 -1.447 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.031 -2.859 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.773 -2.934 1.259 1.00 0.00 H new ATOM 299 N SER A 20 -5.779 -7.608 0.381 1.00 0.00 N ATOM 300 CA SER A 20 -5.471 -8.993 0.032 1.00 0.00 C ATOM 301 C SER A 20 -6.568 -9.596 -0.851 1.00 0.00 C ATOM 302 O SER A 20 -6.332 -10.560 -1.585 1.00 0.00 O ATOM 303 CB SER A 20 -5.270 -9.829 1.302 1.00 0.00 C ATOM 304 OG SER A 20 -6.313 -9.606 2.233 1.00 0.00 O ATOM 0 H SER A 20 -5.957 -7.453 1.373 1.00 0.00 H new ATOM 0 HA SER A 20 -4.543 -9.004 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.231 -10.887 1.042 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.312 -9.578 1.758 1.00 0.00 H new ATOM 0 HG SER A 20 -6.241 -10.253 2.966 1.00 0.00 H new ATOM 310 N HIS A 21 -7.770 -9.028 -0.778 1.00 0.00 N ATOM 311 CA HIS A 21 -8.858 -9.447 -1.650 1.00 0.00 C ATOM 312 C HIS A 21 -8.715 -8.739 -2.995 1.00 0.00 C ATOM 313 O HIS A 21 -8.919 -7.530 -3.083 1.00 0.00 O ATOM 314 CB HIS A 21 -10.233 -9.127 -1.024 1.00 0.00 C ATOM 315 CG HIS A 21 -11.240 -10.243 -1.131 1.00 0.00 C ATOM 316 ND1 HIS A 21 -12.057 -10.437 -2.228 1.00 0.00 N ATOM 317 CD2 HIS A 21 -11.573 -11.214 -0.247 1.00 0.00 C ATOM 318 CE1 HIS A 21 -12.846 -11.472 -2.005 1.00 0.00 C ATOM 319 NE2 HIS A 21 -12.576 -11.964 -0.811 1.00 0.00 N ATOM 0 H HIS A 21 -8.012 -8.281 -0.127 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.802 -10.527 -1.789 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.091 -8.881 0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.641 -8.239 -1.507 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.130 -11.370 0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.590 -11.853 -2.688 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -13.035 -12.766 -0.379 1.00 0.00 H new ATOM 328 N ARG A 22 -8.344 -9.496 -4.025 1.00 0.00 N ATOM 329 CA ARG A 22 -8.215 -8.977 -5.396 1.00 0.00 C ATOM 330 C ARG A 22 -9.353 -8.011 -5.749 1.00 0.00 C ATOM 331 O ARG A 22 -9.144 -7.011 -6.434 1.00 0.00 O ATOM 332 CB ARG A 22 -8.196 -10.156 -6.384 1.00 0.00 C ATOM 333 CG ARG A 22 -9.246 -11.223 -6.068 1.00 0.00 C ATOM 334 CD ARG A 22 -9.252 -12.368 -7.075 1.00 0.00 C ATOM 335 NE ARG A 22 -9.901 -12.001 -8.334 1.00 0.00 N ATOM 336 CZ ARG A 22 -11.195 -12.219 -8.597 1.00 0.00 C ATOM 337 NH1 ARG A 22 -12.003 -12.695 -7.655 1.00 0.00 N ATOM 338 NH2 ARG A 22 -11.682 -11.939 -9.797 1.00 0.00 N ATOM 0 H ARG A 22 -8.123 -10.488 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.282 -8.418 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.363 -9.779 -7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.207 -10.614 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.061 -11.624 -5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.232 -10.760 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.226 -12.677 -7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.765 -13.226 -6.642 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.334 -11.553 -9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.638 -12.897 -6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.988 -12.859 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.071 -11.558 -10.519 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.668 -12.105 -9.999 1.00 0.00 H new ATOM 352 N ASP A 23 -10.549 -8.324 -5.263 1.00 0.00 N ATOM 353 CA ASP A 23 -11.742 -7.520 -5.533 1.00 0.00 C ATOM 354 C ASP A 23 -11.760 -6.257 -4.676 1.00 0.00 C ATOM 355 O ASP A 23 -12.215 -5.203 -5.121 1.00 0.00 O ATOM 356 CB ASP A 23 -12.998 -8.352 -5.259 1.00 0.00 C ATOM 357 CG ASP A 23 -12.893 -9.739 -5.865 1.00 0.00 C ATOM 358 OD1 ASP A 23 -12.370 -10.642 -5.172 1.00 0.00 O ATOM 359 OD2 ASP A 23 -13.292 -9.912 -7.039 1.00 0.00 O ATOM 0 H ASP A 23 -10.722 -9.138 -4.673 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.723 -7.220 -6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.152 -8.435 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.870 -7.841 -5.668 1.00 0.00 H new ATOM 364 N GLY A 24 -11.261 -6.374 -3.448 1.00 0.00 N ATOM 365 CA GLY A 24 -11.215 -5.238 -2.544 1.00 0.00 C ATOM 366 C GLY A 24 -10.225 -4.199 -3.014 1.00 0.00 C ATOM 367 O GLY A 24 -10.558 -3.021 -3.139 1.00 0.00 O ATOM 0 H GLY A 24 -10.886 -7.240 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.206 -4.791 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.942 -5.577 -1.545 1.00 0.00 H new ATOM 371 N LEU A 25 -9.006 -4.652 -3.279 1.00 0.00 N ATOM 372 CA LEU A 25 -7.965 -3.811 -3.858 1.00 0.00 C ATOM 373 C LEU A 25 -8.463 -3.195 -5.166 1.00 0.00 C ATOM 374 O LEU A 25 -8.176 -2.036 -5.469 1.00 0.00 O ATOM 375 CB LEU A 25 -6.691 -4.654 -4.076 1.00 0.00 C ATOM 376 CG LEU A 25 -5.529 -3.974 -4.836 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.181 -4.518 -4.358 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.671 -4.187 -6.346 1.00 0.00 C ATOM 0 H LEU A 25 -8.711 -5.612 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.722 -2.994 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.321 -4.969 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.970 -5.557 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.571 -2.905 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.376 -4.027 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.067 -4.323 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.138 -5.592 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.843 -3.700 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.658 -5.255 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.613 -3.758 -6.687 1.00 0.00 H new ATOM 390 N GLU A 26 -9.228 -3.980 -5.921 1.00 0.00 N ATOM 391 CA GLU A 26 -9.804 -3.531 -7.184 1.00 0.00 C ATOM 392 C GLU A 26 -10.761 -2.359 -6.955 1.00 0.00 C ATOM 393 O GLU A 26 -10.692 -1.340 -7.641 1.00 0.00 O ATOM 394 CB GLU A 26 -10.543 -4.693 -7.855 1.00 0.00 C ATOM 395 CG GLU A 26 -11.013 -4.407 -9.275 1.00 0.00 C ATOM 396 CD GLU A 26 -11.777 -5.578 -9.874 1.00 0.00 C ATOM 397 OE1 GLU A 26 -11.274 -6.722 -9.812 1.00 0.00 O ATOM 398 OE2 GLU A 26 -12.892 -5.368 -10.387 1.00 0.00 O ATOM 0 H GLU A 26 -9.465 -4.941 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.999 -3.192 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.887 -5.563 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.408 -4.957 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.650 -3.522 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.151 -4.179 -9.902 1.00 0.00 H new ATOM 405 N ALA A 27 -11.648 -2.507 -5.979 1.00 0.00 N ATOM 406 CA ALA A 27 -12.603 -1.454 -5.649 1.00 0.00 C ATOM 407 C ALA A 27 -11.875 -0.235 -5.085 1.00 0.00 C ATOM 408 O ALA A 27 -12.193 0.910 -5.421 1.00 0.00 O ATOM 409 CB ALA A 27 -13.637 -1.973 -4.655 1.00 0.00 C ATOM 0 H ALA A 27 -11.727 -3.344 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.122 -1.152 -6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.344 -1.178 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.172 -2.815 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.135 -2.297 -3.744 1.00 0.00 H new ATOM 415 N PHE A 28 -10.875 -0.498 -4.248 1.00 0.00 N ATOM 416 CA PHE A 28 -10.125 0.557 -3.577 1.00 0.00 C ATOM 417 C PHE A 28 -9.342 1.398 -4.586 1.00 0.00 C ATOM 418 O PHE A 28 -9.306 2.620 -4.478 1.00 0.00 O ATOM 419 CB PHE A 28 -9.181 -0.043 -2.523 1.00 0.00 C ATOM 420 CG PHE A 28 -8.464 0.992 -1.689 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.154 1.732 -0.738 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.107 1.230 -1.861 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.505 2.685 0.024 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.455 2.181 -1.102 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.154 2.910 -0.159 1.00 0.00 C ATOM 0 H PHE A 28 -10.564 -1.442 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.836 1.212 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.755 -0.694 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.442 -0.668 -3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.210 1.561 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.555 0.664 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.053 3.253 0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.399 2.355 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.645 3.655 0.434 1.00 0.00 H new ATOM 435 N THR A 29 -8.731 0.744 -5.575 1.00 0.00 N ATOM 436 CA THR A 29 -7.940 1.455 -6.577 1.00 0.00 C ATOM 437 C THR A 29 -8.836 2.351 -7.438 1.00 0.00 C ATOM 438 O THR A 29 -8.440 3.455 -7.816 1.00 0.00 O ATOM 439 CB THR A 29 -7.118 0.489 -7.477 1.00 0.00 C ATOM 440 OG1 THR A 29 -6.289 1.235 -8.373 1.00 0.00 O ATOM 441 CG2 THR A 29 -8.012 -0.439 -8.290 1.00 0.00 C ATOM 0 H THR A 29 -8.768 -0.267 -5.702 1.00 0.00 H new ATOM 0 HA THR A 29 -7.228 2.078 -6.035 1.00 0.00 H new ATOM 0 HB THR A 29 -6.506 -0.121 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.005 2.067 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.394 -1.095 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.621 -1.041 -7.615 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.662 0.154 -8.934 1.00 0.00 H new ATOM 449 N ARG A 30 -10.056 1.883 -7.726 1.00 0.00 N ATOM 450 CA ARG A 30 -11.020 2.680 -8.490 1.00 0.00 C ATOM 451 C ARG A 30 -11.309 3.993 -7.762 1.00 0.00 C ATOM 452 O ARG A 30 -11.351 5.063 -8.370 1.00 0.00 O ATOM 453 CB ARG A 30 -12.331 1.906 -8.701 1.00 0.00 C ATOM 454 CG ARG A 30 -12.173 0.596 -9.470 1.00 0.00 C ATOM 455 CD ARG A 30 -13.511 -0.112 -9.650 1.00 0.00 C ATOM 456 NE ARG A 30 -13.364 -1.453 -10.227 1.00 0.00 N ATOM 457 CZ ARG A 30 -14.059 -1.900 -11.279 1.00 0.00 C ATOM 458 NH1 ARG A 30 -14.883 -1.091 -11.933 1.00 0.00 N ATOM 459 NH2 ARG A 30 -13.921 -3.155 -11.687 1.00 0.00 N ATOM 0 H ARG A 30 -10.396 0.964 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.584 2.894 -9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.773 1.691 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.034 2.545 -9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.733 0.797 -10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.483 -0.058 -8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.011 -0.188 -8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.153 0.489 -10.294 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.688 -2.085 -9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.990 -0.122 -11.634 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.410 -1.439 -12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.283 -3.783 -11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.453 -3.492 -12.490 1.00 0.00 H new ATOM 473 N PHE A 31 -11.491 3.894 -6.448 1.00 0.00 N ATOM 474 CA PHE A 31 -11.779 5.054 -5.612 1.00 0.00 C ATOM 475 C PHE A 31 -10.530 5.925 -5.442 1.00 0.00 C ATOM 476 O PHE A 31 -10.578 7.139 -5.619 1.00 0.00 O ATOM 477 CB PHE A 31 -12.300 4.586 -4.242 1.00 0.00 C ATOM 478 CG PHE A 31 -12.610 5.705 -3.274 1.00 0.00 C ATOM 479 CD1 PHE A 31 -13.738 6.497 -3.444 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.778 5.959 -2.190 1.00 0.00 C ATOM 481 CE1 PHE A 31 -14.026 7.518 -2.556 1.00 0.00 C ATOM 482 CE2 PHE A 31 -12.064 6.978 -1.302 1.00 0.00 C ATOM 483 CZ PHE A 31 -13.188 7.758 -1.485 1.00 0.00 C ATOM 0 H PHE A 31 -11.443 3.013 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.545 5.658 -6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.202 3.993 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.558 3.927 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -14.398 6.314 -4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.897 5.352 -2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.906 8.127 -2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.408 7.164 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.412 8.555 -0.791 1.00 0.00 H new ATOM 493 N LEU A 32 -9.411 5.280 -5.139 1.00 0.00 N ATOM 494 CA LEU A 32 -8.163 5.970 -4.802 1.00 0.00 C ATOM 495 C LEU A 32 -7.680 6.860 -5.957 1.00 0.00 C ATOM 496 O LEU A 32 -6.987 7.860 -5.743 1.00 0.00 O ATOM 497 CB LEU A 32 -7.090 4.930 -4.439 1.00 0.00 C ATOM 498 CG LEU A 32 -5.830 5.476 -3.747 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.189 6.153 -2.428 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.818 4.357 -3.517 1.00 0.00 C ATOM 0 H LEU A 32 -9.338 4.263 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.347 6.621 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.543 4.182 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.786 4.417 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.377 6.221 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.283 6.532 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.873 6.980 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.668 5.431 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.933 4.762 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.263 3.588 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.534 3.921 -4.475 1.00 0.00 H new ATOM 512 N LYS A 33 -8.063 6.499 -7.178 1.00 0.00 N ATOM 513 CA LYS A 33 -7.666 7.251 -8.368 1.00 0.00 C ATOM 514 C LYS A 33 -8.276 8.658 -8.397 1.00 0.00 C ATOM 515 O LYS A 33 -7.785 9.528 -9.118 1.00 0.00 O ATOM 516 CB LYS A 33 -8.047 6.478 -9.641 1.00 0.00 C ATOM 517 CG LYS A 33 -7.090 5.336 -9.971 1.00 0.00 C ATOM 518 CD LYS A 33 -7.595 4.481 -11.130 1.00 0.00 C ATOM 519 CE LYS A 33 -6.551 3.465 -11.587 1.00 0.00 C ATOM 520 NZ LYS A 33 -6.021 2.654 -10.461 1.00 0.00 N ATOM 0 H LYS A 33 -8.650 5.688 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.583 7.369 -8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.053 6.076 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.076 7.171 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.111 5.745 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.957 4.709 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.502 3.958 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.864 5.126 -11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.993 2.803 -12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.728 3.988 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.304 1.991 -10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.590 3.282 -9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.798 2.120 -10.022 1.00 0.00 H new ATOM 534 N THR A 34 -9.334 8.891 -7.616 1.00 0.00 N ATOM 535 CA THR A 34 -9.987 10.202 -7.598 1.00 0.00 C ATOM 536 C THR A 34 -9.170 11.207 -6.778 1.00 0.00 C ATOM 537 O THR A 34 -9.319 12.419 -6.940 1.00 0.00 O ATOM 538 CB THR A 34 -11.435 10.132 -7.036 1.00 0.00 C ATOM 539 OG1 THR A 34 -12.156 11.328 -7.381 1.00 0.00 O ATOM 540 CG2 THR A 34 -11.446 9.968 -5.515 1.00 0.00 C ATOM 0 H THR A 34 -9.752 8.198 -6.995 1.00 0.00 H new ATOM 0 HA THR A 34 -10.043 10.535 -8.634 1.00 0.00 H new ATOM 0 HB THR A 34 -11.914 9.260 -7.481 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.067 11.275 -7.025 1.00 0.00 H new ATOM 0 HG21 THR A 34 -12.476 9.923 -5.161 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.929 9.047 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.941 10.817 -5.054 1.00 0.00 H new ATOM 548 N GLU A 35 -8.313 10.693 -5.896 1.00 0.00 N ATOM 549 CA GLU A 35 -7.491 11.538 -5.027 1.00 0.00 C ATOM 550 C GLU A 35 -6.012 11.439 -5.407 1.00 0.00 C ATOM 551 O GLU A 35 -5.176 12.167 -4.875 1.00 0.00 O ATOM 552 CB GLU A 35 -7.711 11.145 -3.560 1.00 0.00 C ATOM 553 CG GLU A 35 -7.411 9.681 -3.261 1.00 0.00 C ATOM 554 CD GLU A 35 -7.971 9.232 -1.922 1.00 0.00 C ATOM 555 OE1 GLU A 35 -9.167 8.889 -1.869 1.00 0.00 O ATOM 556 OE2 GLU A 35 -7.230 9.233 -0.919 1.00 0.00 O ATOM 0 H GLU A 35 -8.169 9.692 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.794 12.577 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.081 11.771 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.745 11.357 -3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.829 9.059 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.332 9.526 -3.270 1.00 0.00 H new ATOM 563 N PHE A 36 -5.707 10.521 -6.330 1.00 0.00 N ATOM 564 CA PHE A 36 -4.353 10.360 -6.873 1.00 0.00 C ATOM 565 C PHE A 36 -3.342 9.970 -5.790 1.00 0.00 C ATOM 566 O PHE A 36 -2.131 10.055 -5.999 1.00 0.00 O ATOM 567 CB PHE A 36 -3.900 11.642 -7.594 1.00 0.00 C ATOM 568 CG PHE A 36 -4.718 11.970 -8.820 1.00 0.00 C ATOM 569 CD1 PHE A 36 -5.862 12.753 -8.724 1.00 0.00 C ATOM 570 CD2 PHE A 36 -4.344 11.493 -10.070 1.00 0.00 C ATOM 571 CE1 PHE A 36 -6.609 13.054 -9.848 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.088 11.793 -11.194 1.00 0.00 C ATOM 573 CZ PHE A 36 -6.223 12.573 -11.084 1.00 0.00 C ATOM 0 H PHE A 36 -6.389 9.871 -6.721 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.391 9.544 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.954 12.479 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.855 11.535 -7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.171 13.131 -7.761 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.460 10.880 -10.164 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.495 13.666 -9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.782 11.418 -12.160 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.807 12.806 -11.962 1.00 0.00 H new ATOM 583 N SER A 37 -3.844 9.494 -4.653 1.00 0.00 N ATOM 584 CA SER A 37 -2.991 9.048 -3.549 1.00 0.00 C ATOM 585 C SER A 37 -2.434 7.650 -3.844 1.00 0.00 C ATOM 586 O SER A 37 -1.761 7.035 -3.011 1.00 0.00 O ATOM 587 CB SER A 37 -3.800 9.050 -2.239 1.00 0.00 C ATOM 588 OG SER A 37 -2.995 8.724 -1.117 1.00 0.00 O ATOM 0 H SER A 37 -4.844 9.406 -4.470 1.00 0.00 H new ATOM 0 HA SER A 37 -2.150 9.733 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.248 10.033 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.619 8.335 -2.318 1.00 0.00 H new ATOM 0 HG SER A 37 -3.544 8.737 -0.305 1.00 0.00 H new ATOM 594 N GLU A 38 -2.699 7.172 -5.059 1.00 0.00 N ATOM 595 CA GLU A 38 -2.314 5.832 -5.482 1.00 0.00 C ATOM 596 C GLU A 38 -0.792 5.666 -5.513 1.00 0.00 C ATOM 597 O GLU A 38 -0.285 4.547 -5.469 1.00 0.00 O ATOM 598 CB GLU A 38 -2.935 5.531 -6.854 1.00 0.00 C ATOM 599 CG GLU A 38 -2.811 4.076 -7.287 1.00 0.00 C ATOM 600 CD GLU A 38 -3.759 3.724 -8.420 1.00 0.00 C ATOM 601 OE1 GLU A 38 -4.971 3.612 -8.163 1.00 0.00 O ATOM 602 OE2 GLU A 38 -3.304 3.565 -9.572 1.00 0.00 O ATOM 0 H GLU A 38 -3.188 7.706 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.694 5.114 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.990 5.803 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.459 6.164 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.786 3.880 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.013 3.428 -6.434 1.00 0.00 H new ATOM 609 N GLU A 39 -0.067 6.781 -5.555 1.00 0.00 N ATOM 610 CA GLU A 39 1.396 6.742 -5.537 1.00 0.00 C ATOM 611 C GLU A 39 1.891 6.034 -4.269 1.00 0.00 C ATOM 612 O GLU A 39 2.955 5.413 -4.261 1.00 0.00 O ATOM 613 CB GLU A 39 1.977 8.162 -5.604 1.00 0.00 C ATOM 614 CG GLU A 39 1.467 8.985 -6.785 1.00 0.00 C ATOM 615 CD GLU A 39 2.196 10.314 -6.944 1.00 0.00 C ATOM 616 OE1 GLU A 39 2.015 11.211 -6.094 1.00 0.00 O ATOM 617 OE2 GLU A 39 2.954 10.467 -7.924 1.00 0.00 O ATOM 0 H GLU A 39 -0.465 7.719 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 39 1.735 6.186 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.738 8.686 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.064 8.097 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.578 8.404 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.401 9.175 -6.655 1.00 0.00 H new ATOM 624 N ASN A 40 1.092 6.133 -3.209 1.00 0.00 N ATOM 625 CA ASN A 40 1.417 5.533 -1.914 1.00 0.00 C ATOM 626 C ASN A 40 1.240 4.012 -1.953 1.00 0.00 C ATOM 627 O ASN A 40 2.138 3.250 -1.559 1.00 0.00 O ATOM 628 CB ASN A 40 0.522 6.144 -0.823 1.00 0.00 C ATOM 629 CG ASN A 40 0.798 7.622 -0.590 1.00 0.00 C ATOM 630 OD1 ASN A 40 1.945 8.069 -0.632 1.00 0.00 O ATOM 631 ND2 ASN A 40 -0.254 8.400 -0.378 1.00 0.00 N ATOM 0 H ASN A 40 0.202 6.631 -3.222 1.00 0.00 H new ATOM 0 HA ASN A 40 2.462 5.744 -1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.523 6.015 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.672 5.600 0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.128 9.403 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.190 7.996 -0.350 1.00 0.00 H new ATOM 638 N ILE A 41 0.081 3.568 -2.433 1.00 0.00 N ATOM 639 CA ILE A 41 -0.198 2.140 -2.513 1.00 0.00 C ATOM 640 C ILE A 41 0.777 1.479 -3.486 1.00 0.00 C ATOM 641 O ILE A 41 1.331 0.421 -3.192 1.00 0.00 O ATOM 642 CB ILE A 41 -1.674 1.847 -2.919 1.00 0.00 C ATOM 643 CG1 ILE A 41 -1.992 0.348 -2.760 1.00 0.00 C ATOM 644 CG2 ILE A 41 -1.964 2.306 -4.345 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.425 -0.018 -3.097 1.00 0.00 C ATOM 0 H ILE A 41 -0.671 4.170 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.059 1.716 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.320 2.415 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.321 -0.225 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.784 0.050 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.002 2.086 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.792 3.379 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.306 1.781 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.569 -1.090 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.104 0.526 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.634 0.247 -4.134 1.00 0.00 H new ATOM 657 N GLU A 42 1.025 2.139 -4.622 1.00 0.00 N ATOM 658 CA GLU A 42 1.972 1.634 -5.614 1.00 0.00 C ATOM 659 C GLU A 42 3.392 1.635 -5.056 1.00 0.00 C ATOM 660 O GLU A 42 4.231 0.845 -5.488 1.00 0.00 O ATOM 661 CB GLU A 42 1.918 2.455 -6.911 1.00 0.00 C ATOM 662 CG GLU A 42 0.615 2.300 -7.688 1.00 0.00 C ATOM 663 CD GLU A 42 0.657 2.990 -9.045 1.00 0.00 C ATOM 664 OE1 GLU A 42 0.518 4.226 -9.098 1.00 0.00 O ATOM 665 OE2 GLU A 42 0.839 2.291 -10.073 1.00 0.00 O ATOM 0 H GLU A 42 0.582 3.023 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 42 1.684 0.609 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.062 3.508 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.749 2.159 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.405 1.240 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.205 2.712 -7.100 1.00 0.00 H new ATOM 672 N PHE A 43 3.656 2.524 -4.098 1.00 0.00 N ATOM 673 CA PHE A 43 4.950 2.564 -3.423 1.00 0.00 C ATOM 674 C PHE A 43 5.262 1.208 -2.796 1.00 0.00 C ATOM 675 O PHE A 43 6.244 0.553 -3.165 1.00 0.00 O ATOM 676 CB PHE A 43 4.982 3.674 -2.357 1.00 0.00 C ATOM 677 CG PHE A 43 6.112 3.545 -1.363 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.406 3.916 -1.698 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.878 3.043 -0.088 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.437 3.792 -0.785 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.906 2.917 0.824 1.00 0.00 C ATOM 682 CZ PHE A 43 8.185 3.292 0.476 1.00 0.00 C ATOM 0 H PHE A 43 2.990 3.225 -3.773 1.00 0.00 H new ATOM 0 HA PHE A 43 5.716 2.790 -4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.061 4.640 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.035 3.671 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.611 4.306 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.878 2.748 0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.439 4.086 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.708 2.524 1.810 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.990 3.195 1.190 1.00 0.00 H new ATOM 692 N TRP A 44 4.424 0.763 -1.860 1.00 0.00 N ATOM 693 CA TRP A 44 4.699 -0.511 -1.196 1.00 0.00 C ATOM 694 C TRP A 44 4.299 -1.699 -2.072 1.00 0.00 C ATOM 695 O TRP A 44 4.764 -2.816 -1.850 1.00 0.00 O ATOM 696 CB TRP A 44 4.081 -0.600 0.209 1.00 0.00 C ATOM 697 CG TRP A 44 2.596 -0.404 0.294 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.951 0.708 0.743 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.573 -1.354 -0.035 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.597 0.512 0.720 1.00 0.00 N ATOM 701 CE2 TRP A 44 0.337 -0.742 0.234 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.582 -2.658 -0.537 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -0.874 -1.389 0.024 1.00 0.00 C ATOM 704 CZ3 TRP A 44 0.378 -3.298 -0.749 1.00 0.00 C ATOM 705 CH2 TRP A 44 -0.836 -2.663 -0.472 1.00 0.00 C ATOM 0 H TRP A 44 3.579 1.245 -1.552 1.00 0.00 H new ATOM 0 HA TRP A 44 5.779 -0.557 -1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.322 -1.577 0.628 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.562 0.146 0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.438 1.615 1.070 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.105 1.190 1.017 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.515 -3.156 -0.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.813 -0.903 0.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.374 -4.306 -1.135 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.762 -3.189 -0.653 1.00 0.00 H new ATOM 716 N ILE A 45 3.454 -1.462 -3.078 1.00 0.00 N ATOM 717 CA ILE A 45 3.188 -2.479 -4.098 1.00 0.00 C ATOM 718 C ILE A 45 4.473 -2.763 -4.875 1.00 0.00 C ATOM 719 O ILE A 45 4.762 -3.908 -5.221 1.00 0.00 O ATOM 720 CB ILE A 45 2.049 -2.059 -5.075 1.00 0.00 C ATOM 721 CG1 ILE A 45 0.674 -2.216 -4.399 1.00 0.00 C ATOM 722 CG2 ILE A 45 2.102 -2.860 -6.380 1.00 0.00 C ATOM 723 CD1 ILE A 45 -0.493 -1.839 -5.290 1.00 0.00 C ATOM 0 H ILE A 45 2.948 -0.586 -3.208 1.00 0.00 H new ATOM 0 HA ILE A 45 2.850 -3.381 -3.589 1.00 0.00 H new ATOM 0 HB ILE A 45 2.198 -1.009 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.554 -3.250 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.648 -1.598 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.293 -2.540 -7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.059 -2.689 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.992 -3.922 -6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.427 -1.976 -4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.398 -0.796 -5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.494 -2.474 -6.176 1.00 0.00 H new ATOM 735 N ALA A 46 5.257 -1.712 -5.116 1.00 0.00 N ATOM 736 CA ALA A 46 6.563 -1.858 -5.749 1.00 0.00 C ATOM 737 C ALA A 46 7.484 -2.673 -4.846 1.00 0.00 C ATOM 738 O ALA A 46 8.300 -3.464 -5.319 1.00 0.00 O ATOM 739 CB ALA A 46 7.169 -0.492 -6.056 1.00 0.00 C ATOM 0 H ALA A 46 5.008 -0.751 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 46 6.442 -2.387 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.143 -0.624 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.510 0.055 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.288 0.070 -5.130 1.00 0.00 H new ATOM 745 N CYS A 47 7.333 -2.478 -3.537 1.00 0.00 N ATOM 746 CA CYS A 47 8.073 -3.266 -2.556 1.00 0.00 C ATOM 747 C CYS A 47 7.663 -4.737 -2.620 1.00 0.00 C ATOM 748 O CYS A 47 8.495 -5.628 -2.431 1.00 0.00 O ATOM 749 CB CYS A 47 7.856 -2.729 -1.136 1.00 0.00 C ATOM 750 SG CYS A 47 8.647 -3.729 0.150 1.00 0.00 S ATOM 0 H CYS A 47 6.706 -1.782 -3.133 1.00 0.00 H new ATOM 0 HA CYS A 47 9.132 -3.182 -2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.240 -1.711 -1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.786 -2.677 -0.936 1.00 0.00 H new ATOM 0 HG CYS A 47 8.998 -4.877 -0.348 1.00 0.00 H new ATOM 756 N GLU A 48 6.382 -4.997 -2.877 1.00 0.00 N ATOM 757 CA GLU A 48 5.904 -6.371 -3.004 1.00 0.00 C ATOM 758 C GLU A 48 6.273 -6.943 -4.371 1.00 0.00 C ATOM 759 O GLU A 48 6.404 -8.156 -4.525 1.00 0.00 O ATOM 760 CB GLU A 48 4.395 -6.477 -2.748 1.00 0.00 C ATOM 761 CG GLU A 48 3.992 -6.071 -1.329 1.00 0.00 C ATOM 762 CD GLU A 48 2.723 -6.762 -0.852 1.00 0.00 C ATOM 763 OE1 GLU A 48 1.618 -6.276 -1.157 1.00 0.00 O ATOM 764 OE2 GLU A 48 2.830 -7.805 -0.166 1.00 0.00 O ATOM 0 H GLU A 48 5.664 -4.283 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 48 6.400 -6.966 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.867 -5.846 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.074 -7.503 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.807 -6.306 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.847 -4.991 -1.293 1.00 0.00 H new ATOM 771 N ASP A 49 6.457 -6.065 -5.357 1.00 0.00 N ATOM 772 CA ASP A 49 7.000 -6.469 -6.657 1.00 0.00 C ATOM 773 C ASP A 49 8.429 -6.963 -6.461 1.00 0.00 C ATOM 774 O ASP A 49 8.873 -7.933 -7.080 1.00 0.00 O ATOM 775 CB ASP A 49 6.976 -5.299 -7.651 1.00 0.00 C ATOM 776 CG ASP A 49 7.570 -5.668 -9.005 1.00 0.00 C ATOM 777 OD1 ASP A 49 6.815 -6.128 -9.887 1.00 0.00 O ATOM 778 OD2 ASP A 49 8.791 -5.492 -9.201 1.00 0.00 O ATOM 0 H ASP A 49 6.239 -5.071 -5.282 1.00 0.00 H new ATOM 0 HA ASP A 49 6.383 -7.268 -7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.948 -4.965 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.531 -4.459 -7.232 1.00 0.00 H new ATOM 783 N PHE A 50 9.130 -6.272 -5.576 1.00 0.00 N ATOM 784 CA PHE A 50 10.455 -6.671 -5.124 1.00 0.00 C ATOM 785 C PHE A 50 10.374 -8.001 -4.361 1.00 0.00 C ATOM 786 O PHE A 50 11.244 -8.864 -4.495 1.00 0.00 O ATOM 787 CB PHE A 50 11.029 -5.535 -4.251 1.00 0.00 C ATOM 788 CG PHE A 50 12.056 -5.948 -3.228 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.394 -6.060 -3.565 1.00 0.00 C ATOM 790 CD2 PHE A 50 11.677 -6.203 -1.915 1.00 0.00 C ATOM 791 CE1 PHE A 50 14.331 -6.415 -2.617 1.00 0.00 C ATOM 792 CE2 PHE A 50 12.611 -6.562 -0.966 1.00 0.00 C ATOM 793 CZ PHE A 50 13.940 -6.670 -1.317 1.00 0.00 C ATOM 0 H PHE A 50 8.793 -5.410 -5.147 1.00 0.00 H new ATOM 0 HA PHE A 50 11.121 -6.833 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.477 -4.789 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.203 -5.048 -3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.707 -5.867 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.637 -6.119 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.372 -6.494 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 50 12.302 -6.758 0.050 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.674 -6.953 -0.577 1.00 0.00 H new ATOM 803 N LYS A 51 9.303 -8.157 -3.589 1.00 0.00 N ATOM 804 CA LYS A 51 9.053 -9.377 -2.814 1.00 0.00 C ATOM 805 C LYS A 51 8.685 -10.557 -3.726 1.00 0.00 C ATOM 806 O LYS A 51 8.852 -11.717 -3.344 1.00 0.00 O ATOM 807 CB LYS A 51 7.953 -9.094 -1.767 1.00 0.00 C ATOM 808 CG LYS A 51 7.335 -10.324 -1.087 1.00 0.00 C ATOM 809 CD LYS A 51 6.035 -10.761 -1.773 1.00 0.00 C ATOM 810 CE LYS A 51 5.296 -11.836 -0.981 1.00 0.00 C ATOM 811 NZ LYS A 51 6.023 -13.132 -0.961 1.00 0.00 N ATOM 0 H LYS A 51 8.582 -7.444 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 51 9.967 -9.666 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.372 -8.449 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.154 -8.532 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.050 -11.147 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.135 -10.098 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.385 -9.895 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.262 -11.139 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.148 -11.491 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.307 -11.985 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.479 -13.827 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.142 -13.478 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.957 -12.999 -0.524 1.00 0.00 H new ATOM 825 N LYS A 52 8.186 -10.259 -4.928 1.00 0.00 N ATOM 826 CA LYS A 52 7.854 -11.300 -5.907 1.00 0.00 C ATOM 827 C LYS A 52 9.080 -12.154 -6.227 1.00 0.00 C ATOM 828 O LYS A 52 8.979 -13.368 -6.423 1.00 0.00 O ATOM 829 CB LYS A 52 7.322 -10.679 -7.209 1.00 0.00 C ATOM 830 CG LYS A 52 5.982 -9.963 -7.068 1.00 0.00 C ATOM 831 CD LYS A 52 5.564 -9.276 -8.371 1.00 0.00 C ATOM 832 CE LYS A 52 5.396 -10.262 -9.524 1.00 0.00 C ATOM 833 NZ LYS A 52 5.125 -9.566 -10.811 1.00 0.00 N ATOM 0 H LYS A 52 8.003 -9.308 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 52 7.080 -11.929 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.060 -9.971 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.222 -11.465 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.216 -10.680 -6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.048 -9.222 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.626 -8.744 -8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.312 -8.530 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.298 -10.866 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.577 -10.946 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.017 -10.269 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.250 -9.010 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.918 -8.932 -11.037 1.00 0.00 H new ATOM 847 N SER A 53 10.234 -11.503 -6.279 1.00 0.00 N ATOM 848 CA SER A 53 11.483 -12.159 -6.633 1.00 0.00 C ATOM 849 C SER A 53 12.199 -12.683 -5.391 1.00 0.00 C ATOM 850 O SER A 53 12.014 -12.160 -4.293 1.00 0.00 O ATOM 851 CB SER A 53 12.374 -11.176 -7.394 1.00 0.00 C ATOM 852 OG SER A 53 12.412 -9.911 -6.746 1.00 0.00 O ATOM 0 H SER A 53 10.330 -10.508 -6.077 1.00 0.00 H new ATOM 0 HA SER A 53 11.263 -13.015 -7.271 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.384 -11.580 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.002 -11.056 -8.411 1.00 0.00 H new ATOM 0 HG SER A 53 12.170 -10.019 -5.803 1.00 0.00 H new ATOM 858 N LYS A 54 13.020 -13.714 -5.575 1.00 0.00 N ATOM 859 CA LYS A 54 13.757 -14.330 -4.472 1.00 0.00 C ATOM 860 C LYS A 54 15.239 -14.489 -4.824 1.00 0.00 C ATOM 861 O LYS A 54 15.993 -15.145 -4.102 1.00 0.00 O ATOM 862 CB LYS A 54 13.113 -15.684 -4.093 1.00 0.00 C ATOM 863 CG LYS A 54 12.732 -16.576 -5.282 1.00 0.00 C ATOM 864 CD LYS A 54 13.943 -17.214 -5.964 1.00 0.00 C ATOM 865 CE LYS A 54 14.689 -18.167 -5.034 1.00 0.00 C ATOM 866 NZ LYS A 54 15.882 -18.759 -5.691 1.00 0.00 N ATOM 0 H LYS A 54 13.193 -14.144 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 54 13.701 -13.674 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.805 -16.232 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.218 -15.491 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.060 -17.362 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.182 -15.983 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.615 -17.756 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.623 -16.431 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.997 -17.631 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.017 -18.964 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.361 -19.400 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.586 -19.291 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.535 -18.001 -5.973 1.00 0.00 H new ATOM 880 N GLY A 55 15.645 -13.883 -5.939 1.00 0.00 N ATOM 881 CA GLY A 55 17.043 -13.892 -6.334 1.00 0.00 C ATOM 882 C GLY A 55 17.827 -12.798 -5.629 1.00 0.00 C ATOM 883 O GLY A 55 17.492 -11.620 -5.776 1.00 0.00 O ATOM 0 H GLY A 55 15.026 -13.384 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.482 -14.863 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.118 -13.758 -7.413 1.00 0.00 H new ATOM 887 N PRO A 56 18.881 -13.149 -4.863 1.00 0.00 N ATOM 888 CA PRO A 56 19.630 -12.182 -4.042 1.00 0.00 C ATOM 889 C PRO A 56 20.164 -11.001 -4.857 1.00 0.00 C ATOM 890 O PRO A 56 20.267 -9.882 -4.347 1.00 0.00 O ATOM 891 CB PRO A 56 20.780 -13.016 -3.445 1.00 0.00 C ATOM 892 CG PRO A 56 20.842 -14.253 -4.280 1.00 0.00 C ATOM 893 CD PRO A 56 19.434 -14.510 -4.740 1.00 0.00 C ATOM 0 HA PRO A 56 18.997 -11.722 -3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.722 -12.469 -3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.590 -13.256 -2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.512 -14.118 -5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.224 -15.095 -3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 56 19.409 -15.045 -5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 56 18.876 -15.111 -4.021 1.00 0.00 H new ATOM 901 N GLN A 57 20.490 -11.249 -6.122 1.00 0.00 N ATOM 902 CA GLN A 57 20.946 -10.186 -7.012 1.00 0.00 C ATOM 903 C GLN A 57 19.801 -9.212 -7.278 1.00 0.00 C ATOM 904 O GLN A 57 19.942 -8.001 -7.095 1.00 0.00 O ATOM 905 CB GLN A 57 21.476 -10.755 -8.341 1.00 0.00 C ATOM 906 CG GLN A 57 22.657 -11.716 -8.189 1.00 0.00 C ATOM 907 CD GLN A 57 22.245 -13.173 -8.023 1.00 0.00 C ATOM 908 OE1 GLN A 57 21.157 -13.483 -7.534 1.00 0.00 O ATOM 909 NE2 GLN A 57 23.123 -14.080 -8.421 1.00 0.00 N ATOM 0 H GLN A 57 20.447 -12.173 -6.553 1.00 0.00 H new ATOM 0 HA GLN A 57 21.767 -9.661 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 57 20.664 -11.274 -8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 57 21.777 -9.927 -8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 57 23.301 -11.627 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 57 23.250 -11.415 -7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 57 24.014 -13.786 -8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.909 -15.073 -8.327 1.00 0.00 H new ATOM 918 N GLN A 58 18.658 -9.768 -7.682 1.00 0.00 N ATOM 919 CA GLN A 58 17.450 -8.991 -7.963 1.00 0.00 C ATOM 920 C GLN A 58 17.069 -8.142 -6.752 1.00 0.00 C ATOM 921 O GLN A 58 16.640 -6.992 -6.892 1.00 0.00 O ATOM 922 CB GLN A 58 16.296 -9.942 -8.316 1.00 0.00 C ATOM 923 CG GLN A 58 14.974 -9.249 -8.644 1.00 0.00 C ATOM 924 CD GLN A 58 14.941 -8.626 -10.029 1.00 0.00 C ATOM 925 OE1 GLN A 58 15.961 -8.195 -10.567 1.00 0.00 O ATOM 926 NE2 GLN A 58 13.755 -8.568 -10.616 1.00 0.00 N ATOM 0 H GLN A 58 18.544 -10.772 -7.824 1.00 0.00 H new ATOM 0 HA GLN A 58 17.645 -8.328 -8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 58 16.593 -10.550 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.136 -10.623 -7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.164 -9.973 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.786 -8.474 -7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.932 -8.936 -10.139 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.665 -8.156 -11.545 1.00 0.00 H new ATOM 935 N ILE A 59 17.239 -8.729 -5.569 1.00 0.00 N ATOM 936 CA ILE A 59 16.932 -8.065 -4.306 1.00 0.00 C ATOM 937 C ILE A 59 17.621 -6.702 -4.220 1.00 0.00 C ATOM 938 O ILE A 59 16.961 -5.674 -4.074 1.00 0.00 O ATOM 939 CB ILE A 59 17.357 -8.943 -3.095 1.00 0.00 C ATOM 940 CG1 ILE A 59 16.539 -10.247 -3.060 1.00 0.00 C ATOM 941 CG2 ILE A 59 17.217 -8.181 -1.775 1.00 0.00 C ATOM 942 CD1 ILE A 59 15.039 -10.040 -2.965 1.00 0.00 C ATOM 0 H ILE A 59 17.594 -9.679 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 59 15.853 -7.917 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 59 18.410 -9.196 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 59 16.758 -10.824 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 59 16.866 -10.845 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 59 17.522 -8.824 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 59 17.851 -7.294 -1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 59 16.178 -7.881 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.539 -11.008 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 59 14.804 -9.492 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 59 14.695 -9.471 -3.829 1.00 0.00 H new ATOM 954 N HIS A 60 18.946 -6.697 -4.337 1.00 0.00 N ATOM 955 CA HIS A 60 19.719 -5.463 -4.202 1.00 0.00 C ATOM 956 C HIS A 60 19.377 -4.476 -5.315 1.00 0.00 C ATOM 957 O HIS A 60 19.299 -3.271 -5.081 1.00 0.00 O ATOM 958 CB HIS A 60 21.227 -5.755 -4.194 1.00 0.00 C ATOM 959 CG HIS A 60 21.702 -6.438 -2.945 1.00 0.00 C ATOM 960 ND1 HIS A 60 21.670 -7.741 -2.578 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 22.301 -5.765 -1.901 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 22.243 -7.827 -1.336 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 22.615 -6.624 -0.948 1.00 0.00 N flip ATOM 0 H HIS A 60 19.506 -7.529 -4.524 1.00 0.00 H new ATOM 0 HA HIS A 60 19.451 -5.010 -3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 60 21.472 -6.378 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 60 21.770 -4.818 -4.314 1.00 0.00 H new ATOM 0 HD1 HIS A 60 21.290 -8.514 -3.124 1.00 0.00 H new ATOM 0 HD2 HIS A 60 22.485 -4.701 -1.868 1.00 0.00 H new ATOM 0 HE1 HIS A 60 22.369 -8.736 -0.766 1.00 0.00 H new ATOM 972 N LEU A 61 19.152 -4.996 -6.520 1.00 0.00 N ATOM 973 CA LEU A 61 18.833 -4.157 -7.676 1.00 0.00 C ATOM 974 C LEU A 61 17.578 -3.321 -7.416 1.00 0.00 C ATOM 975 O LEU A 61 17.628 -2.085 -7.414 1.00 0.00 O ATOM 976 CB LEU A 61 18.634 -5.026 -8.929 1.00 0.00 C ATOM 977 CG LEU A 61 19.846 -5.877 -9.343 1.00 0.00 C ATOM 978 CD1 LEU A 61 19.502 -6.765 -10.535 1.00 0.00 C ATOM 979 CD2 LEU A 61 21.053 -4.994 -9.654 1.00 0.00 C ATOM 0 H LEU A 61 19.184 -5.995 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 61 19.670 -3.479 -7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.787 -5.690 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.367 -4.376 -9.762 1.00 0.00 H new ATOM 0 HG LEU A 61 20.108 -6.521 -8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.374 -7.358 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.681 -7.430 -10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.205 -6.142 -11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.897 -5.620 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.807 -4.316 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.318 -4.415 -8.769 1.00 0.00 H new ATOM 991 N LYS A 62 16.461 -4.007 -7.180 1.00 0.00 N ATOM 992 CA LYS A 62 15.173 -3.348 -6.970 1.00 0.00 C ATOM 993 C LYS A 62 15.180 -2.514 -5.688 1.00 0.00 C ATOM 994 O LYS A 62 14.729 -1.366 -5.688 1.00 0.00 O ATOM 995 CB LYS A 62 14.034 -4.386 -6.933 1.00 0.00 C ATOM 996 CG LYS A 62 13.389 -4.663 -8.295 1.00 0.00 C ATOM 997 CD LYS A 62 14.407 -5.096 -9.351 1.00 0.00 C ATOM 998 CE LYS A 62 13.738 -5.350 -10.700 1.00 0.00 C ATOM 999 NZ LYS A 62 14.718 -5.728 -11.757 1.00 0.00 N ATOM 0 H LYS A 62 16.422 -5.025 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 62 15.002 -2.673 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.424 -5.322 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.264 -4.039 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.634 -5.441 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.874 -3.766 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.170 -4.325 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.915 -6.001 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.999 -6.144 -10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.200 -4.454 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.208 -6.069 -12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.290 -4.898 -12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.340 -6.481 -11.400 1.00 0.00 H new ATOM 1013 N ALA A 63 15.705 -3.088 -4.608 1.00 0.00 N ATOM 1014 CA ALA A 63 15.735 -2.413 -3.311 1.00 0.00 C ATOM 1015 C ALA A 63 16.478 -1.080 -3.395 1.00 0.00 C ATOM 1016 O ALA A 63 15.975 -0.048 -2.949 1.00 0.00 O ATOM 1017 CB ALA A 63 16.378 -3.311 -2.260 1.00 0.00 C ATOM 0 H ALA A 63 16.117 -4.021 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 63 14.706 -2.206 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.393 -2.795 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.803 -4.232 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.399 -3.549 -2.560 1.00 0.00 H new ATOM 1023 N LYS A 64 17.670 -1.112 -3.986 1.00 0.00 N ATOM 1024 CA LYS A 64 18.517 0.074 -4.088 1.00 0.00 C ATOM 1025 C LYS A 64 17.866 1.121 -4.996 1.00 0.00 C ATOM 1026 O LYS A 64 18.036 2.326 -4.798 1.00 0.00 O ATOM 1027 CB LYS A 64 19.905 -0.325 -4.613 1.00 0.00 C ATOM 1028 CG LYS A 64 20.967 0.767 -4.504 1.00 0.00 C ATOM 1029 CD LYS A 64 22.345 0.243 -4.914 1.00 0.00 C ATOM 1030 CE LYS A 64 23.438 1.287 -4.721 1.00 0.00 C ATOM 1031 NZ LYS A 64 23.252 2.466 -5.605 1.00 0.00 N ATOM 0 H LYS A 64 18.073 -1.951 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 64 18.633 0.517 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.248 -1.202 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.812 -0.619 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.692 1.610 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.006 1.139 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.584 -0.644 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.319 -0.064 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.447 1.613 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.409 0.835 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.086 3.084 -5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.134 2.148 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.406 2.993 -5.308 1.00 0.00 H new ATOM 1045 N ALA A 65 17.101 0.651 -5.979 1.00 0.00 N ATOM 1046 CA ALA A 65 16.393 1.539 -6.896 1.00 0.00 C ATOM 1047 C ALA A 65 15.257 2.264 -6.171 1.00 0.00 C ATOM 1048 O ALA A 65 15.180 3.495 -6.186 1.00 0.00 O ATOM 1049 CB ALA A 65 15.857 0.753 -8.087 1.00 0.00 C ATOM 0 H ALA A 65 16.956 -0.342 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 65 17.094 2.288 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.331 1.429 -8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.686 0.284 -8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.169 -0.016 -7.736 1.00 0.00 H new ATOM 1055 N ILE A 66 14.386 1.486 -5.526 1.00 0.00 N ATOM 1056 CA ILE A 66 13.274 2.035 -4.748 1.00 0.00 C ATOM 1057 C ILE A 66 13.805 2.961 -3.656 1.00 0.00 C ATOM 1058 O ILE A 66 13.199 3.987 -3.334 1.00 0.00 O ATOM 1059 CB ILE A 66 12.428 0.902 -4.101 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.833 -0.009 -5.190 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.321 1.481 -3.213 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.044 -1.184 -4.646 1.00 0.00 C ATOM 0 H ILE A 66 14.430 0.467 -5.528 1.00 0.00 H new ATOM 0 HA ILE A 66 12.635 2.599 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 66 13.084 0.304 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.183 0.586 -5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.642 -0.386 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.745 0.667 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.767 2.080 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.663 2.108 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.658 -1.778 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.694 -1.803 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.213 -0.817 -4.044 1.00 0.00 H new ATOM 1074 N TYR A 67 14.955 2.591 -3.111 1.00 0.00 N ATOM 1075 CA TYR A 67 15.627 3.378 -2.087 1.00 0.00 C ATOM 1076 C TYR A 67 15.878 4.802 -2.581 1.00 0.00 C ATOM 1077 O TYR A 67 15.397 5.767 -1.990 1.00 0.00 O ATOM 1078 CB TYR A 67 16.950 2.697 -1.708 1.00 0.00 C ATOM 1079 CG TYR A 67 17.753 3.417 -0.643 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.343 3.412 0.683 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.934 4.082 -0.962 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.080 4.049 1.659 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.676 4.724 0.010 1.00 0.00 C ATOM 1084 CZ TYR A 67 19.246 4.704 1.319 1.00 0.00 C ATOM 1085 OH TYR A 67 19.986 5.333 2.295 1.00 0.00 O ATOM 0 H TYR A 67 15.449 1.736 -3.367 1.00 0.00 H new ATOM 0 HA TYR A 67 14.989 3.437 -1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.736 1.686 -1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.564 2.603 -2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.431 2.901 0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 67 19.275 4.096 -1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.746 4.035 2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 67 20.588 5.239 -0.254 1.00 0.00 H new ATOM 0 HH TYR A 67 20.778 5.745 1.891 1.00 0.00 H new ATOM 1095 N GLU A 68 16.603 4.917 -3.687 1.00 0.00 N ATOM 1096 CA GLU A 68 17.001 6.217 -4.227 1.00 0.00 C ATOM 1097 C GLU A 68 15.820 6.976 -4.839 1.00 0.00 C ATOM 1098 O GLU A 68 15.837 8.206 -4.915 1.00 0.00 O ATOM 1099 CB GLU A 68 18.103 6.021 -5.275 1.00 0.00 C ATOM 1100 CG GLU A 68 19.403 5.470 -4.698 1.00 0.00 C ATOM 1101 CD GLU A 68 20.407 5.075 -5.769 1.00 0.00 C ATOM 1102 OE1 GLU A 68 20.637 5.869 -6.707 1.00 0.00 O ATOM 1103 OE2 GLU A 68 20.981 3.970 -5.674 1.00 0.00 O ATOM 0 H GLU A 68 16.931 4.120 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 68 17.377 6.820 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.742 5.342 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.306 6.976 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.851 6.220 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.180 4.601 -4.079 1.00 0.00 H new ATOM 1110 N LYS A 69 14.799 6.246 -5.278 1.00 0.00 N ATOM 1111 CA LYS A 69 13.650 6.861 -5.945 1.00 0.00 C ATOM 1112 C LYS A 69 12.593 7.321 -4.936 1.00 0.00 C ATOM 1113 O LYS A 69 11.866 8.286 -5.189 1.00 0.00 O ATOM 1114 CB LYS A 69 13.036 5.875 -6.954 1.00 0.00 C ATOM 1115 CG LYS A 69 11.870 6.447 -7.764 1.00 0.00 C ATOM 1116 CD LYS A 69 11.322 5.426 -8.761 1.00 0.00 C ATOM 1117 CE LYS A 69 10.099 5.950 -9.514 1.00 0.00 C ATOM 1118 NZ LYS A 69 10.415 7.124 -10.371 1.00 0.00 N ATOM 0 H LYS A 69 14.741 5.232 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 69 14.003 7.744 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.814 5.546 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.691 4.991 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.074 6.758 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.200 7.337 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.102 5.165 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.056 4.511 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.689 5.152 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.326 6.226 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.569 7.398 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.717 7.919 -9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.181 6.877 -11.030 1.00 0.00 H new ATOM 1132 N PHE A 70 12.512 6.642 -3.791 1.00 0.00 N ATOM 1133 CA PHE A 70 11.463 6.925 -2.806 1.00 0.00 C ATOM 1134 C PHE A 70 12.032 7.170 -1.404 1.00 0.00 C ATOM 1135 O PHE A 70 11.746 8.196 -0.787 1.00 0.00 O ATOM 1136 CB PHE A 70 10.460 5.765 -2.745 1.00 0.00 C ATOM 1137 CG PHE A 70 9.690 5.535 -4.023 1.00 0.00 C ATOM 1138 CD1 PHE A 70 8.638 6.370 -4.375 1.00 0.00 C ATOM 1139 CD2 PHE A 70 10.009 4.478 -4.866 1.00 0.00 C ATOM 1140 CE1 PHE A 70 7.925 6.156 -5.539 1.00 0.00 C ATOM 1141 CE2 PHE A 70 9.295 4.260 -6.029 1.00 0.00 C ATOM 1142 CZ PHE A 70 8.253 5.101 -6.367 1.00 0.00 C ATOM 0 H PHE A 70 13.155 5.897 -3.522 1.00 0.00 H new ATOM 0 HA PHE A 70 10.963 7.837 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.996 4.851 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.752 5.956 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.374 7.196 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.825 3.819 -4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 70 7.110 6.815 -5.801 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.552 3.432 -6.673 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.696 4.934 -7.277 1.00 0.00 H new ATOM 1152 N ILE A 71 12.831 6.224 -0.910 1.00 0.00 N ATOM 1153 CA ILE A 71 13.287 6.245 0.486 1.00 0.00 C ATOM 1154 C ILE A 71 14.311 7.357 0.727 1.00 0.00 C ATOM 1155 O ILE A 71 14.541 7.767 1.868 1.00 0.00 O ATOM 1156 CB ILE A 71 13.897 4.878 0.899 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.894 3.743 0.634 1.00 0.00 C ATOM 1158 CG2 ILE A 71 14.323 4.884 2.369 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.598 3.868 1.410 1.00 0.00 C ATOM 0 H ILE A 71 13.177 5.433 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 71 12.409 6.441 1.102 1.00 0.00 H new ATOM 0 HB ILE A 71 14.787 4.708 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.666 3.716 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.364 2.792 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.746 3.914 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.071 5.661 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.455 5.082 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.946 3.029 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.812 3.863 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.103 4.802 1.143 1.00 0.00 H new ATOM 1171 N GLN A 72 14.922 7.831 -0.355 1.00 0.00 N ATOM 1172 CA GLN A 72 15.900 8.913 -0.291 1.00 0.00 C ATOM 1173 C GLN A 72 15.335 10.113 0.477 1.00 0.00 C ATOM 1174 O GLN A 72 14.185 10.501 0.273 1.00 0.00 O ATOM 1175 CB GLN A 72 16.319 9.322 -1.713 1.00 0.00 C ATOM 1176 CG GLN A 72 17.311 10.478 -1.769 1.00 0.00 C ATOM 1177 CD GLN A 72 18.588 10.201 -0.996 1.00 0.00 C ATOM 1178 OE1 GLN A 72 19.031 9.057 -0.884 1.00 0.00 O ATOM 1179 NE2 GLN A 72 19.183 11.247 -0.453 1.00 0.00 N ATOM 0 H GLN A 72 14.754 7.478 -1.297 1.00 0.00 H new ATOM 0 HA GLN A 72 16.780 8.559 0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 72 16.758 8.458 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.427 9.597 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.560 10.686 -2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.838 11.375 -1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.784 12.178 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.042 11.124 0.083 1.00 0.00 H new ATOM 1188 N THR A 73 16.157 10.684 1.359 1.00 0.00 N ATOM 1189 CA THR A 73 15.738 11.783 2.226 1.00 0.00 C ATOM 1190 C THR A 73 15.073 12.910 1.438 1.00 0.00 C ATOM 1191 O THR A 73 13.990 13.376 1.801 1.00 0.00 O ATOM 1192 CB THR A 73 16.937 12.337 3.023 1.00 0.00 C ATOM 1193 OG1 THR A 73 18.046 12.561 2.139 1.00 0.00 O ATOM 1194 CG2 THR A 73 17.350 11.373 4.131 1.00 0.00 C ATOM 0 H THR A 73 17.127 10.398 1.491 1.00 0.00 H new ATOM 0 HA THR A 73 15.001 11.379 2.920 1.00 0.00 H new ATOM 0 HB THR A 73 16.637 13.279 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.805 12.914 2.649 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.197 11.788 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.514 11.225 4.815 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.634 10.416 3.693 1.00 0.00 H new ATOM 1202 N ASP A 74 15.724 13.354 0.366 1.00 0.00 N ATOM 1203 CA ASP A 74 15.128 14.350 -0.516 1.00 0.00 C ATOM 1204 C ASP A 74 14.250 13.649 -1.555 1.00 0.00 C ATOM 1205 O ASP A 74 13.034 13.845 -1.569 1.00 0.00 O ATOM 1206 CB ASP A 74 16.204 15.238 -1.177 1.00 0.00 C ATOM 1207 CG ASP A 74 17.175 14.474 -2.066 1.00 0.00 C ATOM 1208 OD1 ASP A 74 18.033 13.742 -1.525 1.00 0.00 O ATOM 1209 OD2 ASP A 74 17.074 14.593 -3.309 1.00 0.00 O ATOM 0 H ASP A 74 16.655 13.043 0.090 1.00 0.00 H new ATOM 0 HA ASP A 74 14.501 15.017 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.711 16.007 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.767 15.750 -0.397 1.00 0.00 H new ATOM 1214 N ALA A 75 14.864 12.812 -2.399 1.00 0.00 N ATOM 1215 CA ALA A 75 14.143 12.010 -3.396 1.00 0.00 C ATOM 1216 C ALA A 75 13.362 12.882 -4.389 1.00 0.00 C ATOM 1217 O ALA A 75 13.066 14.046 -4.117 1.00 0.00 O ATOM 1218 CB ALA A 75 13.203 11.021 -2.703 1.00 0.00 C ATOM 0 H ALA A 75 15.874 12.671 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 75 14.889 11.458 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.675 10.433 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.783 10.356 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.481 11.569 -2.098 1.00 0.00 H new ATOM 1224 N PRO A 76 13.035 12.336 -5.575 1.00 0.00 N ATOM 1225 CA PRO A 76 12.164 13.022 -6.540 1.00 0.00 C ATOM 1226 C PRO A 76 10.720 13.080 -6.040 1.00 0.00 C ATOM 1227 O PRO A 76 9.938 13.942 -6.445 1.00 0.00 O ATOM 1228 CB PRO A 76 12.273 12.152 -7.799 1.00 0.00 C ATOM 1229 CG PRO A 76 12.629 10.796 -7.288 1.00 0.00 C ATOM 1230 CD PRO A 76 13.506 11.030 -6.087 1.00 0.00 C ATOM 0 HA PRO A 76 12.456 14.058 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.333 12.134 -8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.035 12.532 -8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.736 10.233 -7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.153 10.216 -8.048 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.391 10.241 -5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.561 11.061 -6.359 1.00 0.00 H new ATOM 1238 N LYS A 77 10.380 12.145 -5.155 1.00 0.00 N ATOM 1239 CA LYS A 77 9.041 12.059 -4.578 1.00 0.00 C ATOM 1240 C LYS A 77 8.979 12.766 -3.228 1.00 0.00 C ATOM 1241 O LYS A 77 8.004 13.461 -2.932 1.00 0.00 O ATOM 1242 CB LYS A 77 8.632 10.588 -4.403 1.00 0.00 C ATOM 1243 CG LYS A 77 8.370 9.848 -5.711 1.00 0.00 C ATOM 1244 CD LYS A 77 7.103 10.350 -6.403 1.00 0.00 C ATOM 1245 CE LYS A 77 6.774 9.529 -7.645 1.00 0.00 C ATOM 1246 NZ LYS A 77 5.515 9.976 -8.297 1.00 0.00 N ATOM 0 H LYS A 77 11.023 11.428 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 77 8.350 12.551 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.418 10.067 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.733 10.544 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.223 9.975 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.277 8.780 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.266 10.306 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.231 11.396 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.596 9.605 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.686 8.478 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.278 9.328 -9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.744 9.977 -7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.641 10.937 -8.674 1.00 0.00 H new ATOM 1260 N GLU A 78 10.027 12.585 -2.421 1.00 0.00 N ATOM 1261 CA GLU A 78 10.045 13.055 -1.035 1.00 0.00 C ATOM 1262 C GLU A 78 8.840 12.464 -0.300 1.00 0.00 C ATOM 1263 O GLU A 78 7.753 13.048 -0.284 1.00 0.00 O ATOM 1264 CB GLU A 78 10.052 14.598 -0.976 1.00 0.00 C ATOM 1265 CG GLU A 78 10.578 15.185 0.339 1.00 0.00 C ATOM 1266 CD GLU A 78 9.620 15.014 1.508 1.00 0.00 C ATOM 1267 OE1 GLU A 78 8.692 15.844 1.641 1.00 0.00 O ATOM 1268 OE2 GLU A 78 9.790 14.061 2.297 1.00 0.00 O ATOM 0 H GLU A 78 10.883 12.111 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 78 10.958 12.720 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.661 14.977 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.037 14.959 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.527 14.710 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.780 16.247 0.198 1.00 0.00 H new ATOM 1275 N VAL A 79 9.032 11.278 0.265 1.00 0.00 N ATOM 1276 CA VAL A 79 7.935 10.523 0.858 1.00 0.00 C ATOM 1277 C VAL A 79 7.784 10.864 2.338 1.00 0.00 C ATOM 1278 O VAL A 79 8.738 10.746 3.115 1.00 0.00 O ATOM 1279 CB VAL A 79 8.147 8.994 0.687 1.00 0.00 C ATOM 1280 CG1 VAL A 79 6.919 8.210 1.154 1.00 0.00 C ATOM 1281 CG2 VAL A 79 8.483 8.656 -0.766 1.00 0.00 C ATOM 0 H VAL A 79 9.940 10.817 0.325 1.00 0.00 H new ATOM 0 HA VAL A 79 7.021 10.804 0.334 1.00 0.00 H new ATOM 0 HB VAL A 79 8.989 8.700 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.097 7.143 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.733 8.419 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.051 8.509 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.628 7.580 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.664 8.973 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.397 9.174 -1.058 1.00 0.00 H new ATOM 1291 N ASN A 80 6.569 11.252 2.722 1.00 0.00 N ATOM 1292 CA ASN A 80 6.267 11.668 4.097 1.00 0.00 C ATOM 1293 C ASN A 80 6.196 10.467 5.047 1.00 0.00 C ATOM 1294 O ASN A 80 5.682 10.575 6.162 1.00 0.00 O ATOM 1295 CB ASN A 80 4.946 12.460 4.131 1.00 0.00 C ATOM 1296 CG ASN A 80 5.054 13.811 3.439 1.00 0.00 C ATOM 1297 OD1 ASN A 80 5.357 14.826 4.071 1.00 0.00 O ATOM 1298 ND2 ASN A 80 4.812 13.838 2.135 1.00 0.00 N ATOM 0 H ASN A 80 5.766 11.288 2.094 1.00 0.00 H new ATOM 0 HA ASN A 80 7.078 12.310 4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.162 11.873 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.644 12.610 5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.874 14.718 1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.564 12.979 1.644 1.00 0.00 H new ATOM 1305 N LEU A 81 6.722 9.329 4.597 1.00 0.00 N ATOM 1306 CA LEU A 81 6.833 8.131 5.420 1.00 0.00 C ATOM 1307 C LEU A 81 7.638 8.441 6.685 1.00 0.00 C ATOM 1308 O LEU A 81 8.540 9.281 6.659 1.00 0.00 O ATOM 1309 CB LEU A 81 7.488 7.003 4.596 1.00 0.00 C ATOM 1310 CG LEU A 81 8.058 5.811 5.381 1.00 0.00 C ATOM 1311 CD1 LEU A 81 6.940 5.007 6.024 1.00 0.00 C ATOM 1312 CD2 LEU A 81 8.910 4.924 4.471 1.00 0.00 C ATOM 0 H LEU A 81 7.083 9.214 3.650 1.00 0.00 H new ATOM 0 HA LEU A 81 5.842 7.799 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.748 6.623 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.295 7.438 4.006 1.00 0.00 H new ATOM 0 HG LEU A 81 8.697 6.198 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.365 4.168 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.381 5.644 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.271 4.631 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.304 4.086 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.297 4.547 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.737 5.507 4.065 1.00 0.00 H new ATOM 1324 N ASP A 82 7.286 7.772 7.780 1.00 0.00 N ATOM 1325 CA ASP A 82 7.903 8.004 9.084 1.00 0.00 C ATOM 1326 C ASP A 82 9.431 8.057 9.005 1.00 0.00 C ATOM 1327 O ASP A 82 10.072 7.177 8.418 1.00 0.00 O ATOM 1328 CB ASP A 82 7.469 6.921 10.074 1.00 0.00 C ATOM 1329 CG ASP A 82 8.207 7.022 11.396 1.00 0.00 C ATOM 1330 OD1 ASP A 82 7.919 7.953 12.177 1.00 0.00 O ATOM 1331 OD2 ASP A 82 9.095 6.181 11.647 1.00 0.00 O ATOM 0 H ASP A 82 6.563 7.052 7.788 1.00 0.00 H new ATOM 0 HA ASP A 82 7.561 8.979 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.397 7.003 10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.646 5.939 9.636 1.00 0.00 H new ATOM 1336 N PHE A 83 9.993 9.097 9.615 1.00 0.00 N ATOM 1337 CA PHE A 83 11.432 9.347 9.600 1.00 0.00 C ATOM 1338 C PHE A 83 12.220 8.151 10.133 1.00 0.00 C ATOM 1339 O PHE A 83 13.221 7.750 9.537 1.00 0.00 O ATOM 1340 CB PHE A 83 11.762 10.603 10.425 1.00 0.00 C ATOM 1341 CG PHE A 83 11.354 10.509 11.880 1.00 0.00 C ATOM 1342 CD1 PHE A 83 10.039 10.737 12.264 1.00 0.00 C ATOM 1343 CD2 PHE A 83 12.284 10.183 12.860 1.00 0.00 C ATOM 1344 CE1 PHE A 83 9.663 10.643 13.592 1.00 0.00 C ATOM 1345 CE2 PHE A 83 11.910 10.086 14.187 1.00 0.00 C ATOM 1346 CZ PHE A 83 10.599 10.317 14.552 1.00 0.00 C ATOM 0 H PHE A 83 9.461 9.794 10.136 1.00 0.00 H new ATOM 0 HA PHE A 83 11.727 9.506 8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.835 10.790 10.370 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.266 11.462 9.974 1.00 0.00 H new ATOM 0 HD1 PHE A 83 9.301 10.991 11.517 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.312 10.003 12.581 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.637 10.825 13.877 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.643 9.830 14.938 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.306 10.243 15.589 1.00 0.00 H new ATOM 1356 N HIS A 84 11.762 7.581 11.246 1.00 0.00 N ATOM 1357 CA HIS A 84 12.469 6.477 11.891 1.00 0.00 C ATOM 1358 C HIS A 84 12.414 5.230 11.016 1.00 0.00 C ATOM 1359 O HIS A 84 13.355 4.437 10.988 1.00 0.00 O ATOM 1360 CB HIS A 84 11.883 6.194 13.281 1.00 0.00 C ATOM 1361 CG HIS A 84 12.493 5.003 13.960 1.00 0.00 C ATOM 1362 ND1 HIS A 84 13.806 4.962 14.386 1.00 0.00 N ATOM 1363 CD2 HIS A 84 11.964 3.797 14.273 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.053 3.784 14.927 1.00 0.00 C ATOM 1365 NE2 HIS A 84 12.953 3.060 14.871 1.00 0.00 N ATOM 0 H HIS A 84 10.905 7.866 11.720 1.00 0.00 H new ATOM 0 HA HIS A 84 13.513 6.763 12.018 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.024 7.072 13.911 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.808 6.038 13.188 1.00 0.00 H new ATOM 0 HD1 HIS A 84 14.479 5.723 14.297 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.950 3.475 14.086 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.997 3.467 15.345 1.00 0.00 H new ATOM 1374 N THR A 85 11.317 5.074 10.288 1.00 0.00 N ATOM 1375 CA THR A 85 11.171 3.963 9.358 1.00 0.00 C ATOM 1376 C THR A 85 12.184 4.098 8.216 1.00 0.00 C ATOM 1377 O THR A 85 12.885 3.141 7.877 1.00 0.00 O ATOM 1378 CB THR A 85 9.737 3.900 8.788 1.00 0.00 C ATOM 1379 OG1 THR A 85 8.791 3.841 9.865 1.00 0.00 O ATOM 1380 CG2 THR A 85 9.557 2.686 7.884 1.00 0.00 C ATOM 0 H THR A 85 10.515 5.703 10.323 1.00 0.00 H new ATOM 0 HA THR A 85 11.362 3.038 9.901 1.00 0.00 H new ATOM 0 HB THR A 85 9.567 4.798 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.959 4.578 10.489 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.538 2.668 7.498 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.259 2.744 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.745 1.776 8.455 1.00 0.00 H new ATOM 1388 N LYS A 86 12.270 5.302 7.648 1.00 0.00 N ATOM 1389 CA LYS A 86 13.241 5.590 6.591 1.00 0.00 C ATOM 1390 C LYS A 86 14.663 5.486 7.140 1.00 0.00 C ATOM 1391 O LYS A 86 15.592 5.109 6.427 1.00 0.00 O ATOM 1392 CB LYS A 86 12.991 6.986 5.988 1.00 0.00 C ATOM 1393 CG LYS A 86 11.645 7.109 5.276 1.00 0.00 C ATOM 1394 CD LYS A 86 11.461 8.457 4.570 1.00 0.00 C ATOM 1395 CE LYS A 86 11.379 9.627 5.547 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.993 10.893 4.861 1.00 0.00 N ATOM 0 H LYS A 86 11.679 6.093 7.902 1.00 0.00 H new ATOM 0 HA LYS A 86 13.120 4.853 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.043 7.731 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.789 7.217 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.553 6.306 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.843 6.973 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.292 8.620 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.552 8.427 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.652 9.400 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.343 9.759 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.766 11.618 5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.783 11.223 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.160 10.723 4.262 1.00 0.00 H new ATOM 1410 N GLU A 87 14.809 5.799 8.425 1.00 0.00 N ATOM 1411 CA GLU A 87 16.096 5.733 9.111 1.00 0.00 C ATOM 1412 C GLU A 87 16.618 4.297 9.150 1.00 0.00 C ATOM 1413 O GLU A 87 17.768 4.031 8.794 1.00 0.00 O ATOM 1414 CB GLU A 87 15.948 6.288 10.532 1.00 0.00 C ATOM 1415 CG GLU A 87 17.215 6.215 11.371 1.00 0.00 C ATOM 1416 CD GLU A 87 17.021 6.819 12.749 1.00 0.00 C ATOM 1417 OE1 GLU A 87 16.495 6.118 13.643 1.00 0.00 O ATOM 1418 OE2 GLU A 87 17.372 8.007 12.938 1.00 0.00 O ATOM 0 H GLU A 87 14.039 6.105 9.019 1.00 0.00 H new ATOM 0 HA GLU A 87 16.819 6.337 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.627 7.328 10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.157 5.739 11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.523 5.174 11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.021 6.738 10.856 1.00 0.00 H new ATOM 1425 N VAL A 88 15.767 3.372 9.581 1.00 0.00 N ATOM 1426 CA VAL A 88 16.137 1.962 9.633 1.00 0.00 C ATOM 1427 C VAL A 88 16.577 1.481 8.250 1.00 0.00 C ATOM 1428 O VAL A 88 17.607 0.817 8.106 1.00 0.00 O ATOM 1429 CB VAL A 88 14.966 1.082 10.146 1.00 0.00 C ATOM 1430 CG1 VAL A 88 15.350 -0.399 10.149 1.00 0.00 C ATOM 1431 CG2 VAL A 88 14.528 1.529 11.539 1.00 0.00 C ATOM 0 H VAL A 88 14.819 3.572 9.899 1.00 0.00 H new ATOM 0 HA VAL A 88 16.966 1.864 10.334 1.00 0.00 H new ATOM 0 HB VAL A 88 14.126 1.209 9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.511 -0.992 10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.603 -0.711 9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.211 -0.550 10.800 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.706 0.900 11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.366 1.439 12.230 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.199 2.567 11.501 1.00 0.00 H new ATOM 1441 N ILE A 89 15.807 1.858 7.233 1.00 0.00 N ATOM 1442 CA ILE A 89 16.090 1.451 5.860 1.00 0.00 C ATOM 1443 C ILE A 89 17.435 2.012 5.385 1.00 0.00 C ATOM 1444 O ILE A 89 18.262 1.277 4.846 1.00 0.00 O ATOM 1445 CB ILE A 89 14.966 1.907 4.892 1.00 0.00 C ATOM 1446 CG1 ILE A 89 13.608 1.331 5.337 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.288 1.486 3.457 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.435 1.804 4.504 1.00 0.00 C ATOM 0 H ILE A 89 14.980 2.446 7.334 1.00 0.00 H new ATOM 0 HA ILE A 89 16.137 0.362 5.852 1.00 0.00 H new ATOM 0 HB ILE A 89 14.904 2.995 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 89 13.655 0.243 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.434 1.602 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.488 1.815 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.228 1.942 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.378 0.401 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.516 1.354 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.359 2.890 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.584 1.509 3.465 1.00 0.00 H new ATOM 1460 N THR A 90 17.659 3.303 5.619 1.00 0.00 N ATOM 1461 CA THR A 90 18.876 3.971 5.156 1.00 0.00 C ATOM 1462 C THR A 90 20.132 3.355 5.780 1.00 0.00 C ATOM 1463 O THR A 90 21.218 3.411 5.198 1.00 0.00 O ATOM 1464 CB THR A 90 18.830 5.493 5.449 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.435 5.726 6.808 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.857 6.210 4.512 1.00 0.00 C ATOM 0 H THR A 90 17.014 3.909 6.127 1.00 0.00 H new ATOM 0 HA THR A 90 18.925 3.826 4.077 1.00 0.00 H new ATOM 0 HB THR A 90 19.831 5.891 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.434 4.878 7.298 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.848 7.275 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.173 6.065 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.855 5.801 4.645 1.00 0.00 H new ATOM 1474 N ASN A 91 19.981 2.756 6.958 1.00 0.00 N ATOM 1475 CA ASN A 91 21.104 2.110 7.642 1.00 0.00 C ATOM 1476 C ASN A 91 21.164 0.611 7.338 1.00 0.00 C ATOM 1477 O ASN A 91 22.180 -0.037 7.595 1.00 0.00 O ATOM 1478 CB ASN A 91 21.017 2.337 9.161 1.00 0.00 C ATOM 1479 CG ASN A 91 21.371 3.762 9.563 1.00 0.00 C ATOM 1480 OD1 ASN A 91 22.534 4.076 9.818 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.378 4.633 9.626 1.00 0.00 N ATOM 0 H ASN A 91 19.095 2.703 7.460 1.00 0.00 H new ATOM 0 HA ASN A 91 22.020 2.566 7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.007 2.108 9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.689 1.644 9.667 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.564 5.600 9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.426 4.338 9.408 1.00 0.00 H new ATOM 1488 N SER A 92 20.084 0.058 6.788 1.00 0.00 N ATOM 1489 CA SER A 92 20.017 -1.379 6.498 1.00 0.00 C ATOM 1490 C SER A 92 20.086 -1.656 4.993 1.00 0.00 C ATOM 1491 O SER A 92 20.154 -2.812 4.575 1.00 0.00 O ATOM 1492 CB SER A 92 18.731 -1.975 7.088 1.00 0.00 C ATOM 1493 OG SER A 92 18.649 -1.721 8.482 1.00 0.00 O ATOM 0 H SER A 92 19.245 0.579 6.534 1.00 0.00 H new ATOM 0 HA SER A 92 20.882 -1.854 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.863 -1.548 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.707 -3.050 6.908 1.00 0.00 H new ATOM 0 HG SER A 92 18.272 -0.829 8.630 1.00 0.00 H new ATOM 1499 N ILE A 93 20.094 -0.594 4.186 1.00 0.00 N ATOM 1500 CA ILE A 93 20.109 -0.727 2.724 1.00 0.00 C ATOM 1501 C ILE A 93 21.369 -1.460 2.242 1.00 0.00 C ATOM 1502 O ILE A 93 21.412 -1.976 1.122 1.00 0.00 O ATOM 1503 CB ILE A 93 20.012 0.659 2.029 1.00 0.00 C ATOM 1504 CG1 ILE A 93 19.869 0.505 0.502 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.225 1.525 2.373 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.626 -0.251 0.074 1.00 0.00 C ATOM 0 H ILE A 93 20.090 0.370 4.518 1.00 0.00 H new ATOM 0 HA ILE A 93 19.235 -1.318 2.450 1.00 0.00 H new ATOM 0 HB ILE A 93 19.118 1.158 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.855 1.495 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.748 -0.011 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.136 2.491 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.271 1.675 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.135 1.027 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.597 -0.317 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.646 -1.255 0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.740 0.275 0.429 1.00 0.00 H new ATOM 1518 N THR A 94 22.386 -1.507 3.099 1.00 0.00 N ATOM 1519 CA THR A 94 23.627 -2.214 2.793 1.00 0.00 C ATOM 1520 C THR A 94 23.354 -3.707 2.556 1.00 0.00 C ATOM 1521 O THR A 94 24.054 -4.367 1.780 1.00 0.00 O ATOM 1522 CB THR A 94 24.667 -2.032 3.932 1.00 0.00 C ATOM 1523 OG1 THR A 94 25.907 -2.671 3.595 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.148 -2.592 5.254 1.00 0.00 C ATOM 0 H THR A 94 22.374 -1.061 4.016 1.00 0.00 H new ATOM 0 HA THR A 94 24.041 -1.785 1.880 1.00 0.00 H new ATOM 0 HB THR A 94 24.835 -0.961 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.549 -2.544 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 94 24.900 -2.449 6.030 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.232 -2.072 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 94 23.941 -3.656 5.142 1.00 0.00 H new ATOM 1532 N GLN A 95 22.318 -4.228 3.211 1.00 0.00 N ATOM 1533 CA GLN A 95 21.916 -5.620 3.053 1.00 0.00 C ATOM 1534 C GLN A 95 20.402 -5.758 3.246 1.00 0.00 C ATOM 1535 O GLN A 95 19.926 -6.167 4.305 1.00 0.00 O ATOM 1536 CB GLN A 95 22.695 -6.524 4.029 1.00 0.00 C ATOM 1537 CG GLN A 95 22.600 -6.104 5.497 1.00 0.00 C ATOM 1538 CD GLN A 95 23.481 -6.942 6.415 1.00 0.00 C ATOM 1539 OE1 GLN A 95 24.620 -7.392 5.905 1.00 0.00 O flip ATOM 1540 NE2 GLN A 95 23.150 -7.169 7.580 1.00 0.00 N flip ATOM 0 H GLN A 95 21.738 -3.699 3.862 1.00 0.00 H new ATOM 0 HA GLN A 95 22.157 -5.945 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.326 -7.545 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.744 -6.535 3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 95 22.884 -5.056 5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 95 21.564 -6.183 5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 95 22.267 -6.807 7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 95 23.760 -7.719 8.185 1.00 0.00 H new ATOM 1549 N PRO A 96 19.622 -5.378 2.216 1.00 0.00 N ATOM 1550 CA PRO A 96 18.158 -5.416 2.278 1.00 0.00 C ATOM 1551 C PRO A 96 17.614 -6.845 2.193 1.00 0.00 C ATOM 1552 O PRO A 96 17.997 -7.615 1.310 1.00 0.00 O ATOM 1553 CB PRO A 96 17.737 -4.595 1.050 1.00 0.00 C ATOM 1554 CG PRO A 96 18.856 -4.774 0.080 1.00 0.00 C ATOM 1555 CD PRO A 96 20.108 -4.886 0.910 1.00 0.00 C ATOM 0 HA PRO A 96 17.771 -5.025 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.793 -4.953 0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.596 -3.544 1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.708 -5.668 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.917 -3.930 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.824 -5.576 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.611 -3.924 1.007 1.00 0.00 H new ATOM 1563 N THR A 97 16.735 -7.193 3.125 1.00 0.00 N ATOM 1564 CA THR A 97 16.099 -8.502 3.135 1.00 0.00 C ATOM 1565 C THR A 97 14.869 -8.501 2.226 1.00 0.00 C ATOM 1566 O THR A 97 14.479 -7.455 1.698 1.00 0.00 O ATOM 1567 CB THR A 97 15.684 -8.901 4.570 1.00 0.00 C ATOM 1568 OG1 THR A 97 14.803 -7.906 5.116 1.00 0.00 O ATOM 1569 CG2 THR A 97 16.904 -9.053 5.475 1.00 0.00 C ATOM 0 H THR A 97 16.446 -6.581 3.888 1.00 0.00 H new ATOM 0 HA THR A 97 16.820 -9.230 2.764 1.00 0.00 H new ATOM 0 HB THR A 97 15.171 -9.861 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.541 -8.164 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.581 -9.334 6.477 1.00 0.00 H new ATOM 0 HG22 THR A 97 17.560 -9.827 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.444 -8.107 5.520 1.00 0.00 H new ATOM 1577 N LEU A 98 14.247 -9.669 2.068 1.00 0.00 N ATOM 1578 CA LEU A 98 13.068 -9.821 1.212 1.00 0.00 C ATOM 1579 C LEU A 98 11.923 -8.930 1.705 1.00 0.00 C ATOM 1580 O LEU A 98 10.979 -8.633 0.972 1.00 0.00 O ATOM 1581 CB LEU A 98 12.624 -11.292 1.192 1.00 0.00 C ATOM 1582 CG LEU A 98 11.542 -11.649 0.159 1.00 0.00 C ATOM 1583 CD1 LEU A 98 12.054 -11.415 -1.260 1.00 0.00 C ATOM 1584 CD2 LEU A 98 11.080 -13.094 0.343 1.00 0.00 C ATOM 0 H LEU A 98 14.542 -10.531 2.526 1.00 0.00 H new ATOM 0 HA LEU A 98 13.330 -9.513 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 98 13.499 -11.914 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.254 -11.554 2.183 1.00 0.00 H new ATOM 0 HG LEU A 98 10.684 -10.996 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.274 -11.674 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 98 12.324 -10.366 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 98 12.930 -12.038 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.314 -13.328 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.928 -13.766 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.668 -13.219 1.344 1.00 0.00 H new ATOM 1596 N HIS A 99 12.017 -8.512 2.963 1.00 0.00 N ATOM 1597 CA HIS A 99 11.030 -7.627 3.573 1.00 0.00 C ATOM 1598 C HIS A 99 11.729 -6.429 4.216 1.00 0.00 C ATOM 1599 O HIS A 99 11.334 -5.962 5.281 1.00 0.00 O ATOM 1600 CB HIS A 99 10.191 -8.394 4.612 1.00 0.00 C ATOM 1601 CG HIS A 99 9.142 -9.282 4.006 1.00 0.00 C ATOM 1602 ND1 HIS A 99 7.791 -9.014 4.088 1.00 0.00 N ATOM 1603 CD2 HIS A 99 9.249 -10.434 3.303 1.00 0.00 C ATOM 1604 CE1 HIS A 99 7.117 -9.958 3.462 1.00 0.00 C ATOM 1605 NE2 HIS A 99 7.978 -10.833 2.975 1.00 0.00 N ATOM 0 H HIS A 99 12.778 -8.777 3.588 1.00 0.00 H new ATOM 0 HA HIS A 99 10.357 -7.260 2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.856 -9.000 5.227 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.708 -7.677 5.276 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.378 -8.210 4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.166 -10.945 3.048 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.043 -10.008 3.364 1.00 0.00 H new ATOM 1614 N SER A 100 12.759 -5.924 3.542 1.00 0.00 N ATOM 1615 CA SER A 100 13.523 -4.779 4.034 1.00 0.00 C ATOM 1616 C SER A 100 12.622 -3.550 4.216 1.00 0.00 C ATOM 1617 O SER A 100 12.861 -2.717 5.092 1.00 0.00 O ATOM 1618 CB SER A 100 14.666 -4.458 3.064 1.00 0.00 C ATOM 1619 OG SER A 100 15.537 -3.471 3.591 1.00 0.00 O ATOM 0 H SER A 100 13.086 -6.292 2.648 1.00 0.00 H new ATOM 0 HA SER A 100 13.940 -5.039 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.230 -5.366 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.253 -4.111 2.117 1.00 0.00 H new ATOM 0 HG SER A 100 16.158 -3.176 2.892 1.00 0.00 H new ATOM 1625 N PHE A 101 11.586 -3.447 3.386 1.00 0.00 N ATOM 1626 CA PHE A 101 10.662 -2.309 3.432 1.00 0.00 C ATOM 1627 C PHE A 101 9.341 -2.715 4.089 1.00 0.00 C ATOM 1628 O PHE A 101 8.325 -2.038 3.931 1.00 0.00 O ATOM 1629 CB PHE A 101 10.402 -1.782 2.014 1.00 0.00 C ATOM 1630 CG PHE A 101 11.658 -1.463 1.235 1.00 0.00 C ATOM 1631 CD1 PHE A 101 12.281 -0.230 1.364 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.209 -2.401 0.371 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.429 0.059 0.650 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.356 -2.115 -0.344 1.00 0.00 C ATOM 1635 CZ PHE A 101 13.967 -0.883 -0.206 1.00 0.00 C ATOM 0 H PHE A 101 11.363 -4.139 2.670 1.00 0.00 H new ATOM 0 HA PHE A 101 11.118 -1.518 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 101 9.824 -2.523 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.789 -0.883 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.865 0.512 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.735 -3.365 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.906 1.022 0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 101 13.775 -2.854 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 101 14.863 -0.657 -0.766 1.00 0.00 H new ATOM 1645 N ASP A 102 9.373 -3.812 4.847 1.00 0.00 N ATOM 1646 CA ASP A 102 8.168 -4.375 5.467 1.00 0.00 C ATOM 1647 C ASP A 102 7.495 -3.361 6.392 1.00 0.00 C ATOM 1648 O ASP A 102 6.270 -3.211 6.384 1.00 0.00 O ATOM 1649 CB ASP A 102 8.524 -5.643 6.253 1.00 0.00 C ATOM 1650 CG ASP A 102 7.304 -6.410 6.737 1.00 0.00 C ATOM 1651 OD1 ASP A 102 6.652 -7.080 5.908 1.00 0.00 O ATOM 1652 OD2 ASP A 102 6.998 -6.360 7.947 1.00 0.00 O ATOM 0 H ASP A 102 10.226 -4.333 5.049 1.00 0.00 H new ATOM 0 HA ASP A 102 7.467 -4.627 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.129 -6.295 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.138 -5.370 7.111 1.00 0.00 H new ATOM 1657 N ALA A 103 8.305 -2.659 7.182 1.00 0.00 N ATOM 1658 CA ALA A 103 7.790 -1.647 8.100 1.00 0.00 C ATOM 1659 C ALA A 103 7.245 -0.458 7.317 1.00 0.00 C ATOM 1660 O ALA A 103 6.188 0.086 7.644 1.00 0.00 O ATOM 1661 CB ALA A 103 8.878 -1.200 9.072 1.00 0.00 C ATOM 0 H ALA A 103 9.318 -2.772 7.205 1.00 0.00 H new ATOM 0 HA ALA A 103 6.977 -2.083 8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.475 -0.446 9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.224 -2.057 9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.713 -0.777 8.514 1.00 0.00 H new ATOM 1667 N ALA A 104 7.974 -0.072 6.268 1.00 0.00 N ATOM 1668 CA ALA A 104 7.558 1.026 5.396 1.00 0.00 C ATOM 1669 C ALA A 104 6.192 0.727 4.790 1.00 0.00 C ATOM 1670 O ALA A 104 5.336 1.611 4.685 1.00 0.00 O ATOM 1671 CB ALA A 104 8.594 1.258 4.300 1.00 0.00 C ATOM 0 H ALA A 104 8.858 -0.506 6.002 1.00 0.00 H new ATOM 0 HA ALA A 104 7.481 1.936 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.269 2.078 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.553 1.509 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.701 0.352 3.703 1.00 0.00 H new ATOM 1677 N GLN A 105 5.999 -0.535 4.416 1.00 0.00 N ATOM 1678 CA GLN A 105 4.736 -1.005 3.861 1.00 0.00 C ATOM 1679 C GLN A 105 3.603 -0.733 4.851 1.00 0.00 C ATOM 1680 O GLN A 105 2.593 -0.125 4.498 1.00 0.00 O ATOM 1681 CB GLN A 105 4.843 -2.511 3.533 1.00 0.00 C ATOM 1682 CG GLN A 105 3.644 -3.108 2.786 1.00 0.00 C ATOM 1683 CD GLN A 105 2.435 -3.368 3.673 1.00 0.00 C ATOM 1684 OE1 GLN A 105 2.569 -3.653 4.861 1.00 0.00 O ATOM 1685 NE2 GLN A 105 1.244 -3.277 3.098 1.00 0.00 N ATOM 0 H GLN A 105 6.714 -1.259 4.490 1.00 0.00 H new ATOM 0 HA GLN A 105 4.516 -0.469 2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.740 -2.672 2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.979 -3.060 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.354 -2.431 1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.948 -4.045 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.172 -3.038 2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.400 -3.446 3.645 1.00 0.00 H new ATOM 1694 N SER A 106 3.801 -1.161 6.094 1.00 0.00 N ATOM 1695 CA SER A 106 2.793 -1.010 7.140 1.00 0.00 C ATOM 1696 C SER A 106 2.518 0.469 7.434 1.00 0.00 C ATOM 1697 O SER A 106 1.375 0.857 7.682 1.00 0.00 O ATOM 1698 CB SER A 106 3.244 -1.735 8.417 1.00 0.00 C ATOM 1699 OG SER A 106 2.261 -1.655 9.439 1.00 0.00 O ATOM 0 H SER A 106 4.658 -1.619 6.404 1.00 0.00 H new ATOM 0 HA SER A 106 1.865 -1.459 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.448 -2.781 8.189 1.00 0.00 H new ATOM 0 HB3 SER A 106 4.177 -1.298 8.774 1.00 0.00 H new ATOM 0 HG SER A 106 2.579 -2.127 10.236 1.00 0.00 H new ATOM 1705 N ARG A 107 3.562 1.295 7.389 1.00 0.00 N ATOM 1706 CA ARG A 107 3.420 2.719 7.683 1.00 0.00 C ATOM 1707 C ARG A 107 2.584 3.421 6.613 1.00 0.00 C ATOM 1708 O ARG A 107 1.670 4.175 6.932 1.00 0.00 O ATOM 1709 CB ARG A 107 4.789 3.389 7.827 1.00 0.00 C ATOM 1710 CG ARG A 107 5.631 2.854 8.986 1.00 0.00 C ATOM 1711 CD ARG A 107 4.907 2.952 10.327 1.00 0.00 C ATOM 1712 NE ARG A 107 4.499 4.323 10.648 1.00 0.00 N ATOM 1713 CZ ARG A 107 4.889 4.986 11.741 1.00 0.00 C ATOM 1714 NH1 ARG A 107 5.746 4.438 12.595 1.00 0.00 N ATOM 1715 NH2 ARG A 107 4.429 6.205 11.977 1.00 0.00 N ATOM 0 H ARG A 107 4.511 1.004 7.153 1.00 0.00 H new ATOM 0 HA ARG A 107 2.896 2.811 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.345 3.258 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.644 4.461 7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.891 1.813 8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.566 3.412 9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.027 2.310 10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.559 2.577 11.116 1.00 0.00 H new ATOM 0 HE ARG A 107 3.878 4.801 9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 107 6.113 3.503 12.420 1.00 0.00 H new ATOM 0 HH12 ARG A 107 6.037 4.953 13.426 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.776 6.639 11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.727 6.710 12.811 1.00 0.00 H new ATOM 1729 N VAL A 108 2.884 3.162 5.346 1.00 0.00 N ATOM 1730 CA VAL A 108 2.113 3.750 4.250 1.00 0.00 C ATOM 1731 C VAL A 108 0.705 3.150 4.222 1.00 0.00 C ATOM 1732 O VAL A 108 -0.278 3.832 3.916 1.00 0.00 O ATOM 1733 CB VAL A 108 2.816 3.538 2.886 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.002 4.159 1.752 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.229 4.121 2.923 1.00 0.00 C ATOM 0 H VAL A 108 3.648 2.555 5.050 1.00 0.00 H new ATOM 0 HA VAL A 108 2.043 4.824 4.423 1.00 0.00 H new ATOM 0 HB VAL A 108 2.888 2.467 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.516 3.997 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.017 3.694 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.892 5.229 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.712 3.965 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.177 5.189 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.807 3.625 3.703 1.00 0.00 H new ATOM 1745 N TYR A 109 0.628 1.870 4.567 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.638 1.156 4.700 1.00 0.00 C ATOM 1747 C TYR A 109 -1.562 1.879 5.684 1.00 0.00 C ATOM 1748 O TYR A 109 -2.710 2.185 5.355 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.342 -0.291 5.150 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.495 -1.060 5.788 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.837 -0.867 7.127 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -2.215 -2.007 5.066 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.857 -1.586 7.720 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -3.241 -2.728 5.653 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.556 -2.513 6.980 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.568 -3.238 7.573 1.00 0.00 O ATOM 0 H TYR A 109 1.447 1.294 4.764 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.156 1.129 3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.003 -0.853 4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.484 -0.264 5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.293 -0.140 7.712 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -1.969 -2.183 4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.105 -1.422 8.758 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.792 -3.455 5.076 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.979 -2.704 8.285 1.00 0.00 H new ATOM 1766 N GLN A 110 -1.048 2.175 6.879 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.850 2.822 7.916 1.00 0.00 C ATOM 1768 C GLN A 110 -2.167 4.271 7.542 1.00 0.00 C ATOM 1769 O GLN A 110 -3.210 4.796 7.924 1.00 0.00 O ATOM 1770 CB GLN A 110 -1.150 2.755 9.284 1.00 0.00 C ATOM 1771 CG GLN A 110 0.163 3.524 9.360 1.00 0.00 C ATOM 1772 CD GLN A 110 0.844 3.429 10.718 1.00 0.00 C ATOM 1773 OE1 GLN A 110 0.665 2.310 11.406 1.00 0.00 O flip ATOM 1774 NE2 GLN A 110 1.535 4.355 11.142 1.00 0.00 N flip ATOM 0 H GLN A 110 -0.085 1.978 7.151 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.791 2.277 7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.828 3.143 10.044 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.959 1.710 9.530 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.841 3.146 8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.025 4.573 9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.651 5.202 10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.992 4.276 12.050 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.274 4.907 6.781 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.498 6.277 6.312 1.00 0.00 C ATOM 1785 C LEU A 111 -2.722 6.336 5.401 1.00 0.00 C ATOM 1786 O LEU A 111 -3.551 7.240 5.513 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.263 6.814 5.569 1.00 0.00 C ATOM 1788 CG LEU A 111 0.969 7.092 6.449 1.00 0.00 C ATOM 1789 CD1 LEU A 111 2.155 7.540 5.597 1.00 0.00 C ATOM 1790 CD2 LEU A 111 0.648 8.136 7.517 1.00 0.00 C ATOM 0 H LEU A 111 -0.391 4.497 6.477 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.675 6.906 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.017 6.096 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.540 7.737 5.059 1.00 0.00 H new ATOM 0 HG LEU A 111 1.242 6.164 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.014 7.731 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.405 6.757 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.894 8.452 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.533 8.317 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.342 9.066 7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.161 7.772 8.150 1.00 0.00 H new ATOM 1802 N MET A 112 -2.834 5.364 4.500 1.00 0.00 N ATOM 1803 CA MET A 112 -3.987 5.282 3.606 1.00 0.00 C ATOM 1804 C MET A 112 -5.211 4.791 4.374 1.00 0.00 C ATOM 1805 O MET A 112 -6.345 5.117 4.033 1.00 0.00 O ATOM 1806 CB MET A 112 -3.704 4.347 2.423 1.00 0.00 C ATOM 1807 CG MET A 112 -2.511 4.762 1.572 1.00 0.00 C ATOM 1808 SD MET A 112 -2.300 3.710 0.120 1.00 0.00 S ATOM 1809 CE MET A 112 -2.314 2.083 0.870 1.00 0.00 C ATOM 0 H MET A 112 -2.144 4.624 4.369 1.00 0.00 H new ATOM 0 HA MET A 112 -4.183 6.280 3.214 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.532 3.340 2.803 1.00 0.00 H new ATOM 0 HB3 MET A 112 -4.590 4.302 1.790 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.639 5.796 1.252 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.606 4.725 2.178 1.00 0.00 H new ATOM 0 HE1 MET A 112 -1.900 1.356 0.171 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.712 2.096 1.779 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.339 1.805 1.118 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.964 4.005 5.415 1.00 0.00 N ATOM 1820 CA GLU A 113 -6.028 3.471 6.256 1.00 0.00 C ATOM 1821 C GLU A 113 -6.822 4.614 6.901 1.00 0.00 C ATOM 1822 O GLU A 113 -7.993 4.837 6.574 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.414 2.532 7.316 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.412 1.839 8.250 1.00 0.00 C ATOM 1825 CD GLU A 113 -6.870 2.720 9.406 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -6.005 3.314 10.084 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -8.093 2.820 9.642 1.00 0.00 O ATOM 0 H GLU A 113 -4.026 3.721 5.699 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.726 2.895 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.833 1.766 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.716 3.108 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.283 1.528 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.955 0.934 8.651 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.151 5.364 7.766 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.784 6.419 8.558 1.00 0.00 C ATOM 1836 C GLN A 114 -7.506 7.465 7.697 1.00 0.00 C ATOM 1837 O GLN A 114 -8.488 8.066 8.145 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.731 7.092 9.452 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.472 7.522 8.706 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.381 8.030 9.632 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -2.549 7.261 10.120 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -3.367 9.328 9.870 1.00 0.00 N ATOM 0 H GLN A 114 -5.151 5.260 7.941 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.550 5.948 9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.177 7.966 9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.452 6.403 10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.090 6.678 8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.728 8.304 7.991 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -4.073 9.932 9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.651 9.728 10.476 1.00 0.00 H new ATOM 1851 N ASP A 115 -7.034 7.675 6.468 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.604 8.707 5.592 1.00 0.00 C ATOM 1853 C ASP A 115 -8.462 8.109 4.471 1.00 0.00 C ATOM 1854 O ASP A 115 -9.663 8.373 4.389 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.489 9.586 4.997 1.00 0.00 C ATOM 1856 CG ASP A 115 -5.896 10.555 6.014 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -4.976 10.165 6.761 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -6.358 11.716 6.079 1.00 0.00 O ATOM 0 H ASP A 115 -6.263 7.149 6.055 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.258 9.324 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.697 8.946 4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.888 10.150 4.154 1.00 0.00 H new ATOM 1863 N SER A 116 -7.849 7.314 3.604 1.00 0.00 N ATOM 1864 CA SER A 116 -8.529 6.801 2.413 1.00 0.00 C ATOM 1865 C SER A 116 -9.504 5.664 2.754 1.00 0.00 C ATOM 1866 O SER A 116 -10.594 5.582 2.184 1.00 0.00 O ATOM 1867 CB SER A 116 -7.487 6.324 1.393 1.00 0.00 C ATOM 1868 OG SER A 116 -6.489 7.312 1.185 1.00 0.00 O ATOM 0 H SER A 116 -6.881 7.008 3.700 1.00 0.00 H new ATOM 0 HA SER A 116 -9.118 7.612 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.024 5.402 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.978 6.093 0.448 1.00 0.00 H new ATOM 0 HG SER A 116 -6.785 7.935 0.489 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.119 4.806 3.698 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.901 3.611 4.029 1.00 0.00 C ATOM 1876 C TYR A 117 -11.174 3.979 4.792 1.00 0.00 C ATOM 1877 O TYR A 117 -12.241 3.414 4.539 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.019 2.641 4.825 1.00 0.00 C ATOM 1879 CG TYR A 117 -9.748 1.574 5.623 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.265 0.435 5.013 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -9.889 1.700 7.000 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -10.901 -0.542 5.754 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -10.516 0.725 7.746 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.021 -0.391 7.121 1.00 0.00 C ATOM 1885 OH TYR A 117 -11.637 -1.366 7.871 1.00 0.00 O ATOM 0 H TYR A 117 -8.268 4.915 4.250 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.221 3.120 3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.341 2.146 4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.404 3.222 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.168 0.313 3.944 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.500 2.578 7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.302 -1.419 5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -10.610 0.837 8.816 1.00 0.00 H new ATOM 0 HH TYR A 117 -11.805 -2.152 7.311 1.00 0.00 H new ATOM 1895 N THR A 118 -11.062 4.932 5.711 1.00 0.00 N ATOM 1896 CA THR A 118 -12.223 5.435 6.438 1.00 0.00 C ATOM 1897 C THR A 118 -13.261 5.973 5.451 1.00 0.00 C ATOM 1898 O THR A 118 -14.431 5.571 5.464 1.00 0.00 O ATOM 1899 CB THR A 118 -11.812 6.555 7.421 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.017 7.530 6.734 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.023 5.994 8.601 1.00 0.00 C ATOM 0 H THR A 118 -10.179 5.372 5.971 1.00 0.00 H new ATOM 0 HA THR A 118 -12.654 4.612 7.009 1.00 0.00 H new ATOM 0 HB THR A 118 -12.720 7.019 7.806 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.194 7.696 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 118 -10.749 6.806 9.274 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.636 5.270 9.137 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.120 5.505 8.235 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.805 6.871 4.584 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.642 7.443 3.533 1.00 0.00 C ATOM 1911 C ARG A 119 -14.194 6.351 2.617 1.00 0.00 C ATOM 1912 O ARG A 119 -15.346 6.413 2.190 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.831 8.458 2.718 1.00 0.00 C ATOM 1914 CG ARG A 119 -12.506 9.746 3.477 1.00 0.00 C ATOM 1915 CD ARG A 119 -11.434 10.565 2.767 1.00 0.00 C ATOM 1916 NE ARG A 119 -11.695 10.693 1.331 1.00 0.00 N ATOM 1917 CZ ARG A 119 -10.869 10.256 0.380 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -9.712 9.693 0.708 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -11.192 10.384 -0.897 1.00 0.00 N ATOM 0 H ARG A 119 -11.848 7.223 4.589 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.486 7.949 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.899 7.991 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -13.387 8.711 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.411 10.344 3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -12.168 9.500 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -11.382 11.557 3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.462 10.096 2.917 1.00 0.00 H new ATOM 0 HE ARG A 119 -12.562 11.144 1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.453 9.594 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.082 9.360 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.077 10.819 -1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.556 10.048 -1.620 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.369 5.346 2.329 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.773 4.238 1.467 1.00 0.00 C ATOM 1935 C PHE A 120 -14.952 3.481 2.076 1.00 0.00 C ATOM 1936 O PHE A 120 -15.870 3.073 1.366 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.597 3.282 1.224 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.935 2.123 0.315 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -13.023 2.305 -1.058 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.173 0.856 0.834 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.338 1.250 -1.893 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.489 -0.200 0.002 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.571 -0.004 -1.363 1.00 0.00 C ATOM 0 H PHE A 120 -12.414 5.277 2.681 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.086 4.653 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.768 3.842 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.253 2.893 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.843 3.283 -1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.110 0.695 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.402 1.406 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.672 -1.179 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.817 -0.830 -2.014 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.933 3.305 3.393 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.018 2.611 4.083 1.00 0.00 C ATOM 1955 C LEU A 121 -17.290 3.453 4.081 1.00 0.00 C ATOM 1956 O LEU A 121 -18.399 2.921 4.147 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.620 2.275 5.525 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.447 1.295 5.677 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.171 1.022 7.152 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -14.722 -0.007 4.925 1.00 0.00 C ATOM 0 H LEU A 121 -14.183 3.631 4.003 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.211 1.682 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.365 3.202 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.488 1.857 6.035 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.560 1.752 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.337 0.326 7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -13.920 1.956 7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.058 0.588 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.877 -0.684 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -15.622 -0.474 5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -14.864 0.208 3.866 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.127 4.767 4.015 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.266 5.680 4.028 1.00 0.00 C ATOM 1974 C LYS A 122 -18.602 6.165 2.611 1.00 0.00 C ATOM 1975 O LYS A 122 -19.528 6.957 2.421 1.00 0.00 O ATOM 1976 CB LYS A 122 -17.961 6.871 4.952 1.00 0.00 C ATOM 1977 CG LYS A 122 -19.156 7.776 5.281 1.00 0.00 C ATOM 1978 CD LYS A 122 -20.159 7.125 6.247 1.00 0.00 C ATOM 1979 CE LYS A 122 -21.126 6.166 5.551 1.00 0.00 C ATOM 1980 NZ LYS A 122 -22.053 5.513 6.516 1.00 0.00 N ATOM 0 H LYS A 122 -16.218 5.226 3.952 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.137 5.147 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.550 6.488 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -17.184 7.479 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -18.791 8.705 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.670 8.039 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -19.612 6.583 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.730 7.906 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.704 6.712 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.559 5.402 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -22.691 4.871 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -21.503 4.971 7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.613 6.240 7.006 1.00 0.00 H new ATOM 1994 N SER A 123 -17.857 5.677 1.619 1.00 0.00 N ATOM 1995 CA SER A 123 -18.048 6.104 0.234 1.00 0.00 C ATOM 1996 C SER A 123 -19.425 5.685 -0.279 1.00 0.00 C ATOM 1997 O SER A 123 -19.957 4.642 0.117 1.00 0.00 O ATOM 1998 CB SER A 123 -16.953 5.520 -0.668 1.00 0.00 C ATOM 1999 OG SER A 123 -17.092 4.115 -0.805 1.00 0.00 O ATOM 0 H SER A 123 -17.117 4.987 1.749 1.00 0.00 H new ATOM 0 HA SER A 123 -17.983 7.192 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 123 -17.000 5.990 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.973 5.751 -0.250 1.00 0.00 H new ATOM 0 HG SER A 123 -16.585 3.666 -0.097 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.988 6.493 -1.172 1.00 0.00 N ATOM 2006 CA ASP A 124 -21.313 6.232 -1.724 1.00 0.00 C ATOM 2007 C ASP A 124 -21.317 4.922 -2.511 1.00 0.00 C ATOM 2008 O ASP A 124 -22.302 4.178 -2.499 1.00 0.00 O ATOM 2009 CB ASP A 124 -21.755 7.396 -2.622 1.00 0.00 C ATOM 2010 CG ASP A 124 -23.205 7.278 -3.063 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -24.100 7.387 -2.197 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -23.461 7.093 -4.273 1.00 0.00 O ATOM 0 H ASP A 124 -19.544 7.339 -1.530 1.00 0.00 H new ATOM 0 HA ASP A 124 -22.019 6.141 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -21.618 8.335 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -21.114 7.434 -3.502 1.00 0.00 H new ATOM 2017 N ILE A 125 -20.197 4.641 -3.180 1.00 0.00 N ATOM 2018 CA ILE A 125 -20.041 3.403 -3.941 1.00 0.00 C ATOM 2019 C ILE A 125 -20.081 2.184 -3.014 1.00 0.00 C ATOM 2020 O ILE A 125 -20.695 1.166 -3.341 1.00 0.00 O ATOM 2021 CB ILE A 125 -18.726 3.397 -4.773 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -18.561 2.069 -5.542 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -17.511 3.659 -3.884 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -19.680 1.778 -6.525 1.00 0.00 C ATOM 0 H ILE A 125 -19.384 5.256 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 125 -20.879 3.347 -4.636 1.00 0.00 H new ATOM 0 HB ILE A 125 -18.793 4.205 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -17.614 2.090 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -18.501 1.251 -4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -16.606 3.649 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -17.615 4.632 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -17.444 2.883 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -19.488 0.828 -7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -20.628 1.723 -5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -19.728 2.574 -7.268 1.00 0.00 H new ATOM 2036 N TYR A 126 -19.444 2.297 -1.848 1.00 0.00 N ATOM 2037 CA TYR A 126 -19.446 1.212 -0.868 1.00 0.00 C ATOM 2038 C TYR A 126 -20.878 0.903 -0.438 1.00 0.00 C ATOM 2039 O TYR A 126 -21.278 -0.261 -0.339 1.00 0.00 O ATOM 2040 CB TYR A 126 -18.592 1.587 0.352 1.00 0.00 C ATOM 2041 CG TYR A 126 -18.536 0.509 1.423 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.638 -0.549 1.328 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -19.381 0.551 2.529 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.585 -1.530 2.301 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -19.333 -0.425 3.505 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.434 -1.463 3.386 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.383 -2.436 4.359 1.00 0.00 O ATOM 0 H TYR A 126 -18.922 3.125 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 126 -19.015 0.323 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -17.578 1.807 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.988 2.502 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.971 -0.605 0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -20.087 1.362 2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.882 -2.345 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -19.996 -0.375 4.356 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.534 -2.921 4.292 1.00 0.00 H new ATOM 2057 N LEU A 127 -21.649 1.959 -0.205 1.00 0.00 N ATOM 2058 CA LEU A 127 -23.042 1.824 0.208 1.00 0.00 C ATOM 2059 C LEU A 127 -23.875 1.201 -0.916 1.00 0.00 C ATOM 2060 O LEU A 127 -24.834 0.468 -0.660 1.00 0.00 O ATOM 2061 CB LEU A 127 -23.603 3.196 0.611 1.00 0.00 C ATOM 2062 CG LEU A 127 -22.798 3.930 1.700 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -23.434 5.273 2.034 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -22.663 3.066 2.954 1.00 0.00 C ATOM 0 H LEU A 127 -21.331 2.924 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 127 -23.094 1.161 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -23.648 3.829 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -24.627 3.065 0.962 1.00 0.00 H new ATOM 0 HG LEU A 127 -21.798 4.118 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -22.847 5.772 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -23.461 5.895 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -24.450 5.114 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -22.091 3.606 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -23.654 2.836 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -22.148 2.139 2.703 1.00 0.00 H new ATOM 2076 N ASP A 128 -23.485 1.478 -2.161 1.00 0.00 N ATOM 2077 CA ASP A 128 -24.147 0.891 -3.330 1.00 0.00 C ATOM 2078 C ASP A 128 -23.939 -0.623 -3.343 1.00 0.00 C ATOM 2079 O ASP A 128 -24.846 -1.385 -3.691 1.00 0.00 O ATOM 2080 CB ASP A 128 -23.611 1.506 -4.633 1.00 0.00 C ATOM 2081 CG ASP A 128 -24.330 0.979 -5.869 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -25.412 1.509 -6.203 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -23.819 0.040 -6.520 1.00 0.00 O ATOM 0 H ASP A 128 -22.713 2.106 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 128 -25.213 1.108 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -23.718 2.590 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -22.545 1.294 -4.719 1.00 0.00 H new ATOM 2088 N LEU A 129 -22.737 -1.050 -2.959 1.00 0.00 N ATOM 2089 CA LEU A 129 -22.429 -2.472 -2.839 1.00 0.00 C ATOM 2090 C LEU A 129 -23.331 -3.113 -1.786 1.00 0.00 C ATOM 2091 O LEU A 129 -23.843 -4.220 -1.975 1.00 0.00 O ATOM 2092 CB LEU A 129 -20.952 -2.677 -2.461 1.00 0.00 C ATOM 2093 CG LEU A 129 -19.928 -2.073 -3.438 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -18.501 -2.297 -2.934 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -20.106 -2.659 -4.838 1.00 0.00 C ATOM 0 H LEU A 129 -21.961 -0.430 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 129 -22.608 -2.948 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -20.784 -2.246 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -20.761 -3.747 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 129 -20.104 -0.999 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -17.793 -1.862 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -18.380 -1.822 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -18.311 -3.366 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -19.372 -2.218 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -19.963 -3.739 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -21.110 -2.438 -5.200 1.00 0.00 H new ATOM 2107 N MET A 130 -23.541 -2.389 -0.686 1.00 0.00 N ATOM 2108 CA MET A 130 -24.390 -2.859 0.408 1.00 0.00 C ATOM 2109 C MET A 130 -25.837 -2.994 -0.061 1.00 0.00 C ATOM 2110 O MET A 130 -26.563 -3.888 0.381 1.00 0.00 O ATOM 2111 CB MET A 130 -24.305 -1.905 1.610 1.00 0.00 C ATOM 2112 CG MET A 130 -22.888 -1.707 2.135 1.00 0.00 C ATOM 2113 SD MET A 130 -22.050 -3.265 2.494 1.00 0.00 S ATOM 2114 CE MET A 130 -23.135 -3.965 3.734 1.00 0.00 C ATOM 0 H MET A 130 -23.131 -1.468 -0.529 1.00 0.00 H new ATOM 0 HA MET A 130 -24.032 -3.840 0.722 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.716 -0.937 1.324 1.00 0.00 H new ATOM 0 HB3 MET A 130 -24.931 -2.292 2.415 1.00 0.00 H new ATOM 0 HG2 MET A 130 -22.308 -1.149 1.400 1.00 0.00 H new ATOM 0 HG3 MET A 130 -22.922 -1.101 3.041 1.00 0.00 H new ATOM 0 HE1 MET A 130 -22.850 -5.000 3.924 1.00 0.00 H new ATOM 0 HE2 MET A 130 -23.052 -3.390 4.656 1.00 0.00 H new ATOM 0 HE3 MET A 130 -24.164 -3.932 3.377 1.00 0.00 H new ATOM 2124 N GLU A 131 -26.240 -2.101 -0.970 1.00 0.00 N ATOM 2125 CA GLU A 131 -27.571 -2.147 -1.580 1.00 0.00 C ATOM 2126 C GLU A 131 -27.778 -3.478 -2.306 1.00 0.00 C ATOM 2127 O GLU A 131 -28.906 -3.957 -2.446 1.00 0.00 O ATOM 2128 CB GLU A 131 -27.744 -0.969 -2.556 1.00 0.00 C ATOM 2129 CG GLU A 131 -29.087 -0.936 -3.284 1.00 0.00 C ATOM 2130 CD GLU A 131 -30.277 -0.859 -2.338 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -30.475 0.203 -1.712 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -31.021 -1.854 -2.219 1.00 0.00 O ATOM 0 H GLU A 131 -25.658 -1.332 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 131 -28.322 -2.064 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -27.622 -0.037 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -26.945 -1.008 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -29.108 -0.078 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -29.180 -1.828 -3.903 1.00 0.00 H new ATOM 2139 N GLY A 132 -26.676 -4.075 -2.753 1.00 0.00 N ATOM 2140 CA GLY A 132 -26.736 -5.363 -3.416 1.00 0.00 C ATOM 2141 C GLY A 132 -27.308 -6.442 -2.516 1.00 0.00 C ATOM 2142 O GLY A 132 -28.040 -7.322 -2.979 1.00 0.00 O ATOM 0 H GLY A 132 -25.738 -3.685 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -27.347 -5.280 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -25.735 -5.652 -3.737 1.00 0.00 H new ATOM 2146 N ARG A 133 -26.976 -6.356 -1.219 1.00 0.00 N ATOM 2147 CA ARG A 133 -27.441 -7.317 -0.212 1.00 0.00 C ATOM 2148 C ARG A 133 -26.879 -8.721 -0.482 1.00 0.00 C ATOM 2149 O ARG A 133 -26.639 -9.092 -1.633 1.00 0.00 O ATOM 2150 CB ARG A 133 -28.977 -7.335 -0.164 1.00 0.00 C ATOM 2151 CG ARG A 133 -29.587 -6.041 0.378 1.00 0.00 C ATOM 2152 CD ARG A 133 -31.004 -5.831 -0.136 1.00 0.00 C ATOM 2153 NE ARG A 133 -31.012 -5.615 -1.584 1.00 0.00 N ATOM 2154 CZ ARG A 133 -31.891 -6.154 -2.427 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -32.867 -6.936 -1.977 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -31.790 -5.910 -3.727 1.00 0.00 N ATOM 0 H ARG A 133 -26.379 -5.620 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 133 -27.069 -6.999 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -29.362 -7.516 -1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -29.303 -8.169 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -29.595 -6.071 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -28.965 -5.195 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -31.616 -6.699 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -31.453 -4.974 0.365 1.00 0.00 H new ATOM 0 HE ARG A 133 -30.292 -5.008 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -32.947 -7.128 -0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -33.536 -7.344 -2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -31.042 -5.312 -4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -32.461 -6.321 -4.377 1.00 0.00 H new ATOM 2170 N PRO A 134 -26.621 -9.509 0.580 1.00 0.00 N ATOM 2171 CA PRO A 134 -26.078 -10.865 0.443 1.00 0.00 C ATOM 2172 C PRO A 134 -27.019 -11.792 -0.333 1.00 0.00 C ATOM 2173 O PRO A 134 -27.864 -12.473 0.252 1.00 0.00 O ATOM 2174 CB PRO A 134 -25.898 -11.346 1.898 1.00 0.00 C ATOM 2175 CG PRO A 134 -25.918 -10.100 2.723 1.00 0.00 C ATOM 2176 CD PRO A 134 -26.828 -9.145 1.996 1.00 0.00 C ATOM 0 HA PRO A 134 -25.148 -10.873 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -26.698 -12.026 2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -24.959 -11.886 2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -26.286 -10.302 3.729 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -24.916 -9.683 2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -27.868 -9.269 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -26.562 -8.106 2.190 1.00 0.00 H new TER 2184 PRO A 134