USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1058 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 17 HIS : no HE2:sc= -0.112 X(o=-0.94,f=-1.1) USER MOD Set 1.2: B 141 MET CE :methyl -144:sc= -0.826 (180deg=-2.44!) USER MOD Set 2.1: B 122 HIS : no HE2:sc= 0.649 K(o=1.2,f=-4!) USER MOD Set 2.2: B 123 SER OG : rot 180:sc= 0.581 USER MOD Set 3.1: B 104 SER OG : rot -104:sc= 1.02 USER MOD Set 3.2: B 106 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 59 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.18) USER MOD Set 4.2: A 60 SER OG : rot 180:sc= 0.00756 USER MOD Set 5.1: A 11 THR OG1 : rot 153:sc= 2.08 USER MOD Set 5.2: B 136 SER OG : rot -78:sc= 1.37 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0541 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -117:sc= 0.907 (180deg=-0.533) USER MOD Single : A 7 HIS : no HD1:sc= -0.959 K(o=-0.96,f=0.28) USER MOD Single : A 9 HIS : no HD1:sc= -2.39! K(o=-2.4!,f=-1.1) USER MOD Single : A 12 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.26) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 0.779 (180deg=0.377!) USER MOD Single : A 24 GLN : amide:sc= 0.514 K(o=0.51,f=-0.78) USER MOD Single : A 29 THR OG1 : rot -96:sc= -0.128 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 172:sc= -8.11! (180deg=-8.48!) USER MOD Single : A 42 ASN : amide:sc= -1.95! K(o=-2!,f=-0.0088) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc=-0.00178 (180deg=-0.0782) USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= -0.107 (180deg=-0.468) USER MOD Single : A 54 MET CE :methyl 165:sc= -1.44! (180deg=-2.69!) USER MOD Single : A 55 TYR OH : rot -30:sc= -0.0185 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 35:sc= 0.948 USER MOD Single : A 65 TYR OH : rot -117:sc= 0.145 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= -0.192 (180deg=-0.266) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.89! C(o=-1.9!,f=-1.5!) USER MOD Single : A 77 LYS NZ :NH3+ -108:sc= -0.555 (180deg=-1.21!) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= -1.68! (180deg=-1.83!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.113 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 105 HIS : no HE2:sc= 0.0733 X(o=0.073,f=-0.42) USER MOD Single : B 108 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 109 GLN : amide:sc= -0.0967 K(o=-0.097,f=-13!) USER MOD Single : B 110 THR OG1 : rot 112:sc= 1.24 USER MOD Single : B 112 GLN : amide:sc= 0.385 K(o=0.38,f=-3.8!) USER MOD Single : B 116 THR OG1 : rot 74:sc= 1.23 USER MOD Single : B 117 SER OG : rot -164:sc= 1.22 USER MOD Single : B 119 SER OG : rot 67:sc= 1.26 USER MOD Single : B 121 SER OG : rot 90:sc= -0.0801 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 132 SER OG : rot 35:sc= 0.0161 USER MOD Single : B 139 CYS SG : rot 180:sc= -0.0493 USER MOD Single : B 143 SER OG : rot 180:sc= 0.0644 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 150 MET CE :methyl 180:sc= -0.168 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.362 10.085 18.061 1.00 0.00 N ATOM 2 CA GLY A 1 -18.155 8.753 17.504 1.00 0.00 C ATOM 3 C GLY A 1 -19.030 8.549 16.302 1.00 0.00 C ATOM 4 O GLY A 1 -20.131 9.122 16.224 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.277 10.045 19.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.646 10.736 17.680 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.311 10.425 17.804 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.109 8.626 17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.379 7.998 18.257 1.00 0.00 H new ATOM 10 N VAL A 2 -18.564 7.767 15.346 1.00 0.00 N ATOM 11 CA VAL A 2 -19.327 7.528 14.141 1.00 0.00 C ATOM 12 C VAL A 2 -19.381 6.066 13.780 1.00 0.00 C ATOM 13 O VAL A 2 -18.485 5.279 14.114 1.00 0.00 O ATOM 14 CB VAL A 2 -18.788 8.309 12.894 1.00 0.00 C ATOM 15 CG1 VAL A 2 -18.827 9.798 13.115 1.00 0.00 C ATOM 16 CG2 VAL A 2 -17.372 7.858 12.491 1.00 0.00 C ATOM 0 H VAL A 2 -17.664 7.289 15.382 1.00 0.00 H new ATOM 0 HA VAL A 2 -20.325 7.894 14.382 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.456 8.069 12.067 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -18.446 10.307 12.230 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.854 10.112 13.300 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.209 10.054 13.975 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -17.042 8.428 11.622 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -16.686 8.030 13.320 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.385 6.796 12.245 1.00 0.00 H new ATOM 26 N ARG A 3 -20.427 5.729 13.107 1.00 0.00 N ATOM 27 CA ARG A 3 -20.601 4.468 12.494 1.00 0.00 C ATOM 28 C ARG A 3 -20.627 4.801 11.024 1.00 0.00 C ATOM 29 O ARG A 3 -21.579 5.395 10.518 1.00 0.00 O ATOM 30 CB ARG A 3 -21.898 3.718 12.973 1.00 0.00 C ATOM 31 CG ARG A 3 -23.253 4.376 12.661 1.00 0.00 C ATOM 32 CD ARG A 3 -23.560 5.557 13.567 1.00 0.00 C ATOM 33 NE ARG A 3 -24.539 6.452 12.962 1.00 0.00 N ATOM 34 CZ ARG A 3 -25.030 7.551 13.539 1.00 0.00 C ATOM 35 NH1 ARG A 3 -24.857 7.758 14.845 1.00 0.00 N ATOM 36 NH2 ARG A 3 -25.739 8.421 12.815 1.00 0.00 N ATOM 0 H ARG A 3 -21.218 6.358 12.966 1.00 0.00 H new ATOM 0 HA ARG A 3 -19.809 3.766 12.755 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -21.896 2.723 12.527 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -21.830 3.583 14.052 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -23.259 4.710 11.623 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -24.044 3.633 12.761 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -23.938 5.195 14.523 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -22.642 6.107 13.774 1.00 0.00 H new ATOM 0 HE ARG A 3 -24.874 6.221 12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -24.348 7.075 15.407 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -25.234 8.599 15.282 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -25.904 8.245 11.824 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -26.115 9.262 13.253 1.00 0.00 H new ATOM 50 N LYS A 4 -19.550 4.554 10.367 1.00 0.00 N ATOM 51 CA LYS A 4 -19.424 5.009 9.025 1.00 0.00 C ATOM 52 C LYS A 4 -20.046 4.072 8.025 1.00 0.00 C ATOM 53 O LYS A 4 -19.462 3.063 7.631 1.00 0.00 O ATOM 54 CB LYS A 4 -18.001 5.451 8.697 1.00 0.00 C ATOM 55 CG LYS A 4 -16.886 4.450 8.973 1.00 0.00 C ATOM 56 CD LYS A 4 -15.540 5.081 8.665 1.00 0.00 C ATOM 57 CE LYS A 4 -15.120 6.109 9.695 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.049 6.968 9.165 1.00 0.00 N ATOM 0 H LYS A 4 -18.747 4.043 10.732 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.022 5.916 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.964 5.717 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.789 6.359 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.919 4.133 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.027 3.557 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.782 4.299 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.582 5.554 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.977 6.720 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.776 5.606 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.188 6.840 9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.853 6.709 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.348 7.963 9.209 1.00 0.00 H new ATOM 72 N GLY A 5 -21.255 4.446 7.621 1.00 0.00 N ATOM 73 CA GLY A 5 -22.104 3.661 6.737 1.00 0.00 C ATOM 74 C GLY A 5 -21.510 3.358 5.381 1.00 0.00 C ATOM 75 O GLY A 5 -21.984 2.460 4.673 1.00 0.00 O ATOM 0 H GLY A 5 -21.681 5.327 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.343 2.719 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.044 4.194 6.594 1.00 0.00 H new ATOM 79 N TRP A 6 -20.455 4.053 5.019 1.00 0.00 N ATOM 80 CA TRP A 6 -19.822 3.822 3.746 1.00 0.00 C ATOM 81 C TRP A 6 -19.026 2.512 3.730 1.00 0.00 C ATOM 82 O TRP A 6 -18.490 2.126 2.703 1.00 0.00 O ATOM 83 CB TRP A 6 -18.956 5.001 3.305 1.00 0.00 C ATOM 84 CG TRP A 6 -17.823 5.338 4.212 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.841 6.239 5.217 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.499 4.796 4.176 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.612 6.305 5.806 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.770 5.421 5.186 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.862 3.840 3.383 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.438 5.128 5.430 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.540 3.549 3.628 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.843 4.190 4.642 1.00 0.00 C ATOM 0 H TRP A 6 -20.021 4.780 5.588 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.627 3.726 3.018 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.554 4.784 2.315 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.593 5.880 3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.701 6.822 5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.361 6.915 6.584 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.398 3.338 2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.891 5.626 6.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.037 2.810 3.022 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.806 3.940 4.810 1.00 0.00 H new ATOM 103 N HIS A 7 -18.977 1.826 4.868 1.00 0.00 N ATOM 104 CA HIS A 7 -18.282 0.539 4.981 1.00 0.00 C ATOM 105 C HIS A 7 -18.928 -0.515 4.074 1.00 0.00 C ATOM 106 O HIS A 7 -18.295 -1.478 3.676 1.00 0.00 O ATOM 107 CB HIS A 7 -18.252 0.033 6.451 1.00 0.00 C ATOM 108 CG HIS A 7 -19.587 -0.404 7.034 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.940 -1.717 7.235 1.00 0.00 N ATOM 110 CD2 HIS A 7 -20.634 0.328 7.477 1.00 0.00 C ATOM 111 CE1 HIS A 7 -21.157 -1.747 7.777 1.00 0.00 C ATOM 112 NE2 HIS A 7 -21.626 -0.520 7.948 1.00 0.00 N ATOM 0 H HIS A 7 -19.413 2.140 5.735 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.254 0.698 4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.560 -0.807 6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.846 0.826 7.079 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.690 1.407 7.466 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.689 -2.649 8.041 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -22.528 -0.254 8.343 1.00 0.00 H new ATOM 120 N GLU A 8 -20.185 -0.312 3.756 1.00 0.00 N ATOM 121 CA GLU A 8 -20.909 -1.223 2.895 1.00 0.00 C ATOM 122 C GLU A 8 -20.543 -0.959 1.442 1.00 0.00 C ATOM 123 O GLU A 8 -20.636 -1.835 0.586 1.00 0.00 O ATOM 124 CB GLU A 8 -22.397 -1.029 3.089 1.00 0.00 C ATOM 125 CG GLU A 8 -22.841 -1.175 4.526 1.00 0.00 C ATOM 126 CD GLU A 8 -24.323 -1.048 4.675 1.00 0.00 C ATOM 127 OE1 GLU A 8 -25.035 -2.048 4.446 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.815 0.038 5.012 1.00 0.00 O ATOM 0 H GLU A 8 -20.733 0.483 4.083 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.642 -2.248 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.676 -0.039 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.933 -1.754 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.521 -2.145 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.350 -0.416 5.135 1.00 0.00 H new ATOM 135 N HIS A 9 -20.038 0.231 1.212 1.00 0.00 N ATOM 136 CA HIS A 9 -19.722 0.742 -0.117 1.00 0.00 C ATOM 137 C HIS A 9 -18.290 0.393 -0.484 1.00 0.00 C ATOM 138 O HIS A 9 -17.777 0.804 -1.527 1.00 0.00 O ATOM 139 CB HIS A 9 -19.857 2.271 -0.128 1.00 0.00 C ATOM 140 CG HIS A 9 -21.218 2.820 0.213 1.00 0.00 C ATOM 141 ND1 HIS A 9 -21.928 3.674 -0.590 1.00 0.00 N ATOM 142 CD2 HIS A 9 -21.952 2.692 1.348 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.034 4.038 0.068 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.094 3.466 1.251 1.00 0.00 N ATOM 0 H HIS A 9 -19.827 0.893 1.958 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.411 0.293 -0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.135 2.684 0.576 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.580 2.633 -1.118 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.685 2.080 2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.781 4.714 -0.321 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.829 3.571 1.950 1.00 0.00 H new ATOM 152 N VAL A 10 -17.650 -0.319 0.389 1.00 0.00 N ATOM 153 CA VAL A 10 -16.295 -0.716 0.208 1.00 0.00 C ATOM 154 C VAL A 10 -16.179 -2.194 0.520 1.00 0.00 C ATOM 155 O VAL A 10 -16.607 -2.657 1.576 1.00 0.00 O ATOM 156 CB VAL A 10 -15.336 0.173 1.066 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.685 0.185 2.528 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.874 -0.151 0.837 1.00 0.00 C ATOM 0 H VAL A 10 -18.064 -0.645 1.262 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.987 -0.565 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.493 1.190 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.981 0.820 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.695 0.573 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.632 -0.830 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.256 0.497 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.687 -1.192 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.626 0.009 -0.212 1.00 0.00 H new ATOM 168 N THR A 11 -15.688 -2.933 -0.416 1.00 0.00 N ATOM 169 CA THR A 11 -15.618 -4.351 -0.277 1.00 0.00 C ATOM 170 C THR A 11 -14.325 -4.765 0.406 1.00 0.00 C ATOM 171 O THR A 11 -13.313 -4.050 0.322 1.00 0.00 O ATOM 172 CB THR A 11 -15.630 -4.997 -1.655 1.00 0.00 C ATOM 173 OG1 THR A 11 -16.533 -4.293 -2.496 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.062 -6.443 -1.562 1.00 0.00 C ATOM 0 H THR A 11 -15.324 -2.574 -1.298 1.00 0.00 H new ATOM 0 HA THR A 11 -16.473 -4.671 0.319 1.00 0.00 H new ATOM 0 HB THR A 11 -14.622 -4.957 -2.069 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.253 -4.390 -3.430 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.064 -6.887 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.369 -6.989 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.065 -6.497 -1.139 1.00 0.00 H new ATOM 182 N GLN A 12 -14.355 -5.926 1.056 1.00 0.00 N ATOM 183 CA GLN A 12 -13.170 -6.551 1.625 1.00 0.00 C ATOM 184 C GLN A 12 -12.129 -6.714 0.518 1.00 0.00 C ATOM 185 O GLN A 12 -10.965 -6.424 0.692 1.00 0.00 O ATOM 186 CB GLN A 12 -13.522 -7.935 2.159 1.00 0.00 C ATOM 187 CG GLN A 12 -12.343 -8.681 2.768 1.00 0.00 C ATOM 188 CD GLN A 12 -12.259 -10.142 2.315 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.818 -11.017 3.066 1.00 0.00 O ATOM 190 NE2 GLN A 12 -12.637 -10.420 1.077 1.00 0.00 N ATOM 0 H GLN A 12 -15.211 -6.461 1.202 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.785 -5.932 2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.304 -7.835 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.936 -8.532 1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.419 -8.170 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.421 -8.647 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.998 -9.680 0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.567 -11.375 0.725 1.00 0.00 H new ATOM 199 N ASP A 13 -12.599 -7.147 -0.627 1.00 0.00 N ATOM 200 CA ASP A 13 -11.775 -7.365 -1.808 1.00 0.00 C ATOM 201 C ASP A 13 -11.129 -6.070 -2.285 1.00 0.00 C ATOM 202 O ASP A 13 -9.997 -6.079 -2.737 1.00 0.00 O ATOM 203 CB ASP A 13 -12.623 -7.972 -2.931 1.00 0.00 C ATOM 204 CG ASP A 13 -13.195 -9.318 -2.568 1.00 0.00 C ATOM 205 OD1 ASP A 13 -14.072 -9.378 -1.662 1.00 0.00 O ATOM 206 OD2 ASP A 13 -12.799 -10.340 -3.180 1.00 0.00 O ATOM 0 H ASP A 13 -13.585 -7.364 -0.774 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.977 -8.057 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.438 -7.290 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.012 -8.072 -3.828 1.00 0.00 H new ATOM 211 N LEU A 14 -11.822 -4.945 -2.099 1.00 0.00 N ATOM 212 CA LEU A 14 -11.318 -3.658 -2.571 1.00 0.00 C ATOM 213 C LEU A 14 -10.194 -3.256 -1.667 1.00 0.00 C ATOM 214 O LEU A 14 -9.082 -3.001 -2.106 1.00 0.00 O ATOM 215 CB LEU A 14 -12.463 -2.596 -2.566 1.00 0.00 C ATOM 216 CG LEU A 14 -12.171 -1.157 -3.104 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.373 -0.338 -2.125 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.435 -1.196 -4.425 1.00 0.00 C ATOM 0 H LEU A 14 -12.726 -4.900 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.957 -3.732 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.290 -3.002 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.814 -2.497 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.144 -0.686 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.194 0.654 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.928 -0.245 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.419 -0.829 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.249 -0.178 -4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.485 -1.715 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.040 -1.723 -5.163 1.00 0.00 H new ATOM 230 N ARG A 15 -10.484 -3.278 -0.399 1.00 0.00 N ATOM 231 CA ARG A 15 -9.539 -2.886 0.593 1.00 0.00 C ATOM 232 C ARG A 15 -8.323 -3.787 0.635 1.00 0.00 C ATOM 233 O ARG A 15 -7.200 -3.310 0.695 1.00 0.00 O ATOM 234 CB ARG A 15 -10.201 -2.749 1.938 1.00 0.00 C ATOM 235 CG ARG A 15 -10.981 -3.911 2.426 1.00 0.00 C ATOM 236 CD ARG A 15 -11.865 -3.470 3.544 1.00 0.00 C ATOM 237 NE ARG A 15 -11.089 -2.731 4.574 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.352 -2.656 5.883 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.456 -3.211 6.393 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.502 -1.996 6.672 1.00 0.00 N ATOM 0 H ARG A 15 -11.388 -3.570 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.161 -1.904 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.429 -2.526 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.866 -1.886 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.579 -4.329 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.309 -4.699 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.660 -2.833 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.345 -4.337 3.997 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.266 -2.226 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.110 -3.699 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.644 -3.146 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.670 -1.560 6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.684 -1.927 7.673 1.00 0.00 H new ATOM 254 N SER A 16 -8.546 -5.080 0.542 1.00 0.00 N ATOM 255 CA SER A 16 -7.475 -6.039 0.557 1.00 0.00 C ATOM 256 C SER A 16 -6.598 -5.874 -0.689 1.00 0.00 C ATOM 257 O SER A 16 -5.381 -6.054 -0.626 1.00 0.00 O ATOM 258 CB SER A 16 -8.043 -7.459 0.657 1.00 0.00 C ATOM 259 OG SER A 16 -7.021 -8.439 0.762 1.00 0.00 O ATOM 0 H SER A 16 -9.476 -5.491 0.454 1.00 0.00 H new ATOM 0 HA SER A 16 -6.848 -5.864 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.699 -7.526 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.654 -7.667 -0.221 1.00 0.00 H new ATOM 0 HG SER A 16 -7.426 -9.329 0.825 1.00 0.00 H new ATOM 265 N HIS A 17 -7.216 -5.493 -1.807 1.00 0.00 N ATOM 266 CA HIS A 17 -6.489 -5.266 -3.049 1.00 0.00 C ATOM 267 C HIS A 17 -5.528 -4.094 -2.865 1.00 0.00 C ATOM 268 O HIS A 17 -4.359 -4.144 -3.282 1.00 0.00 O ATOM 269 CB HIS A 17 -7.470 -4.952 -4.190 1.00 0.00 C ATOM 270 CG HIS A 17 -6.842 -4.913 -5.548 1.00 0.00 C ATOM 271 ND1 HIS A 17 -6.806 -5.977 -6.414 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.212 -3.904 -6.176 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.164 -5.598 -7.512 1.00 0.00 C ATOM 274 NE2 HIS A 17 -5.776 -4.339 -7.421 1.00 0.00 N ATOM 0 H HIS A 17 -8.222 -5.336 -1.875 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.929 -6.166 -3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.261 -5.702 -4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.942 -3.990 -3.993 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.204 -6.900 -6.243 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.068 -2.912 -5.775 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.983 -6.234 -8.366 1.00 0.00 H new ATOM 282 N LEU A 18 -6.032 -3.056 -2.248 1.00 0.00 N ATOM 283 CA LEU A 18 -5.262 -1.863 -1.958 1.00 0.00 C ATOM 284 C LEU A 18 -4.140 -2.185 -0.977 1.00 0.00 C ATOM 285 O LEU A 18 -3.031 -1.720 -1.140 1.00 0.00 O ATOM 286 CB LEU A 18 -6.190 -0.741 -1.454 1.00 0.00 C ATOM 287 CG LEU A 18 -6.961 0.083 -2.531 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.545 -0.768 -3.639 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.094 0.804 -1.897 1.00 0.00 C ATOM 0 H LEU A 18 -6.999 -3.010 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.790 -1.500 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.922 -1.185 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.592 -0.048 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.226 0.762 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.067 -0.129 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.743 -1.302 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.246 -1.487 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.629 1.378 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.773 0.084 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.713 1.480 -1.132 1.00 0.00 H new ATOM 301 N VAL A 19 -4.441 -3.030 0.001 1.00 0.00 N ATOM 302 CA VAL A 19 -3.449 -3.546 0.968 1.00 0.00 C ATOM 303 C VAL A 19 -2.317 -4.274 0.223 1.00 0.00 C ATOM 304 O VAL A 19 -1.135 -4.008 0.448 1.00 0.00 O ATOM 305 CB VAL A 19 -4.125 -4.556 1.953 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.134 -5.253 2.808 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.105 -3.875 2.839 1.00 0.00 C ATOM 0 H VAL A 19 -5.384 -3.386 0.156 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.046 -2.701 1.526 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.634 -5.288 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.650 -5.943 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.438 -5.808 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.584 -4.520 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.557 -4.605 3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.596 -3.109 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.882 -3.411 2.232 1.00 0.00 H new ATOM 317 N HIS A 20 -2.712 -5.188 -0.645 1.00 0.00 N ATOM 318 CA HIS A 20 -1.808 -5.960 -1.494 1.00 0.00 C ATOM 319 C HIS A 20 -0.857 -5.026 -2.256 1.00 0.00 C ATOM 320 O HIS A 20 0.363 -5.224 -2.272 1.00 0.00 O ATOM 321 CB HIS A 20 -2.676 -6.807 -2.456 1.00 0.00 C ATOM 322 CG HIS A 20 -1.969 -7.453 -3.607 1.00 0.00 C ATOM 323 ND1 HIS A 20 -2.214 -7.114 -4.917 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.049 -8.442 -3.638 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.460 -7.880 -5.694 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.723 -8.716 -4.970 1.00 0.00 N ATOM 0 H HIS A 20 -3.694 -5.424 -0.786 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.181 -6.620 -0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.164 -7.589 -1.874 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.463 -6.168 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.633 -8.940 -2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.447 -7.831 -6.773 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.060 -9.411 -5.313 1.00 0.00 H new ATOM 334 N LYS A 21 -1.424 -4.001 -2.838 1.00 0.00 N ATOM 335 CA LYS A 21 -0.670 -3.019 -3.572 1.00 0.00 C ATOM 336 C LYS A 21 0.208 -2.177 -2.680 1.00 0.00 C ATOM 337 O LYS A 21 1.359 -1.884 -3.042 1.00 0.00 O ATOM 338 CB LYS A 21 -1.591 -2.179 -4.406 1.00 0.00 C ATOM 339 CG LYS A 21 -1.918 -2.834 -5.709 1.00 0.00 C ATOM 340 CD LYS A 21 -2.976 -2.090 -6.458 1.00 0.00 C ATOM 341 CE LYS A 21 -2.963 -2.482 -7.918 1.00 0.00 C ATOM 342 NZ LYS A 21 -1.654 -2.142 -8.535 1.00 0.00 N ATOM 0 H LYS A 21 -2.428 -3.823 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 21 0.009 -3.552 -4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.511 -1.992 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.129 -1.210 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.017 -2.897 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.252 -3.856 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.954 -2.303 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.812 -1.017 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.151 -3.551 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.766 -1.967 -8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.735 -2.192 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.378 -1.179 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.932 -2.817 -8.211 1.00 0.00 H new ATOM 356 N LEU A 22 -0.328 -1.790 -1.528 1.00 0.00 N ATOM 357 CA LEU A 22 0.423 -1.062 -0.520 1.00 0.00 C ATOM 358 C LEU A 22 1.705 -1.784 -0.223 1.00 0.00 C ATOM 359 O LEU A 22 2.772 -1.183 -0.293 1.00 0.00 O ATOM 360 CB LEU A 22 -0.397 -0.891 0.761 1.00 0.00 C ATOM 361 CG LEU A 22 -1.441 0.220 0.764 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.375 0.064 1.952 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.743 1.523 0.912 1.00 0.00 C ATOM 0 H LEU A 22 -1.297 -1.974 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 22 0.650 -0.069 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.903 -1.834 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.293 -0.711 1.585 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.011 0.172 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.115 0.864 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.882 -0.899 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.800 0.115 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.476 2.330 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.187 1.533 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.054 1.663 0.079 1.00 0.00 H new ATOM 375 N VAL A 23 1.586 -3.085 0.044 1.00 0.00 N ATOM 376 CA VAL A 23 2.728 -3.966 0.267 1.00 0.00 C ATOM 377 C VAL A 23 3.695 -3.867 -0.886 1.00 0.00 C ATOM 378 O VAL A 23 4.821 -3.584 -0.675 1.00 0.00 O ATOM 379 CB VAL A 23 2.288 -5.447 0.396 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.476 -6.390 0.334 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.546 -5.669 1.676 1.00 0.00 C ATOM 0 H VAL A 23 0.685 -3.559 0.112 1.00 0.00 H new ATOM 0 HA VAL A 23 3.201 -3.648 1.196 1.00 0.00 H new ATOM 0 HB VAL A 23 1.631 -5.661 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.129 -7.419 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.990 -6.266 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.163 -6.163 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.246 -6.715 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.191 -5.419 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.659 -5.035 1.697 1.00 0.00 H new ATOM 391 N GLN A 24 3.209 -4.068 -2.102 1.00 0.00 N ATOM 392 CA GLN A 24 4.063 -4.061 -3.303 1.00 0.00 C ATOM 393 C GLN A 24 4.950 -2.818 -3.396 1.00 0.00 C ATOM 394 O GLN A 24 6.093 -2.894 -3.835 1.00 0.00 O ATOM 395 CB GLN A 24 3.223 -4.153 -4.558 1.00 0.00 C ATOM 396 CG GLN A 24 2.453 -5.432 -4.693 1.00 0.00 C ATOM 397 CD GLN A 24 1.629 -5.455 -5.947 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.132 -4.421 -6.426 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.496 -6.604 -6.504 1.00 0.00 N ATOM 0 H GLN A 24 2.222 -4.240 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 24 4.711 -4.933 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.523 -3.318 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.873 -4.041 -5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.145 -6.274 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.802 -5.558 -3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.919 -7.429 -6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.967 -6.692 -7.372 1.00 0.00 H new ATOM 408 N ALA A 25 4.405 -1.680 -3.030 1.00 0.00 N ATOM 409 CA ALA A 25 5.158 -0.453 -3.058 1.00 0.00 C ATOM 410 C ALA A 25 6.038 -0.278 -1.830 1.00 0.00 C ATOM 411 O ALA A 25 7.197 0.057 -1.944 1.00 0.00 O ATOM 412 CB ALA A 25 4.223 0.684 -3.136 1.00 0.00 C ATOM 0 H ALA A 25 3.442 -1.582 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 25 5.810 -0.492 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.786 1.617 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.624 0.601 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.567 0.676 -2.265 1.00 0.00 H new ATOM 418 N ILE A 26 5.483 -0.520 -0.659 1.00 0.00 N ATOM 419 CA ILE A 26 6.204 -0.271 0.591 1.00 0.00 C ATOM 420 C ILE A 26 7.252 -1.361 0.806 1.00 0.00 C ATOM 421 O ILE A 26 8.258 -1.169 1.484 1.00 0.00 O ATOM 422 CB ILE A 26 5.194 -0.160 1.799 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.831 0.453 3.079 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.564 -1.511 2.107 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.545 -0.530 3.988 1.00 0.00 C ATOM 0 H ILE A 26 4.539 -0.887 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 26 6.727 0.683 0.529 1.00 0.00 H new ATOM 0 HB ILE A 26 4.414 0.532 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.541 1.224 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.047 0.948 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.872 -1.408 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.023 -1.869 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.345 -2.225 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.952 0.000 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.840 -1.289 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.357 -1.009 3.440 1.00 0.00 H new ATOM 437 N PHE A 27 7.007 -2.468 0.201 1.00 0.00 N ATOM 438 CA PHE A 27 7.843 -3.600 0.242 1.00 0.00 C ATOM 439 C PHE A 27 7.968 -4.202 -1.141 1.00 0.00 C ATOM 440 O PHE A 27 7.138 -5.038 -1.523 1.00 0.00 O ATOM 441 CB PHE A 27 7.284 -4.656 1.195 1.00 0.00 C ATOM 442 CG PHE A 27 7.422 -4.350 2.660 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.670 -4.284 3.248 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.303 -4.157 3.455 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.804 -4.027 4.595 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.430 -3.896 4.807 1.00 0.00 C ATOM 447 CZ PHE A 27 7.683 -3.831 5.378 1.00 0.00 C ATOM 0 H PHE A 27 6.170 -2.609 -0.365 1.00 0.00 H new ATOM 0 HA PHE A 27 8.823 -3.282 0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.227 -4.799 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.784 -5.603 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.552 -4.436 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.319 -4.211 3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.787 -3.979 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.550 -3.743 5.414 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.788 -3.628 6.433 1.00 0.00 H new ATOM 457 N PRO A 28 8.941 -3.737 -1.957 1.00 0.00 N ATOM 458 CA PRO A 28 9.199 -4.339 -3.252 1.00 0.00 C ATOM 459 C PRO A 28 9.467 -5.830 -3.074 1.00 0.00 C ATOM 460 O PRO A 28 10.426 -6.236 -2.414 1.00 0.00 O ATOM 461 CB PRO A 28 10.450 -3.605 -3.776 1.00 0.00 C ATOM 462 CG PRO A 28 10.985 -2.847 -2.607 1.00 0.00 C ATOM 463 CD PRO A 28 9.816 -2.586 -1.707 1.00 0.00 C ATOM 0 HA PRO A 28 8.362 -4.249 -3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.188 -4.310 -4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.197 -2.934 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.754 -3.421 -2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.446 -1.913 -2.927 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.117 -2.528 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.323 -1.645 -1.949 1.00 0.00 H new ATOM 471 N THR A 29 8.580 -6.630 -3.579 1.00 0.00 N ATOM 472 CA THR A 29 8.686 -8.035 -3.406 1.00 0.00 C ATOM 473 C THR A 29 9.752 -8.623 -4.354 1.00 0.00 C ATOM 474 O THR A 29 9.855 -8.214 -5.523 1.00 0.00 O ATOM 475 CB THR A 29 7.305 -8.731 -3.580 1.00 0.00 C ATOM 476 OG1 THR A 29 7.385 -10.100 -3.190 1.00 0.00 O ATOM 477 CG2 THR A 29 6.800 -8.641 -5.016 1.00 0.00 C ATOM 0 H THR A 29 7.770 -6.325 -4.118 1.00 0.00 H new ATOM 0 HA THR A 29 9.013 -8.229 -2.384 1.00 0.00 H new ATOM 0 HB THR A 29 6.598 -8.207 -2.937 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.541 -10.657 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.834 -9.139 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.692 -7.594 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.513 -9.126 -5.683 1.00 0.00 H new ATOM 485 N PRO A 30 10.589 -9.548 -3.849 1.00 0.00 N ATOM 486 CA PRO A 30 11.637 -10.200 -4.649 1.00 0.00 C ATOM 487 C PRO A 30 11.051 -11.222 -5.632 1.00 0.00 C ATOM 488 O PRO A 30 11.628 -11.503 -6.690 1.00 0.00 O ATOM 489 CB PRO A 30 12.485 -10.914 -3.585 1.00 0.00 C ATOM 490 CG PRO A 30 11.522 -11.197 -2.481 1.00 0.00 C ATOM 491 CD PRO A 30 10.599 -10.013 -2.441 1.00 0.00 C ATOM 0 HA PRO A 30 12.195 -9.493 -5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.924 -11.832 -3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.308 -10.286 -3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.971 -12.118 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.040 -11.323 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.601 -10.291 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.963 -9.240 -1.764 1.00 0.00 H new ATOM 499 N ASP A 31 9.891 -11.744 -5.285 1.00 0.00 N ATOM 500 CA ASP A 31 9.220 -12.763 -6.066 1.00 0.00 C ATOM 501 C ASP A 31 7.751 -12.619 -5.818 1.00 0.00 C ATOM 502 O ASP A 31 7.359 -12.265 -4.710 1.00 0.00 O ATOM 503 CB ASP A 31 9.628 -14.150 -5.569 1.00 0.00 C ATOM 504 CG ASP A 31 9.236 -15.284 -6.494 1.00 0.00 C ATOM 505 OD1 ASP A 31 8.064 -15.657 -6.532 1.00 0.00 O ATOM 506 OD2 ASP A 31 10.117 -15.842 -7.168 1.00 0.00 O ATOM 0 H ASP A 31 9.383 -11.469 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 31 9.477 -12.653 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.709 -14.169 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.176 -14.321 -4.592 1.00 0.00 H new ATOM 511 N PRO A 32 6.910 -12.849 -6.801 1.00 0.00 N ATOM 512 CA PRO A 32 5.469 -12.830 -6.606 1.00 0.00 C ATOM 513 C PRO A 32 4.981 -13.877 -5.576 1.00 0.00 C ATOM 514 O PRO A 32 3.923 -13.723 -4.976 1.00 0.00 O ATOM 515 CB PRO A 32 4.906 -13.154 -7.968 1.00 0.00 C ATOM 516 CG PRO A 32 6.044 -13.717 -8.750 1.00 0.00 C ATOM 517 CD PRO A 32 7.269 -13.089 -8.206 1.00 0.00 C ATOM 0 HA PRO A 32 5.147 -11.867 -6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.089 -13.872 -7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.504 -12.262 -8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.086 -14.802 -8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.933 -13.498 -9.812 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.135 -13.745 -8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.515 -12.163 -8.725 1.00 0.00 H new ATOM 525 N ALA A 33 5.750 -14.923 -5.352 1.00 0.00 N ATOM 526 CA ALA A 33 5.366 -15.923 -4.375 1.00 0.00 C ATOM 527 C ALA A 33 5.772 -15.501 -2.971 1.00 0.00 C ATOM 528 O ALA A 33 5.461 -16.177 -1.990 1.00 0.00 O ATOM 529 CB ALA A 33 5.912 -17.294 -4.725 1.00 0.00 C ATOM 0 H ALA A 33 6.635 -15.103 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 33 4.279 -16.000 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.601 -18.014 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.527 -17.602 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.001 -17.254 -4.762 1.00 0.00 H new ATOM 535 N ALA A 34 6.447 -14.367 -2.863 1.00 0.00 N ATOM 536 CA ALA A 34 6.752 -13.810 -1.564 1.00 0.00 C ATOM 537 C ALA A 34 5.518 -13.083 -1.045 1.00 0.00 C ATOM 538 O ALA A 34 5.417 -12.741 0.127 1.00 0.00 O ATOM 539 CB ALA A 34 7.957 -12.886 -1.623 1.00 0.00 C ATOM 0 H ALA A 34 6.789 -13.822 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 34 7.014 -14.615 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.157 -12.486 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.826 -13.444 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.753 -12.065 -2.311 1.00 0.00 H new ATOM 545 N LEU A 35 4.546 -12.935 -1.937 1.00 0.00 N ATOM 546 CA LEU A 35 3.300 -12.260 -1.651 1.00 0.00 C ATOM 547 C LEU A 35 2.271 -13.244 -1.086 1.00 0.00 C ATOM 548 O LEU A 35 1.086 -12.949 -1.003 1.00 0.00 O ATOM 549 CB LEU A 35 2.755 -11.649 -2.921 1.00 0.00 C ATOM 550 CG LEU A 35 3.717 -10.758 -3.694 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.208 -10.515 -5.089 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.912 -9.451 -2.979 1.00 0.00 C ATOM 0 H LEU A 35 4.609 -13.288 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 35 3.488 -11.482 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.428 -12.455 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.870 -11.064 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 35 4.678 -11.268 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.909 -9.876 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.111 -11.467 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.235 -10.026 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.603 -8.826 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.953 -8.941 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.322 -9.637 -1.986 1.00 0.00 H new ATOM 564 N LYS A 36 2.698 -14.440 -0.831 1.00 0.00 N ATOM 565 CA LYS A 36 1.850 -15.428 -0.169 1.00 0.00 C ATOM 566 C LYS A 36 2.663 -16.150 0.898 1.00 0.00 C ATOM 567 O LYS A 36 2.246 -17.154 1.461 1.00 0.00 O ATOM 568 CB LYS A 36 1.286 -16.402 -1.200 1.00 0.00 C ATOM 569 CG LYS A 36 2.373 -16.983 -2.064 1.00 0.00 C ATOM 570 CD LYS A 36 1.845 -17.860 -3.205 1.00 0.00 C ATOM 571 CE LYS A 36 0.988 -17.075 -4.189 1.00 0.00 C ATOM 572 NZ LYS A 36 0.561 -17.902 -5.334 1.00 0.00 N ATOM 0 H LYS A 36 3.632 -14.775 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 36 1.007 -14.935 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.756 -17.207 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.557 -15.888 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.965 -16.170 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.043 -17.576 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.686 -18.307 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.258 -18.679 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.109 -16.687 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.550 -16.215 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.020 -17.329 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.399 -18.252 -5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.003 -18.709 -4.990 1.00 0.00 H new ATOM 586 N ASP A 37 3.804 -15.595 1.170 1.00 0.00 N ATOM 587 CA ASP A 37 4.829 -16.216 1.997 1.00 0.00 C ATOM 588 C ASP A 37 4.664 -15.806 3.452 1.00 0.00 C ATOM 589 O ASP A 37 3.765 -15.043 3.786 1.00 0.00 O ATOM 590 CB ASP A 37 6.152 -15.699 1.480 1.00 0.00 C ATOM 591 CG ASP A 37 7.354 -16.371 2.012 1.00 0.00 C ATOM 592 OD1 ASP A 37 7.640 -17.501 1.612 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.013 -15.786 2.858 1.00 0.00 O ATOM 0 H ASP A 37 4.069 -14.674 0.821 1.00 0.00 H new ATOM 0 HA ASP A 37 4.763 -17.303 1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.158 -15.791 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.221 -14.636 1.710 1.00 0.00 H new ATOM 598 N ARG A 38 5.530 -16.295 4.309 1.00 0.00 N ATOM 599 CA ARG A 38 5.524 -15.901 5.690 1.00 0.00 C ATOM 600 C ARG A 38 6.028 -14.467 5.840 1.00 0.00 C ATOM 601 O ARG A 38 5.658 -13.766 6.762 1.00 0.00 O ATOM 602 CB ARG A 38 6.285 -16.883 6.578 1.00 0.00 C ATOM 603 CG ARG A 38 7.824 -16.826 6.579 1.00 0.00 C ATOM 604 CD ARG A 38 8.440 -17.358 5.306 1.00 0.00 C ATOM 605 NE ARG A 38 9.904 -17.472 5.404 1.00 0.00 N ATOM 606 CZ ARG A 38 10.747 -17.576 4.368 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.326 -17.335 3.124 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.031 -17.858 4.593 1.00 0.00 N ATOM 0 H ARG A 38 6.253 -16.973 4.066 1.00 0.00 H new ATOM 0 HA ARG A 38 4.492 -15.928 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.946 -16.735 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.990 -17.891 6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.143 -15.794 6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.202 -17.400 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.015 -18.336 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.183 -16.699 4.477 1.00 0.00 H new ATOM 0 HE ARG A 38 10.311 -17.472 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.356 -17.069 2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.975 -17.417 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.364 -17.993 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.680 -17.939 3.810 1.00 0.00 H new ATOM 622 N ARG A 39 6.867 -14.025 4.898 1.00 0.00 N ATOM 623 CA ARG A 39 7.313 -12.642 4.886 1.00 0.00 C ATOM 624 C ARG A 39 6.105 -11.740 4.591 1.00 0.00 C ATOM 625 O ARG A 39 6.002 -10.613 5.114 1.00 0.00 O ATOM 626 CB ARG A 39 8.403 -12.436 3.825 1.00 0.00 C ATOM 627 CG ARG A 39 9.063 -11.043 3.861 1.00 0.00 C ATOM 628 CD ARG A 39 10.138 -10.879 4.971 1.00 0.00 C ATOM 629 NE ARG A 39 9.692 -11.268 6.325 1.00 0.00 N ATOM 630 CZ ARG A 39 9.831 -10.534 7.452 1.00 0.00 C ATOM 631 NH1 ARG A 39 10.301 -9.288 7.410 1.00 0.00 N ATOM 632 NH2 ARG A 39 9.496 -11.065 8.625 1.00 0.00 N ATOM 0 H ARG A 39 7.243 -14.602 4.146 1.00 0.00 H new ATOM 0 HA ARG A 39 7.738 -12.386 5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.174 -13.195 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.969 -12.595 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.523 -10.846 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.289 -10.290 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.010 -11.477 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.460 -9.838 4.995 1.00 0.00 H new ATOM 0 HE ARG A 39 9.236 -12.176 6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.563 -8.872 6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.398 -8.750 8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.137 -12.019 8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.598 -10.518 9.480 1.00 0.00 H new ATOM 646 N MET A 40 5.139 -12.293 3.820 1.00 0.00 N ATOM 647 CA MET A 40 3.954 -11.592 3.428 1.00 0.00 C ATOM 648 C MET A 40 3.166 -11.165 4.622 1.00 0.00 C ATOM 649 O MET A 40 2.729 -10.055 4.648 1.00 0.00 O ATOM 650 CB MET A 40 3.054 -12.436 2.487 1.00 0.00 C ATOM 651 CG MET A 40 1.673 -11.820 2.191 1.00 0.00 C ATOM 652 SD MET A 40 1.608 -10.680 0.771 1.00 0.00 S ATOM 653 CE MET A 40 3.166 -9.868 0.835 1.00 0.00 C ATOM 0 H MET A 40 5.187 -13.248 3.464 1.00 0.00 H new ATOM 0 HA MET A 40 4.284 -10.711 2.877 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.579 -12.587 1.544 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.909 -13.420 2.932 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.964 -12.629 2.017 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.335 -11.286 3.079 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.295 -9.258 -0.059 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.208 -9.231 1.718 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.962 -10.611 0.885 1.00 0.00 H new ATOM 663 N GLU A 41 3.057 -12.024 5.643 1.00 0.00 N ATOM 664 CA GLU A 41 2.207 -11.709 6.793 1.00 0.00 C ATOM 665 C GLU A 41 2.683 -10.446 7.513 1.00 0.00 C ATOM 666 O GLU A 41 1.883 -9.686 8.020 1.00 0.00 O ATOM 667 CB GLU A 41 2.063 -12.894 7.753 1.00 0.00 C ATOM 668 CG GLU A 41 3.268 -13.188 8.594 1.00 0.00 C ATOM 669 CD GLU A 41 3.147 -14.508 9.304 1.00 0.00 C ATOM 670 OE1 GLU A 41 3.356 -15.561 8.681 1.00 0.00 O ATOM 671 OE2 GLU A 41 2.817 -14.519 10.507 1.00 0.00 O ATOM 0 H GLU A 41 3.536 -12.923 5.696 1.00 0.00 H new ATOM 0 HA GLU A 41 1.210 -11.505 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.217 -12.704 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.820 -13.784 7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.158 -13.195 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.402 -12.392 9.327 1.00 0.00 H new ATOM 678 N ASN A 42 3.984 -10.207 7.497 1.00 0.00 N ATOM 679 CA ASN A 42 4.560 -8.997 8.086 1.00 0.00 C ATOM 680 C ASN A 42 4.313 -7.792 7.184 1.00 0.00 C ATOM 681 O ASN A 42 3.925 -6.686 7.653 1.00 0.00 O ATOM 682 CB ASN A 42 6.072 -9.186 8.336 1.00 0.00 C ATOM 683 CG ASN A 42 6.804 -7.881 8.645 1.00 0.00 C ATOM 684 OD1 ASN A 42 6.843 -7.421 9.782 1.00 0.00 O ATOM 685 ND2 ASN A 42 7.418 -7.302 7.634 1.00 0.00 N ATOM 0 H ASN A 42 4.670 -10.837 7.081 1.00 0.00 H new ATOM 0 HA ASN A 42 4.072 -8.814 9.043 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.212 -9.878 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.523 -9.648 7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.947 -6.443 7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.364 -7.713 6.702 1.00 0.00 H new ATOM 692 N LEU A 43 4.508 -8.003 5.894 1.00 0.00 N ATOM 693 CA LEU A 43 4.338 -6.940 4.910 1.00 0.00 C ATOM 694 C LEU A 43 2.869 -6.495 4.894 1.00 0.00 C ATOM 695 O LEU A 43 2.555 -5.298 4.981 1.00 0.00 O ATOM 696 CB LEU A 43 4.761 -7.424 3.515 1.00 0.00 C ATOM 697 CG LEU A 43 6.087 -8.215 3.398 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.410 -8.526 1.949 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.251 -7.502 4.062 1.00 0.00 C ATOM 0 H LEU A 43 4.785 -8.902 5.500 1.00 0.00 H new ATOM 0 HA LEU A 43 4.971 -6.096 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.961 -8.051 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.832 -6.552 2.865 1.00 0.00 H new ATOM 0 HG LEU A 43 5.938 -9.153 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.346 -9.082 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.608 -9.125 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.509 -7.595 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.155 -8.100 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.398 -6.530 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.036 -7.363 5.122 1.00 0.00 H new ATOM 711 N VAL A 44 1.974 -7.475 4.847 1.00 0.00 N ATOM 712 CA VAL A 44 0.554 -7.222 4.854 1.00 0.00 C ATOM 713 C VAL A 44 0.104 -6.700 6.191 1.00 0.00 C ATOM 714 O VAL A 44 -0.812 -5.942 6.242 1.00 0.00 O ATOM 715 CB VAL A 44 -0.329 -8.434 4.406 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.083 -8.799 2.979 1.00 0.00 C ATOM 717 CG2 VAL A 44 -0.183 -9.633 5.311 1.00 0.00 C ATOM 0 H VAL A 44 2.221 -8.464 4.803 1.00 0.00 H new ATOM 0 HA VAL A 44 0.400 -6.456 4.094 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.364 -8.103 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.714 -9.644 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.319 -7.948 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.964 -9.071 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.819 -10.441 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.856 -9.963 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.480 -9.362 6.324 1.00 0.00 H new ATOM 727 N ALA A 45 0.776 -7.105 7.270 1.00 0.00 N ATOM 728 CA ALA A 45 0.476 -6.586 8.611 1.00 0.00 C ATOM 729 C ALA A 45 0.565 -5.059 8.601 1.00 0.00 C ATOM 730 O ALA A 45 -0.379 -4.376 9.014 1.00 0.00 O ATOM 731 CB ALA A 45 1.421 -7.180 9.656 1.00 0.00 C ATOM 0 H ALA A 45 1.531 -7.790 7.244 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.537 -6.881 8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.176 -6.778 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.312 -8.264 9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.450 -6.922 9.405 1.00 0.00 H new ATOM 737 N TYR A 46 1.680 -4.527 8.074 1.00 0.00 N ATOM 738 CA TYR A 46 1.816 -3.057 7.896 1.00 0.00 C ATOM 739 C TYR A 46 0.716 -2.527 6.982 1.00 0.00 C ATOM 740 O TYR A 46 0.075 -1.536 7.290 1.00 0.00 O ATOM 741 CB TYR A 46 3.218 -2.665 7.308 1.00 0.00 C ATOM 742 CG TYR A 46 3.259 -1.273 6.617 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.861 -1.130 5.282 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.648 -0.122 7.289 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.849 0.092 4.653 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.633 1.119 6.645 1.00 0.00 C ATOM 747 CZ TYR A 46 3.233 1.210 5.332 1.00 0.00 C ATOM 748 OH TYR A 46 3.204 2.437 4.696 1.00 0.00 O ATOM 0 H TYR A 46 2.487 -5.070 7.768 1.00 0.00 H new ATOM 0 HA TYR A 46 1.723 -2.605 8.883 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.953 -2.679 8.113 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.521 -3.424 6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.554 -2.006 4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.965 -0.186 8.319 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.536 0.166 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.936 2.007 7.179 1.00 0.00 H new ATOM 0 HH TYR A 46 3.506 3.134 5.315 1.00 0.00 H new ATOM 758 N ALA A 47 0.519 -3.170 5.862 1.00 0.00 N ATOM 759 CA ALA A 47 -0.430 -2.679 4.891 1.00 0.00 C ATOM 760 C ALA A 47 -1.849 -2.634 5.448 1.00 0.00 C ATOM 761 O ALA A 47 -2.567 -1.691 5.214 1.00 0.00 O ATOM 762 CB ALA A 47 -0.343 -3.470 3.621 1.00 0.00 C ATOM 0 H ALA A 47 0.999 -4.031 5.598 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.165 -1.648 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.066 -3.085 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.662 -3.384 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.561 -4.517 3.829 1.00 0.00 H new ATOM 768 N LYS A 48 -2.204 -3.629 6.236 1.00 0.00 N ATOM 769 CA LYS A 48 -3.510 -3.706 6.880 1.00 0.00 C ATOM 770 C LYS A 48 -3.663 -2.607 7.912 1.00 0.00 C ATOM 771 O LYS A 48 -4.692 -1.937 7.968 1.00 0.00 O ATOM 772 CB LYS A 48 -3.669 -5.047 7.580 1.00 0.00 C ATOM 773 CG LYS A 48 -3.739 -6.254 6.656 1.00 0.00 C ATOM 774 CD LYS A 48 -3.617 -7.530 7.460 1.00 0.00 C ATOM 775 CE LYS A 48 -3.787 -8.771 6.605 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.160 -8.913 6.068 1.00 0.00 N ATOM 0 H LYS A 48 -1.592 -4.416 6.452 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.271 -3.592 6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.833 -5.182 8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.576 -5.019 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.681 -6.249 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.940 -6.203 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.642 -7.558 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.367 -7.531 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.079 -8.736 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.540 -9.652 7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.269 -9.853 5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.848 -8.805 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.329 -8.181 5.349 1.00 0.00 H new ATOM 790 N LYS A 49 -2.636 -2.422 8.731 1.00 0.00 N ATOM 791 CA LYS A 49 -2.679 -1.426 9.795 1.00 0.00 C ATOM 792 C LYS A 49 -2.793 -0.015 9.195 1.00 0.00 C ATOM 793 O LYS A 49 -3.546 0.833 9.681 1.00 0.00 O ATOM 794 CB LYS A 49 -1.448 -1.570 10.734 1.00 0.00 C ATOM 795 CG LYS A 49 -0.132 -1.190 10.177 1.00 0.00 C ATOM 796 CD LYS A 49 0.966 -1.430 11.188 1.00 0.00 C ATOM 797 CE LYS A 49 2.201 -0.615 10.879 1.00 0.00 C ATOM 798 NZ LYS A 49 1.948 0.833 11.065 1.00 0.00 N ATOM 0 H LYS A 49 -1.763 -2.948 8.680 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.565 -1.594 10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.627 -0.965 11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.391 -2.608 11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.066 -1.767 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.144 -0.139 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.604 -1.178 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.223 -2.489 11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.019 -0.930 11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.516 -0.803 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.849 1.324 11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.497 1.219 10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.320 0.974 11.882 1.00 0.00 H new ATOM 812 N VAL A 50 -2.099 0.185 8.098 1.00 0.00 N ATOM 813 CA VAL A 50 -2.101 1.439 7.395 1.00 0.00 C ATOM 814 C VAL A 50 -3.425 1.649 6.662 1.00 0.00 C ATOM 815 O VAL A 50 -4.016 2.722 6.739 1.00 0.00 O ATOM 816 CB VAL A 50 -0.879 1.521 6.445 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.968 2.681 5.483 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.370 1.660 7.275 1.00 0.00 C ATOM 0 H VAL A 50 -1.512 -0.529 7.667 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.009 2.252 8.115 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.859 0.608 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.087 2.690 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.862 2.577 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.019 3.615 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.238 1.719 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.308 2.567 7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.469 0.795 7.931 1.00 0.00 H new ATOM 828 N GLU A 51 -3.900 0.606 6.006 1.00 0.00 N ATOM 829 CA GLU A 51 -5.170 0.626 5.295 1.00 0.00 C ATOM 830 C GLU A 51 -6.289 0.976 6.271 1.00 0.00 C ATOM 831 O GLU A 51 -7.104 1.847 5.994 1.00 0.00 O ATOM 832 CB GLU A 51 -5.373 -0.743 4.618 1.00 0.00 C ATOM 833 CG GLU A 51 -6.603 -0.922 3.735 1.00 0.00 C ATOM 834 CD GLU A 51 -7.895 -1.207 4.525 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.858 -2.030 5.472 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.964 -0.715 4.164 1.00 0.00 O ATOM 0 H GLU A 51 -3.412 -0.288 5.950 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.178 1.388 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.492 -0.951 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.408 -1.502 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.744 -0.022 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.424 -1.742 3.040 1.00 0.00 H new ATOM 843 N GLY A 52 -6.267 0.333 7.438 1.00 0.00 N ATOM 844 CA GLY A 52 -7.239 0.608 8.483 1.00 0.00 C ATOM 845 C GLY A 52 -7.197 2.041 8.933 1.00 0.00 C ATOM 846 O GLY A 52 -8.242 2.675 9.113 1.00 0.00 O ATOM 0 H GLY A 52 -5.582 -0.383 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.239 0.372 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.049 -0.045 9.335 1.00 0.00 H new ATOM 850 N ASP A 53 -5.996 2.554 9.082 1.00 0.00 N ATOM 851 CA ASP A 53 -5.766 3.950 9.447 1.00 0.00 C ATOM 852 C ASP A 53 -6.466 4.895 8.482 1.00 0.00 C ATOM 853 O ASP A 53 -7.263 5.733 8.889 1.00 0.00 O ATOM 854 CB ASP A 53 -4.281 4.239 9.440 1.00 0.00 C ATOM 855 CG ASP A 53 -3.948 5.703 9.699 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.075 6.164 10.847 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.575 6.420 8.749 1.00 0.00 O ATOM 0 H ASP A 53 -5.139 2.016 8.954 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.175 4.111 10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.795 3.624 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.866 3.945 8.476 1.00 0.00 H new ATOM 862 N MET A 54 -6.190 4.733 7.214 1.00 0.00 N ATOM 863 CA MET A 54 -6.791 5.584 6.178 1.00 0.00 C ATOM 864 C MET A 54 -8.260 5.335 5.968 1.00 0.00 C ATOM 865 O MET A 54 -9.000 6.255 5.627 1.00 0.00 O ATOM 866 CB MET A 54 -6.015 5.577 4.866 1.00 0.00 C ATOM 867 CG MET A 54 -5.447 4.276 4.448 1.00 0.00 C ATOM 868 SD MET A 54 -3.738 4.469 3.863 1.00 0.00 S ATOM 869 CE MET A 54 -2.992 5.404 5.212 1.00 0.00 C ATOM 0 H MET A 54 -5.553 4.021 6.857 1.00 0.00 H new ATOM 0 HA MET A 54 -6.712 6.596 6.576 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.676 5.932 4.075 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.200 6.296 4.947 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.472 3.579 5.285 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.060 3.845 3.656 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.906 5.366 5.124 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.324 6.441 5.163 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.294 4.971 6.166 1.00 0.00 H new ATOM 879 N TYR A 55 -8.680 4.123 6.193 1.00 0.00 N ATOM 880 CA TYR A 55 -10.067 3.748 6.107 1.00 0.00 C ATOM 881 C TYR A 55 -10.836 4.554 7.170 1.00 0.00 C ATOM 882 O TYR A 55 -11.817 5.220 6.883 1.00 0.00 O ATOM 883 CB TYR A 55 -10.143 2.244 6.395 1.00 0.00 C ATOM 884 CG TYR A 55 -11.484 1.604 6.265 1.00 0.00 C ATOM 885 CD1 TYR A 55 -12.336 1.540 7.342 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.882 1.029 5.071 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.560 0.928 7.243 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.100 0.409 4.958 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.937 0.361 6.047 1.00 0.00 C ATOM 890 OH TYR A 55 -15.158 -0.257 5.944 1.00 0.00 O ATOM 0 H TYR A 55 -8.060 3.353 6.446 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.500 3.954 5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.455 1.733 5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.781 2.073 7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -12.037 1.979 8.282 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.224 1.069 4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.222 0.892 8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.399 -0.038 4.021 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.410 -0.631 6.814 1.00 0.00 H new ATOM 900 N GLU A 56 -10.313 4.549 8.372 1.00 0.00 N ATOM 901 CA GLU A 56 -10.904 5.280 9.486 1.00 0.00 C ATOM 902 C GLU A 56 -10.687 6.788 9.377 1.00 0.00 C ATOM 903 O GLU A 56 -11.457 7.574 9.918 1.00 0.00 O ATOM 904 CB GLU A 56 -10.361 4.751 10.790 1.00 0.00 C ATOM 905 CG GLU A 56 -10.929 3.408 11.163 1.00 0.00 C ATOM 906 CD GLU A 56 -12.358 3.518 11.607 1.00 0.00 C ATOM 907 OE1 GLU A 56 -12.590 3.801 12.797 1.00 0.00 O ATOM 908 OE2 GLU A 56 -13.284 3.319 10.796 1.00 0.00 O ATOM 0 H GLU A 56 -9.463 4.039 8.614 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.982 5.120 9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.276 4.674 10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.579 5.465 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.863 2.734 10.309 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.332 2.969 11.962 1.00 0.00 H new ATOM 915 N SER A 57 -9.669 7.170 8.671 1.00 0.00 N ATOM 916 CA SER A 57 -9.341 8.571 8.472 1.00 0.00 C ATOM 917 C SER A 57 -10.322 9.206 7.461 1.00 0.00 C ATOM 918 O SER A 57 -10.679 10.394 7.562 1.00 0.00 O ATOM 919 CB SER A 57 -7.879 8.677 7.962 1.00 0.00 C ATOM 920 OG SER A 57 -7.397 10.018 7.895 1.00 0.00 O ATOM 0 H SER A 57 -9.030 6.524 8.208 1.00 0.00 H new ATOM 0 HA SER A 57 -9.432 9.112 9.414 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.230 8.098 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.814 8.226 6.972 1.00 0.00 H new ATOM 0 HG SER A 57 -6.473 10.018 7.569 1.00 0.00 H new ATOM 926 N ALA A 58 -10.781 8.412 6.521 1.00 0.00 N ATOM 927 CA ALA A 58 -11.629 8.898 5.465 1.00 0.00 C ATOM 928 C ALA A 58 -13.102 8.814 5.804 1.00 0.00 C ATOM 929 O ALA A 58 -13.509 8.149 6.755 1.00 0.00 O ATOM 930 CB ALA A 58 -11.359 8.145 4.207 1.00 0.00 C ATOM 0 H ALA A 58 -10.576 7.414 6.470 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.391 9.953 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.005 8.519 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.316 8.279 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.558 7.085 4.367 1.00 0.00 H new ATOM 936 N ASN A 59 -13.895 9.481 4.997 1.00 0.00 N ATOM 937 CA ASN A 59 -15.348 9.513 5.177 1.00 0.00 C ATOM 938 C ASN A 59 -16.054 8.917 3.982 1.00 0.00 C ATOM 939 O ASN A 59 -17.272 9.030 3.825 1.00 0.00 O ATOM 940 CB ASN A 59 -15.843 10.943 5.476 1.00 0.00 C ATOM 941 CG ASN A 59 -15.449 12.018 4.438 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.213 13.160 4.805 1.00 0.00 O ATOM 943 ND2 ASN A 59 -15.408 11.695 3.159 1.00 0.00 N ATOM 0 H ASN A 59 -13.563 10.019 4.196 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.593 8.899 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.930 10.922 5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -15.457 11.245 6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.177 12.402 2.461 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -15.607 10.738 2.868 1.00 0.00 H new ATOM 950 N SER A 60 -15.283 8.293 3.151 1.00 0.00 N ATOM 951 CA SER A 60 -15.759 7.608 2.001 1.00 0.00 C ATOM 952 C SER A 60 -14.674 6.730 1.518 1.00 0.00 C ATOM 953 O SER A 60 -13.493 6.975 1.820 1.00 0.00 O ATOM 954 CB SER A 60 -16.192 8.570 0.906 1.00 0.00 C ATOM 955 OG SER A 60 -15.190 9.533 0.620 1.00 0.00 O ATOM 0 H SER A 60 -14.270 8.247 3.261 1.00 0.00 H new ATOM 0 HA SER A 60 -16.640 7.024 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.425 8.009 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.107 9.078 1.210 1.00 0.00 H new ATOM 0 HG SER A 60 -15.505 10.132 -0.089 1.00 0.00 H new ATOM 961 N ARG A 61 -15.031 5.698 0.805 1.00 0.00 N ATOM 962 CA ARG A 61 -14.025 4.807 0.300 1.00 0.00 C ATOM 963 C ARG A 61 -13.251 5.444 -0.811 1.00 0.00 C ATOM 964 O ARG A 61 -12.103 5.142 -1.002 1.00 0.00 O ATOM 965 CB ARG A 61 -14.530 3.408 -0.086 1.00 0.00 C ATOM 966 CG ARG A 61 -15.453 3.289 -1.290 1.00 0.00 C ATOM 967 CD ARG A 61 -16.702 4.048 -1.111 1.00 0.00 C ATOM 968 NE ARG A 61 -17.714 3.662 -2.102 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.589 4.476 -2.731 1.00 0.00 C ATOM 970 NH1 ARG A 61 -18.572 5.789 -2.539 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.497 3.952 -3.535 1.00 0.00 N ATOM 0 H ARG A 61 -15.992 5.456 0.564 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.354 4.629 1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.660 2.777 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.050 2.991 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.936 3.649 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.689 2.239 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.091 3.878 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.496 5.115 -1.197 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.761 2.672 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.888 6.203 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.243 6.384 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.532 2.942 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.163 4.557 -4.015 1.00 0.00 H new ATOM 985 N ASP A 62 -13.897 6.357 -1.519 1.00 0.00 N ATOM 986 CA ASP A 62 -13.249 7.111 -2.582 1.00 0.00 C ATOM 987 C ASP A 62 -12.108 7.914 -2.009 1.00 0.00 C ATOM 988 O ASP A 62 -11.002 7.842 -2.498 1.00 0.00 O ATOM 989 CB ASP A 62 -14.255 8.039 -3.250 1.00 0.00 C ATOM 990 CG ASP A 62 -13.629 8.967 -4.288 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.429 8.547 -5.441 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.362 10.149 -3.958 1.00 0.00 O ATOM 0 H ASP A 62 -14.878 6.596 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.861 6.418 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.028 7.439 -3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.746 8.641 -2.485 1.00 0.00 H new ATOM 997 N GLU A 63 -12.386 8.612 -0.910 1.00 0.00 N ATOM 998 CA GLU A 63 -11.385 9.405 -0.206 1.00 0.00 C ATOM 999 C GLU A 63 -10.253 8.510 0.286 1.00 0.00 C ATOM 1000 O GLU A 63 -9.083 8.791 0.048 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.014 10.103 1.005 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.014 10.870 1.867 1.00 0.00 C ATOM 1003 CD GLU A 63 -10.592 12.188 1.281 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -9.838 12.213 0.295 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -10.966 13.234 1.846 1.00 0.00 O ATOM 0 H GLU A 63 -13.312 8.643 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.995 10.149 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.782 10.793 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.514 9.357 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.454 11.044 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.130 10.251 2.019 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.620 7.410 0.940 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.661 6.521 1.545 1.00 0.00 C ATOM 1014 C TYR A 64 -8.781 5.866 0.489 1.00 0.00 C ATOM 1015 O TYR A 64 -7.561 5.878 0.609 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.394 5.529 2.490 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.125 4.087 2.291 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -9.060 3.471 2.897 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.945 3.345 1.483 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.822 2.149 2.703 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.717 2.024 1.275 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.648 1.428 1.890 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.406 0.118 1.698 1.00 0.00 O ATOM 0 H TYR A 64 -11.591 7.120 1.059 1.00 0.00 H new ATOM 0 HA TYR A 64 -8.967 7.081 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.132 5.784 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.467 5.691 2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.404 4.044 3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.788 3.820 1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.984 1.671 3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.369 1.450 0.633 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.053 -0.274 2.524 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.407 5.372 -0.567 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.709 4.789 -1.679 1.00 0.00 C ATOM 1035 C TYR A 65 -7.824 5.850 -2.350 1.00 0.00 C ATOM 1036 O TYR A 65 -6.678 5.582 -2.644 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.730 4.071 -2.636 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.291 3.781 -4.050 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -8.013 3.352 -4.361 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.180 3.966 -5.083 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.645 3.122 -5.665 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.815 3.744 -6.376 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.550 3.326 -6.668 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.188 3.147 -7.976 1.00 0.00 O ATOM 0 H TYR A 65 -10.422 5.369 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.026 4.007 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.013 3.125 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.630 4.684 -2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.295 3.196 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.186 4.293 -4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.646 2.782 -5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.529 3.899 -7.172 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.260 3.999 -8.455 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.345 7.062 -2.491 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.602 8.195 -3.065 1.00 0.00 C ATOM 1056 C HIS A 66 -6.339 8.529 -2.260 1.00 0.00 C ATOM 1057 O HIS A 66 -5.243 8.504 -2.796 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.521 9.447 -3.172 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.812 10.753 -3.439 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.748 11.786 -2.521 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.120 11.173 -4.524 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -7.033 12.774 -3.059 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.623 12.455 -4.279 1.00 0.00 N ATOM 0 H HIS A 66 -9.298 7.296 -2.212 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.281 7.898 -4.063 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.245 9.277 -3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.085 9.543 -2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.975 10.608 -5.433 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.816 13.710 -2.566 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.061 13.028 -4.909 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.497 8.818 -0.988 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.379 9.260 -0.174 1.00 0.00 C ATOM 1073 C LEU A 67 -4.316 8.152 0.023 1.00 0.00 C ATOM 1074 O LEU A 67 -3.096 8.428 0.075 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.876 9.936 1.158 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.790 9.114 2.094 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -6.050 8.037 2.773 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.469 9.966 3.136 1.00 0.00 C ATOM 0 H LEU A 67 -7.386 8.756 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.851 10.042 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.997 10.235 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.408 10.849 0.890 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.552 8.681 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.728 7.483 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.626 7.362 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.247 8.468 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.099 9.338 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.716 10.458 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.085 10.720 2.645 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.763 6.897 0.060 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.841 5.801 0.228 1.00 0.00 C ATOM 1092 C LEU A 68 -3.113 5.564 -1.097 1.00 0.00 C ATOM 1093 O LEU A 68 -1.935 5.182 -1.125 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.574 4.542 0.788 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.283 3.573 -0.140 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.293 2.586 -0.711 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.343 2.839 0.634 1.00 0.00 C ATOM 0 H LEU A 68 -5.743 6.628 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.084 6.042 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.837 3.966 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.314 4.896 1.506 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.741 4.125 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.811 1.895 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.526 3.122 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.826 2.028 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.857 2.140 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.880 2.290 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.061 3.554 1.036 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.819 5.843 -2.189 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.276 5.779 -3.521 1.00 0.00 C ATOM 1111 C ALA A 69 -2.193 6.833 -3.686 1.00 0.00 C ATOM 1112 O ALA A 69 -1.204 6.616 -4.356 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.380 5.983 -4.541 1.00 0.00 C ATOM 0 H ALA A 69 -4.799 6.123 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.834 4.796 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.961 5.933 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.133 5.204 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.841 6.959 -4.388 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.379 7.955 -3.040 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.409 9.030 -3.073 1.00 0.00 C ATOM 1121 C GLU A 70 -0.131 8.650 -2.329 1.00 0.00 C ATOM 1122 O GLU A 70 0.987 8.883 -2.833 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.016 10.302 -2.503 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.121 10.871 -3.367 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.601 11.425 -4.669 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.136 12.598 -4.693 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -2.615 10.715 -5.678 1.00 0.00 O ATOM 0 H GLU A 70 -3.205 8.154 -2.475 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.136 9.211 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.411 10.095 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.232 11.051 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.855 10.092 -3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.638 11.659 -2.820 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.277 8.046 -1.145 1.00 0.00 N ATOM 1135 CA LYS A 71 0.901 7.646 -0.379 1.00 0.00 C ATOM 1136 C LYS A 71 1.672 6.518 -1.092 1.00 0.00 C ATOM 1137 O LYS A 71 2.908 6.530 -1.138 1.00 0.00 O ATOM 1138 CB LYS A 71 0.569 7.320 1.125 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.295 6.084 1.397 1.00 0.00 C ATOM 1140 CD LYS A 71 0.509 4.769 1.417 1.00 0.00 C ATOM 1141 CE LYS A 71 1.072 4.390 2.803 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.057 5.344 3.369 1.00 0.00 N ATOM 0 H LYS A 71 -1.173 7.829 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 71 1.569 8.506 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.511 7.199 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.066 8.186 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.801 6.207 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.070 6.016 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.131 3.960 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.336 4.852 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.240 4.295 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.541 3.409 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.476 4.940 4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.807 5.524 2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.580 6.238 3.603 1.00 0.00 H new ATOM 1156 N ILE A 72 0.941 5.574 -1.692 1.00 0.00 N ATOM 1157 CA ILE A 72 1.589 4.472 -2.383 1.00 0.00 C ATOM 1158 C ILE A 72 2.344 4.988 -3.611 1.00 0.00 C ATOM 1159 O ILE A 72 3.498 4.651 -3.819 1.00 0.00 O ATOM 1160 CB ILE A 72 0.603 3.303 -2.775 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.361 2.146 -3.349 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.453 3.720 -3.715 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.508 1.017 -3.862 1.00 0.00 C ATOM 0 H ILE A 72 -0.079 5.555 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 72 2.297 4.037 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 72 0.108 3.003 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.985 2.509 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.032 1.755 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.095 2.869 -3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.049 4.514 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.003 4.086 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.148 0.228 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.098 0.619 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.145 1.385 -4.653 1.00 0.00 H new ATOM 1175 N TYR A 73 1.694 5.862 -4.348 1.00 0.00 N ATOM 1176 CA TYR A 73 2.218 6.482 -5.549 1.00 0.00 C ATOM 1177 C TYR A 73 3.566 7.183 -5.268 1.00 0.00 C ATOM 1178 O TYR A 73 4.583 6.914 -5.953 1.00 0.00 O ATOM 1179 CB TYR A 73 1.150 7.474 -6.045 1.00 0.00 C ATOM 1180 CG TYR A 73 1.481 8.320 -7.243 1.00 0.00 C ATOM 1181 CD1 TYR A 73 2.116 9.520 -7.072 1.00 0.00 C ATOM 1182 CD2 TYR A 73 1.102 7.949 -8.526 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.382 10.348 -8.133 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.374 8.766 -9.611 1.00 0.00 C ATOM 1185 CZ TYR A 73 2.013 9.969 -9.404 1.00 0.00 C ATOM 1186 OH TYR A 73 2.293 10.804 -10.472 1.00 0.00 O ATOM 0 H TYR A 73 0.750 6.173 -4.120 1.00 0.00 H new ATOM 0 HA TYR A 73 2.422 5.735 -6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.247 6.907 -6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.905 8.143 -5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.415 9.822 -6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.589 7.011 -8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.879 11.293 -7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.088 8.464 -10.608 1.00 0.00 H new ATOM 0 HH TYR A 73 1.970 10.394 -11.301 1.00 0.00 H new ATOM 1196 N LYS A 74 3.587 8.038 -4.233 1.00 0.00 N ATOM 1197 CA LYS A 74 4.794 8.789 -3.891 1.00 0.00 C ATOM 1198 C LYS A 74 5.905 7.847 -3.443 1.00 0.00 C ATOM 1199 O LYS A 74 7.078 8.080 -3.737 1.00 0.00 O ATOM 1200 CB LYS A 74 4.534 9.863 -2.813 1.00 0.00 C ATOM 1201 CG LYS A 74 4.250 9.316 -1.417 1.00 0.00 C ATOM 1202 CD LYS A 74 4.079 10.425 -0.387 1.00 0.00 C ATOM 1203 CE LYS A 74 2.895 11.319 -0.696 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.829 12.466 0.226 1.00 0.00 N ATOM 0 H LYS A 74 2.788 8.222 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 74 5.110 9.309 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.401 10.521 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.688 10.475 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.347 8.706 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.067 8.662 -1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.950 9.983 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.987 11.027 -0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.968 11.679 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.973 10.741 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.007 13.057 -0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.735 12.121 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.698 13.031 0.141 1.00 0.00 H new ATOM 1218 N ILE A 75 5.525 6.769 -2.766 1.00 0.00 N ATOM 1219 CA ILE A 75 6.470 5.786 -2.312 1.00 0.00 C ATOM 1220 C ILE A 75 7.079 5.033 -3.489 1.00 0.00 C ATOM 1221 O ILE A 75 8.285 4.787 -3.511 1.00 0.00 O ATOM 1222 CB ILE A 75 5.828 4.815 -1.251 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.180 5.232 0.183 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.212 3.366 -1.476 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.777 6.637 0.573 1.00 0.00 C ATOM 0 H ILE A 75 4.556 6.563 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 75 7.283 6.307 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 75 4.750 4.897 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.706 4.533 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.257 5.132 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.741 2.743 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.876 3.050 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.295 3.262 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.073 6.827 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.271 7.353 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.696 6.745 0.480 1.00 0.00 H new ATOM 1237 N GLN A 76 6.271 4.735 -4.505 1.00 0.00 N ATOM 1238 CA GLN A 76 6.779 3.974 -5.630 1.00 0.00 C ATOM 1239 C GLN A 76 7.805 4.785 -6.383 1.00 0.00 C ATOM 1240 O GLN A 76 8.866 4.285 -6.769 1.00 0.00 O ATOM 1241 CB GLN A 76 5.688 3.498 -6.567 1.00 0.00 C ATOM 1242 CG GLN A 76 4.579 2.724 -5.891 1.00 0.00 C ATOM 1243 CD GLN A 76 3.847 1.783 -6.828 1.00 0.00 C ATOM 1244 OE1 GLN A 76 4.423 1.246 -7.764 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.579 1.583 -6.594 1.00 0.00 N ATOM 0 H GLN A 76 5.289 5.003 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 76 7.247 3.078 -5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.256 4.362 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.136 2.870 -7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.998 2.150 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.865 3.426 -5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.127 2.045 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.040 0.964 -7.200 1.00 0.00 H new ATOM 1254 N LYS A 77 7.527 6.052 -6.559 1.00 0.00 N ATOM 1255 CA LYS A 77 8.492 6.888 -7.190 1.00 0.00 C ATOM 1256 C LYS A 77 9.697 7.181 -6.323 1.00 0.00 C ATOM 1257 O LYS A 77 10.787 7.357 -6.853 1.00 0.00 O ATOM 1258 CB LYS A 77 7.877 8.109 -7.804 1.00 0.00 C ATOM 1259 CG LYS A 77 6.862 8.813 -6.955 1.00 0.00 C ATOM 1260 CD LYS A 77 5.935 9.629 -7.807 1.00 0.00 C ATOM 1261 CE LYS A 77 5.348 8.799 -8.971 1.00 0.00 C ATOM 1262 NZ LYS A 77 6.056 9.049 -10.260 1.00 0.00 N ATOM 0 H LYS A 77 6.660 6.510 -6.279 1.00 0.00 H new ATOM 0 HA LYS A 77 8.892 6.309 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.673 8.813 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.405 7.824 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.290 8.083 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.366 9.458 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.123 10.018 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.472 10.489 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.410 7.739 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.291 9.038 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.442 9.602 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.932 9.579 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.288 8.141 -10.710 1.00 0.00 H new ATOM 1276 N GLU A 78 9.512 7.172 -4.995 1.00 0.00 N ATOM 1277 CA GLU A 78 10.612 7.401 -4.058 1.00 0.00 C ATOM 1278 C GLU A 78 11.588 6.236 -4.163 1.00 0.00 C ATOM 1279 O GLU A 78 12.808 6.428 -4.214 1.00 0.00 O ATOM 1280 CB GLU A 78 10.090 7.510 -2.614 1.00 0.00 C ATOM 1281 CG GLU A 78 10.834 8.528 -1.748 1.00 0.00 C ATOM 1282 CD GLU A 78 10.100 8.863 -0.453 1.00 0.00 C ATOM 1283 OE1 GLU A 78 9.087 9.613 -0.510 1.00 0.00 O ATOM 1284 OE2 GLU A 78 10.556 8.464 0.649 1.00 0.00 O ATOM 0 H GLU A 78 8.609 7.008 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 78 11.108 8.338 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.034 7.778 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.158 6.530 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.823 8.138 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.983 9.443 -2.321 1.00 0.00 H new ATOM 1291 N LEU A 79 11.039 5.022 -4.248 1.00 0.00 N ATOM 1292 CA LEU A 79 11.863 3.844 -4.369 1.00 0.00 C ATOM 1293 C LEU A 79 12.620 3.816 -5.676 1.00 0.00 C ATOM 1294 O LEU A 79 13.811 3.608 -5.664 1.00 0.00 O ATOM 1295 CB LEU A 79 11.098 2.511 -4.073 1.00 0.00 C ATOM 1296 CG LEU A 79 9.882 2.136 -4.938 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.280 1.431 -6.230 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.900 1.300 -4.157 1.00 0.00 C ATOM 0 H LEU A 79 10.035 4.842 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 79 12.609 3.916 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.818 1.696 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.764 2.547 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 79 9.398 3.071 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.385 1.189 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.922 2.086 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.819 0.513 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.050 1.049 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.387 0.384 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.552 1.862 -3.290 1.00 0.00 H new ATOM 1310 N GLU A 80 11.961 4.102 -6.799 1.00 0.00 N ATOM 1311 CA GLU A 80 12.663 4.023 -8.079 1.00 0.00 C ATOM 1312 C GLU A 80 13.722 5.127 -8.221 1.00 0.00 C ATOM 1313 O GLU A 80 14.804 4.887 -8.758 1.00 0.00 O ATOM 1314 CB GLU A 80 11.713 3.979 -9.289 1.00 0.00 C ATOM 1315 CG GLU A 80 10.914 5.236 -9.526 1.00 0.00 C ATOM 1316 CD GLU A 80 10.018 5.140 -10.742 1.00 0.00 C ATOM 1317 OE1 GLU A 80 10.534 4.854 -11.843 1.00 0.00 O ATOM 1318 OE2 GLU A 80 8.795 5.417 -10.635 1.00 0.00 O ATOM 0 H GLU A 80 10.981 4.380 -6.851 1.00 0.00 H new ATOM 0 HA GLU A 80 13.187 3.067 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.299 3.767 -10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.021 3.147 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.305 5.445 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.596 6.077 -9.648 1.00 0.00 H new ATOM 1325 N GLU A 81 13.447 6.316 -7.686 1.00 0.00 N ATOM 1326 CA GLU A 81 14.412 7.398 -7.783 1.00 0.00 C ATOM 1327 C GLU A 81 15.646 7.110 -6.943 1.00 0.00 C ATOM 1328 O GLU A 81 16.759 7.302 -7.409 1.00 0.00 O ATOM 1329 CB GLU A 81 13.814 8.780 -7.455 1.00 0.00 C ATOM 1330 CG GLU A 81 13.229 8.919 -6.067 1.00 0.00 C ATOM 1331 CD GLU A 81 12.601 10.262 -5.836 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.332 11.208 -5.528 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.365 10.401 -5.971 1.00 0.00 O ATOM 0 H GLU A 81 12.584 6.547 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 81 14.714 7.445 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.592 9.533 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.035 9.002 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.481 8.141 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 81 14.014 8.757 -5.328 1.00 0.00 H new ATOM 1340 N LYS A 82 15.456 6.584 -5.727 1.00 0.00 N ATOM 1341 CA LYS A 82 16.600 6.284 -4.868 1.00 0.00 C ATOM 1342 C LYS A 82 17.387 5.115 -5.413 1.00 0.00 C ATOM 1343 O LYS A 82 18.611 5.051 -5.292 1.00 0.00 O ATOM 1344 CB LYS A 82 16.189 6.064 -3.353 1.00 0.00 C ATOM 1345 CG LYS A 82 15.269 4.848 -2.977 1.00 0.00 C ATOM 1346 CD LYS A 82 15.942 3.469 -3.144 1.00 0.00 C ATOM 1347 CE LYS A 82 17.260 3.338 -2.396 1.00 0.00 C ATOM 1348 NZ LYS A 82 17.995 2.100 -2.789 1.00 0.00 N ATOM 0 H LYS A 82 14.544 6.363 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 82 17.247 7.162 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.108 5.971 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.689 6.971 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.945 4.959 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.373 4.880 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.258 2.696 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.116 3.285 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.882 4.210 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.070 3.324 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.855 2.009 -2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.386 1.271 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.258 2.156 -3.794 1.00 0.00 H new ATOM 1362 N ARG A 83 16.667 4.206 -6.015 1.00 0.00 N ATOM 1363 CA ARG A 83 17.201 2.959 -6.462 1.00 0.00 C ATOM 1364 C ARG A 83 17.981 3.134 -7.746 1.00 0.00 C ATOM 1365 O ARG A 83 18.983 2.463 -7.959 1.00 0.00 O ATOM 1366 CB ARG A 83 16.047 1.991 -6.648 1.00 0.00 C ATOM 1367 CG ARG A 83 16.328 0.523 -6.420 1.00 0.00 C ATOM 1368 CD ARG A 83 15.020 -0.238 -6.548 1.00 0.00 C ATOM 1369 NE ARG A 83 15.073 -1.590 -6.010 1.00 0.00 N ATOM 1370 CZ ARG A 83 14.245 -2.577 -6.345 1.00 0.00 C ATOM 1371 NH1 ARG A 83 13.383 -2.418 -7.339 1.00 0.00 N ATOM 1372 NH2 ARG A 83 14.287 -3.719 -5.670 1.00 0.00 N ATOM 0 H ARG A 83 15.672 4.320 -6.210 1.00 0.00 H new ATOM 0 HA ARG A 83 17.897 2.564 -5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.245 2.289 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.669 2.108 -7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 83 17.053 0.158 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 83 16.762 0.368 -5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 83 14.235 0.317 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.740 -0.286 -7.600 1.00 0.00 H new ATOM 0 HE ARG A 83 15.800 -1.796 -5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.352 -1.536 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.751 -3.177 -7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.949 -3.834 -4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.657 -4.482 -5.918 1.00 0.00 H new ATOM 1386 N ARG A 84 17.530 4.047 -8.589 1.00 0.00 N ATOM 1387 CA ARG A 84 18.149 4.219 -9.875 1.00 0.00 C ATOM 1388 C ARG A 84 18.965 5.501 -9.993 1.00 0.00 C ATOM 1389 O ARG A 84 20.177 5.440 -10.230 1.00 0.00 O ATOM 1390 CB ARG A 84 17.082 4.203 -10.954 1.00 0.00 C ATOM 1391 CG ARG A 84 17.625 4.179 -12.362 1.00 0.00 C ATOM 1392 CD ARG A 84 16.512 4.343 -13.358 1.00 0.00 C ATOM 1393 NE ARG A 84 16.961 4.137 -14.734 1.00 0.00 N ATOM 1394 CZ ARG A 84 16.342 4.622 -15.819 1.00 0.00 C ATOM 1395 NH1 ARG A 84 15.366 5.518 -15.690 1.00 0.00 N ATOM 1396 NH2 ARG A 84 16.727 4.244 -17.037 1.00 0.00 N ATOM 0 H ARG A 84 16.745 4.671 -8.402 1.00 0.00 H new ATOM 0 HA ARG A 84 18.846 3.390 -9.999 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.446 3.330 -10.807 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.449 5.082 -10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.356 4.977 -12.490 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.146 3.238 -12.541 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.716 3.635 -13.129 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.087 5.342 -13.263 1.00 0.00 H new ATOM 0 HE ARG A 84 17.806 3.584 -14.878 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.087 5.838 -14.763 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.897 5.885 -16.519 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.496 3.583 -17.147 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.253 4.616 -17.860 1.00 0.00 H new ATOM 1410 N SER A 85 18.346 6.659 -9.800 1.00 0.00 N ATOM 1411 CA SER A 85 19.036 7.908 -10.091 1.00 0.00 C ATOM 1412 C SER A 85 18.480 9.151 -9.363 1.00 0.00 C ATOM 1413 O SER A 85 17.506 9.767 -9.803 1.00 0.00 O ATOM 1414 CB SER A 85 19.073 8.165 -11.619 1.00 0.00 C ATOM 1415 OG SER A 85 19.867 7.200 -12.307 1.00 0.00 O ATOM 0 H SER A 85 17.392 6.759 -9.452 1.00 0.00 H new ATOM 0 HA SER A 85 20.044 7.767 -9.700 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.057 8.146 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 85 19.470 9.162 -11.809 1.00 0.00 H new ATOM 0 HG SER A 85 19.862 7.397 -13.267 1.00 0.00 H new ATOM 1421 N ARG A 86 19.042 9.437 -8.214 1.00 0.00 N ATOM 1422 CA ARG A 86 18.864 10.724 -7.545 1.00 0.00 C ATOM 1423 C ARG A 86 20.164 11.174 -6.872 1.00 0.00 C ATOM 1424 O ARG A 86 20.356 12.360 -6.577 1.00 0.00 O ATOM 1425 CB ARG A 86 17.658 10.785 -6.596 1.00 0.00 C ATOM 1426 CG ARG A 86 17.643 9.790 -5.464 1.00 0.00 C ATOM 1427 CD ARG A 86 16.500 10.087 -4.491 1.00 0.00 C ATOM 1428 NE ARG A 86 16.743 11.306 -3.693 1.00 0.00 N ATOM 1429 CZ ARG A 86 15.820 11.966 -2.965 1.00 0.00 C ATOM 1430 NH1 ARG A 86 14.530 11.846 -3.239 1.00 0.00 N ATOM 1431 NH2 ARG A 86 16.203 12.844 -2.047 1.00 0.00 N ATOM 0 H ARG A 86 19.641 8.787 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 86 18.621 11.440 -8.330 1.00 0.00 H new ATOM 0 HB2 ARG A 86 17.609 11.787 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.752 10.645 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 86 17.534 8.781 -5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.595 9.822 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.571 10.201 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.367 9.238 -3.821 1.00 0.00 H new ATOM 0 HE ARG A 86 17.692 11.681 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.225 11.249 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.841 12.350 -2.681 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.196 13.020 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.505 13.343 -1.496 1.00 0.00 H new ATOM 1445 N LEU A 87 21.043 10.222 -6.605 1.00 0.00 N ATOM 1446 CA LEU A 87 22.402 10.506 -6.142 1.00 0.00 C ATOM 1447 C LEU A 87 23.380 9.950 -7.145 1.00 0.00 C ATOM 1448 O LEU A 87 22.996 9.119 -7.986 1.00 0.00 O ATOM 1449 CB LEU A 87 22.722 9.913 -4.746 1.00 0.00 C ATOM 1450 CG LEU A 87 22.132 10.604 -3.501 1.00 0.00 C ATOM 1451 CD1 LEU A 87 22.520 12.072 -3.450 1.00 0.00 C ATOM 1452 CD2 LEU A 87 20.632 10.426 -3.410 1.00 0.00 C ATOM 0 H LEU A 87 20.839 9.227 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 87 22.486 11.589 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 87 22.385 8.876 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 87 23.806 9.896 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 87 22.564 10.115 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 87 22.089 12.532 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 87 23.606 12.160 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 87 22.144 12.579 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.259 10.929 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.160 10.857 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 87 20.394 9.364 -3.353 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 21.439 9.754 14.144 1.00 0.00 N ATOM 1466 CA GLY B 101 20.158 10.386 14.368 1.00 0.00 C ATOM 1467 C GLY B 101 19.904 11.459 13.350 1.00 0.00 C ATOM 1468 O GLY B 101 18.796 11.975 13.229 1.00 0.00 O ATOM 0 HA2 GLY B 101 19.366 9.639 14.320 1.00 0.00 H new ATOM 0 HA3 GLY B 101 20.130 10.816 15.369 1.00 0.00 H new ATOM 1472 N SER B 102 20.926 11.760 12.587 1.00 0.00 N ATOM 1473 CA SER B 102 20.854 12.775 11.560 1.00 0.00 C ATOM 1474 C SER B 102 20.036 12.240 10.388 1.00 0.00 C ATOM 1475 O SER B 102 19.314 12.982 9.726 1.00 0.00 O ATOM 1476 CB SER B 102 22.275 13.196 11.110 1.00 0.00 C ATOM 1477 OG SER B 102 22.238 14.273 10.175 1.00 0.00 O ATOM 0 H SER B 102 21.837 11.306 12.660 1.00 0.00 H new ATOM 0 HA SER B 102 20.363 13.664 11.956 1.00 0.00 H new ATOM 0 HB2 SER B 102 22.860 13.491 11.981 1.00 0.00 H new ATOM 0 HB3 SER B 102 22.782 12.342 10.661 1.00 0.00 H new ATOM 0 HG SER B 102 23.152 14.512 9.915 1.00 0.00 H new ATOM 1483 N MET B 103 20.120 10.931 10.183 1.00 0.00 N ATOM 1484 CA MET B 103 19.383 10.252 9.128 1.00 0.00 C ATOM 1485 C MET B 103 17.885 10.231 9.451 1.00 0.00 C ATOM 1486 O MET B 103 17.031 10.137 8.556 1.00 0.00 O ATOM 1487 CB MET B 103 19.901 8.815 8.934 1.00 0.00 C ATOM 1488 CG MET B 103 19.741 7.914 10.157 1.00 0.00 C ATOM 1489 SD MET B 103 20.198 6.202 9.840 1.00 0.00 S ATOM 1490 CE MET B 103 19.855 5.472 11.446 1.00 0.00 C ATOM 0 H MET B 103 20.703 10.311 10.745 1.00 0.00 H new ATOM 0 HA MET B 103 19.537 10.802 8.200 1.00 0.00 H new ATOM 0 HB2 MET B 103 19.374 8.363 8.094 1.00 0.00 H new ATOM 0 HB3 MET B 103 20.956 8.856 8.664 1.00 0.00 H new ATOM 0 HG2 MET B 103 20.355 8.303 10.970 1.00 0.00 H new ATOM 0 HG3 MET B 103 18.705 7.950 10.494 1.00 0.00 H new ATOM 0 HE1 MET B 103 20.087 4.407 11.419 1.00 0.00 H new ATOM 0 HE2 MET B 103 20.469 5.958 12.205 1.00 0.00 H new ATOM 0 HE3 MET B 103 18.801 5.608 11.690 1.00 0.00 H new ATOM 1500 N SER B 104 17.565 10.355 10.724 1.00 0.00 N ATOM 1501 CA SER B 104 16.212 10.357 11.150 1.00 0.00 C ATOM 1502 C SER B 104 15.712 11.801 11.117 1.00 0.00 C ATOM 1503 O SER B 104 15.711 12.520 12.123 1.00 0.00 O ATOM 1504 CB SER B 104 16.077 9.726 12.542 1.00 0.00 C ATOM 1505 OG SER B 104 14.731 9.429 12.839 1.00 0.00 O ATOM 0 H SER B 104 18.246 10.456 11.477 1.00 0.00 H new ATOM 0 HA SER B 104 15.598 9.751 10.483 1.00 0.00 H new ATOM 0 HB2 SER B 104 16.672 8.814 12.590 1.00 0.00 H new ATOM 0 HB3 SER B 104 16.476 10.407 13.293 1.00 0.00 H new ATOM 0 HG SER B 104 14.381 10.092 13.471 1.00 0.00 H new ATOM 1511 N HIS B 105 15.385 12.225 9.916 1.00 0.00 N ATOM 1512 CA HIS B 105 14.946 13.586 9.628 1.00 0.00 C ATOM 1513 C HIS B 105 13.516 13.830 10.101 1.00 0.00 C ATOM 1514 O HIS B 105 13.129 14.968 10.345 1.00 0.00 O ATOM 1515 CB HIS B 105 15.027 13.846 8.113 1.00 0.00 C ATOM 1516 CG HIS B 105 16.409 13.798 7.515 1.00 0.00 C ATOM 1517 ND1 HIS B 105 17.004 12.652 7.010 1.00 0.00 N ATOM 1518 CD2 HIS B 105 17.299 14.797 7.306 1.00 0.00 C ATOM 1519 CE1 HIS B 105 18.198 12.985 6.527 1.00 0.00 C ATOM 1520 NE2 HIS B 105 18.429 14.279 6.679 1.00 0.00 N ATOM 0 H HIS B 105 15.415 11.626 9.091 1.00 0.00 H new ATOM 0 HA HIS B 105 15.605 14.268 10.166 1.00 0.00 H new ATOM 0 HB2 HIS B 105 14.405 13.111 7.603 1.00 0.00 H new ATOM 0 HB3 HIS B 105 14.596 14.826 7.908 1.00 0.00 H new ATOM 0 HD1 HIS B 105 16.597 11.717 7.009 1.00 0.00 H new ATOM 0 HD2 HIS B 105 17.155 15.831 7.582 1.00 0.00 H new ATOM 0 HE1 HIS B 105 18.888 12.291 6.071 1.00 0.00 H new ATOM 1528 N TYR B 106 12.764 12.743 10.243 1.00 0.00 N ATOM 1529 CA TYR B 106 11.339 12.772 10.572 1.00 0.00 C ATOM 1530 C TYR B 106 10.529 13.549 9.550 1.00 0.00 C ATOM 1531 O TYR B 106 10.253 14.750 9.688 1.00 0.00 O ATOM 1532 CB TYR B 106 11.034 13.156 12.019 1.00 0.00 C ATOM 1533 CG TYR B 106 11.520 12.127 13.007 1.00 0.00 C ATOM 1534 CD1 TYR B 106 10.944 10.864 13.059 1.00 0.00 C ATOM 1535 CD2 TYR B 106 12.562 12.403 13.867 1.00 0.00 C ATOM 1536 CE1 TYR B 106 11.394 9.913 13.947 1.00 0.00 C ATOM 1537 CE2 TYR B 106 13.022 11.458 14.756 1.00 0.00 C ATOM 1538 CZ TYR B 106 12.436 10.216 14.794 1.00 0.00 C ATOM 1539 OH TYR B 106 12.912 9.260 15.671 1.00 0.00 O ATOM 0 H TYR B 106 13.133 11.799 10.131 1.00 0.00 H new ATOM 0 HA TYR B 106 11.004 11.737 10.504 1.00 0.00 H new ATOM 0 HB2 TYR B 106 11.499 14.116 12.242 1.00 0.00 H new ATOM 0 HB3 TYR B 106 9.958 13.288 12.137 1.00 0.00 H new ATOM 0 HD1 TYR B 106 10.129 10.624 12.392 1.00 0.00 H new ATOM 0 HD2 TYR B 106 13.026 13.378 13.843 1.00 0.00 H new ATOM 0 HE1 TYR B 106 10.933 8.937 13.979 1.00 0.00 H new ATOM 0 HE2 TYR B 106 13.840 11.692 15.421 1.00 0.00 H new ATOM 0 HH TYR B 106 13.649 9.636 16.196 1.00 0.00 H new ATOM 1549 N GLY B 107 10.197 12.831 8.524 1.00 0.00 N ATOM 1550 CA GLY B 107 9.522 13.326 7.382 1.00 0.00 C ATOM 1551 C GLY B 107 10.069 12.632 6.159 1.00 0.00 C ATOM 1552 O GLY B 107 9.324 12.159 5.310 1.00 0.00 O ATOM 0 H GLY B 107 10.403 11.834 8.464 1.00 0.00 H new ATOM 0 HA2 GLY B 107 8.450 13.148 7.470 1.00 0.00 H new ATOM 0 HA3 GLY B 107 9.661 14.404 7.299 1.00 0.00 H new ATOM 1556 N ASN B 108 11.394 12.526 6.097 1.00 0.00 N ATOM 1557 CA ASN B 108 12.065 11.903 4.938 1.00 0.00 C ATOM 1558 C ASN B 108 12.757 10.589 5.289 1.00 0.00 C ATOM 1559 O ASN B 108 13.530 10.066 4.499 1.00 0.00 O ATOM 1560 CB ASN B 108 13.099 12.855 4.292 1.00 0.00 C ATOM 1561 CG ASN B 108 12.525 14.160 3.771 1.00 0.00 C ATOM 1562 OD1 ASN B 108 11.364 14.240 3.374 1.00 0.00 O ATOM 1563 ND2 ASN B 108 13.331 15.196 3.756 1.00 0.00 N ATOM 0 H ASN B 108 12.028 12.857 6.824 1.00 0.00 H new ATOM 0 HA ASN B 108 11.268 11.693 4.225 1.00 0.00 H new ATOM 0 HB2 ASN B 108 13.872 13.082 5.027 1.00 0.00 H new ATOM 0 HB3 ASN B 108 13.586 12.334 3.468 1.00 0.00 H new ATOM 0 HD21 ASN B 108 12.999 16.096 3.409 1.00 0.00 H new ATOM 0 HD22 ASN B 108 14.290 15.101 4.091 1.00 0.00 H new ATOM 1570 N GLN B 109 12.458 10.016 6.442 1.00 0.00 N ATOM 1571 CA GLN B 109 13.089 8.732 6.832 1.00 0.00 C ATOM 1572 C GLN B 109 12.502 7.586 6.010 1.00 0.00 C ATOM 1573 O GLN B 109 13.033 6.474 6.006 1.00 0.00 O ATOM 1574 CB GLN B 109 12.954 8.410 8.348 1.00 0.00 C ATOM 1575 CG GLN B 109 11.537 8.051 8.808 1.00 0.00 C ATOM 1576 CD GLN B 109 10.587 9.197 8.658 1.00 0.00 C ATOM 1577 OE1 GLN B 109 10.978 10.333 8.787 1.00 0.00 O ATOM 1578 NE2 GLN B 109 9.386 8.928 8.302 1.00 0.00 N ATOM 0 H GLN B 109 11.800 10.396 7.122 1.00 0.00 H new ATOM 0 HA GLN B 109 14.154 8.840 6.626 1.00 0.00 H new ATOM 0 HB2 GLN B 109 13.619 7.581 8.589 1.00 0.00 H new ATOM 0 HB3 GLN B 109 13.298 9.272 8.920 1.00 0.00 H new ATOM 0 HG2 GLN B 109 11.173 7.202 8.230 1.00 0.00 H new ATOM 0 HG3 GLN B 109 11.564 7.738 9.852 1.00 0.00 H new ATOM 0 HE21 GLN B 109 9.089 7.957 8.203 1.00 0.00 H new ATOM 0 HE22 GLN B 109 8.727 9.685 8.118 1.00 0.00 H new ATOM 1587 N THR B 110 11.403 7.879 5.306 1.00 0.00 N ATOM 1588 CA THR B 110 10.722 6.922 4.466 1.00 0.00 C ATOM 1589 C THR B 110 11.661 6.398 3.397 1.00 0.00 C ATOM 1590 O THR B 110 11.542 5.264 2.971 1.00 0.00 O ATOM 1591 CB THR B 110 9.490 7.563 3.811 1.00 0.00 C ATOM 1592 OG1 THR B 110 9.876 8.803 3.195 1.00 0.00 O ATOM 1593 CG2 THR B 110 8.400 7.823 4.844 1.00 0.00 C ATOM 0 H THR B 110 10.967 8.801 5.312 1.00 0.00 H new ATOM 0 HA THR B 110 10.395 6.090 5.089 1.00 0.00 H new ATOM 0 HB THR B 110 9.095 6.879 3.060 1.00 0.00 H new ATOM 0 HG1 THR B 110 9.812 8.718 2.221 1.00 0.00 H new ATOM 0 HG21 THR B 110 7.537 8.277 4.356 1.00 0.00 H new ATOM 0 HG22 THR B 110 8.102 6.881 5.304 1.00 0.00 H new ATOM 0 HG23 THR B 110 8.780 8.497 5.612 1.00 0.00 H new ATOM 1601 N LEU B 111 12.626 7.241 3.018 1.00 0.00 N ATOM 1602 CA LEU B 111 13.646 6.902 2.050 1.00 0.00 C ATOM 1603 C LEU B 111 14.392 5.647 2.501 1.00 0.00 C ATOM 1604 O LEU B 111 14.395 4.627 1.808 1.00 0.00 O ATOM 1605 CB LEU B 111 14.642 8.060 1.930 1.00 0.00 C ATOM 1606 CG LEU B 111 15.738 7.899 0.879 1.00 0.00 C ATOM 1607 CD1 LEU B 111 15.157 7.975 -0.520 1.00 0.00 C ATOM 1608 CD2 LEU B 111 16.827 8.931 1.070 1.00 0.00 C ATOM 0 H LEU B 111 12.712 8.188 3.386 1.00 0.00 H new ATOM 0 HA LEU B 111 13.174 6.718 1.085 1.00 0.00 H new ATOM 0 HB2 LEU B 111 14.085 8.970 1.707 1.00 0.00 H new ATOM 0 HB3 LEU B 111 15.116 8.206 2.900 1.00 0.00 H new ATOM 0 HG LEU B 111 16.186 6.913 1.006 1.00 0.00 H new ATOM 0 HD11 LEU B 111 15.956 7.858 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU B 111 14.423 7.180 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU B 111 14.674 8.942 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU B 111 17.595 8.794 0.309 1.00 0.00 H new ATOM 0 HD22 LEU B 111 16.401 9.930 0.980 1.00 0.00 H new ATOM 0 HD23 LEU B 111 17.271 8.813 2.059 1.00 0.00 H new ATOM 1620 N GLN B 112 14.983 5.708 3.691 1.00 0.00 N ATOM 1621 CA GLN B 112 15.755 4.592 4.188 1.00 0.00 C ATOM 1622 C GLN B 112 14.856 3.460 4.684 1.00 0.00 C ATOM 1623 O GLN B 112 15.260 2.306 4.701 1.00 0.00 O ATOM 1624 CB GLN B 112 16.773 5.000 5.247 1.00 0.00 C ATOM 1625 CG GLN B 112 16.193 5.419 6.573 1.00 0.00 C ATOM 1626 CD GLN B 112 17.276 5.790 7.536 1.00 0.00 C ATOM 1627 OE1 GLN B 112 17.666 6.949 7.626 1.00 0.00 O ATOM 1628 NE2 GLN B 112 17.810 4.818 8.227 1.00 0.00 N ATOM 0 H GLN B 112 14.939 6.512 4.317 1.00 0.00 H new ATOM 0 HA GLN B 112 16.326 4.216 3.339 1.00 0.00 H new ATOM 0 HB2 GLN B 112 17.453 4.164 5.415 1.00 0.00 H new ATOM 0 HB3 GLN B 112 17.370 5.823 4.855 1.00 0.00 H new ATOM 0 HG2 GLN B 112 15.522 6.266 6.430 1.00 0.00 H new ATOM 0 HG3 GLN B 112 15.596 4.606 6.986 1.00 0.00 H new ATOM 0 HE21 GLN B 112 17.458 3.866 8.125 1.00 0.00 H new ATOM 0 HE22 GLN B 112 18.579 5.011 8.869 1.00 0.00 H new ATOM 1637 N ASP B 113 13.642 3.795 5.080 1.00 0.00 N ATOM 1638 CA ASP B 113 12.644 2.796 5.496 1.00 0.00 C ATOM 1639 C ASP B 113 12.300 1.911 4.301 1.00 0.00 C ATOM 1640 O ASP B 113 12.352 0.660 4.362 1.00 0.00 O ATOM 1641 CB ASP B 113 11.384 3.508 6.019 1.00 0.00 C ATOM 1642 CG ASP B 113 10.269 2.568 6.441 1.00 0.00 C ATOM 1643 OD1 ASP B 113 10.405 1.899 7.483 1.00 0.00 O ATOM 1644 OD2 ASP B 113 9.235 2.505 5.756 1.00 0.00 O ATOM 0 H ASP B 113 13.310 4.758 5.126 1.00 0.00 H new ATOM 0 HA ASP B 113 13.048 2.177 6.297 1.00 0.00 H new ATOM 0 HB2 ASP B 113 11.659 4.132 6.869 1.00 0.00 H new ATOM 0 HB3 ASP B 113 11.008 4.174 5.243 1.00 0.00 H new ATOM 1649 N LEU B 114 12.045 2.561 3.200 1.00 0.00 N ATOM 1650 CA LEU B 114 11.732 1.904 1.961 1.00 0.00 C ATOM 1651 C LEU B 114 12.999 1.247 1.398 1.00 0.00 C ATOM 1652 O LEU B 114 12.937 0.244 0.692 1.00 0.00 O ATOM 1653 CB LEU B 114 11.140 2.932 1.013 1.00 0.00 C ATOM 1654 CG LEU B 114 10.590 2.454 -0.313 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.574 1.334 -0.110 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.934 3.633 -0.995 1.00 0.00 C ATOM 0 H LEU B 114 12.049 3.579 3.137 1.00 0.00 H new ATOM 0 HA LEU B 114 10.998 1.111 2.106 1.00 0.00 H new ATOM 0 HB2 LEU B 114 10.336 3.446 1.540 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.910 3.674 0.805 1.00 0.00 H new ATOM 0 HG LEU B 114 11.399 2.057 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.194 1.008 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.054 0.494 0.393 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.748 1.698 0.500 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.527 3.317 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU B 114 9.128 4.014 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.673 4.419 -1.154 1.00 0.00 H new ATOM 1668 N LEU B 115 14.147 1.809 1.741 1.00 0.00 N ATOM 1669 CA LEU B 115 15.423 1.207 1.407 1.00 0.00 C ATOM 1670 C LEU B 115 15.588 -0.093 2.194 1.00 0.00 C ATOM 1671 O LEU B 115 16.121 -1.063 1.683 1.00 0.00 O ATOM 1672 CB LEU B 115 16.588 2.205 1.667 1.00 0.00 C ATOM 1673 CG LEU B 115 18.048 1.762 1.365 1.00 0.00 C ATOM 1674 CD1 LEU B 115 18.642 0.943 2.503 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.105 0.967 0.077 1.00 0.00 C ATOM 0 H LEU B 115 14.219 2.688 2.254 1.00 0.00 H new ATOM 0 HA LEU B 115 15.450 0.967 0.344 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.389 3.102 1.080 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.544 2.495 2.717 1.00 0.00 H new ATOM 0 HG LEU B 115 18.644 2.669 1.259 1.00 0.00 H new ATOM 0 HD11 LEU B 115 19.662 0.655 2.250 1.00 0.00 H new ATOM 0 HD12 LEU B 115 18.649 1.539 3.415 1.00 0.00 H new ATOM 0 HD13 LEU B 115 18.040 0.048 2.660 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.134 0.665 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU B 115 17.478 0.080 0.169 1.00 0.00 H new ATOM 0 HD23 LEU B 115 17.744 1.583 -0.747 1.00 0.00 H new ATOM 1687 N THR B 116 15.099 -0.111 3.418 1.00 0.00 N ATOM 1688 CA THR B 116 15.143 -1.301 4.243 1.00 0.00 C ATOM 1689 C THR B 116 14.312 -2.401 3.565 1.00 0.00 C ATOM 1690 O THR B 116 14.697 -3.579 3.559 1.00 0.00 O ATOM 1691 CB THR B 116 14.619 -0.998 5.669 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.368 0.102 6.218 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.777 -2.201 6.582 1.00 0.00 C ATOM 0 H THR B 116 14.662 0.694 3.867 1.00 0.00 H new ATOM 0 HA THR B 116 16.173 -1.642 4.345 1.00 0.00 H new ATOM 0 HB THR B 116 13.559 -0.752 5.601 1.00 0.00 H new ATOM 0 HG1 THR B 116 15.086 0.937 5.789 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.400 -1.956 7.575 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.213 -3.042 6.177 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.831 -2.470 6.650 1.00 0.00 H new ATOM 1701 N SER B 117 13.210 -1.991 2.959 1.00 0.00 N ATOM 1702 CA SER B 117 12.394 -2.882 2.160 1.00 0.00 C ATOM 1703 C SER B 117 13.167 -3.335 0.887 1.00 0.00 C ATOM 1704 O SER B 117 13.259 -4.526 0.589 1.00 0.00 O ATOM 1705 CB SER B 117 11.155 -2.144 1.753 1.00 0.00 C ATOM 1706 OG SER B 117 10.537 -1.522 2.868 1.00 0.00 O ATOM 0 H SER B 117 12.859 -1.034 3.008 1.00 0.00 H new ATOM 0 HA SER B 117 12.141 -3.768 2.743 1.00 0.00 H new ATOM 0 HB2 SER B 117 11.406 -1.391 1.006 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.454 -2.835 1.285 1.00 0.00 H new ATOM 0 HG SER B 117 9.621 -1.265 2.633 1.00 0.00 H new ATOM 1712 N ASP B 118 13.735 -2.363 0.174 1.00 0.00 N ATOM 1713 CA ASP B 118 14.528 -2.587 -1.064 1.00 0.00 C ATOM 1714 C ASP B 118 15.679 -3.561 -0.813 1.00 0.00 C ATOM 1715 O ASP B 118 15.965 -4.438 -1.635 1.00 0.00 O ATOM 1716 CB ASP B 118 15.048 -1.225 -1.579 1.00 0.00 C ATOM 1717 CG ASP B 118 16.053 -1.288 -2.728 1.00 0.00 C ATOM 1718 OD1 ASP B 118 15.986 -2.199 -3.574 1.00 0.00 O ATOM 1719 OD2 ASP B 118 16.907 -0.369 -2.817 1.00 0.00 O ATOM 0 H ASP B 118 13.664 -1.379 0.432 1.00 0.00 H new ATOM 0 HA ASP B 118 13.891 -3.039 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP B 118 14.194 -0.630 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.510 -0.695 -0.746 1.00 0.00 H new ATOM 1724 N SER B 119 16.256 -3.462 0.359 1.00 0.00 N ATOM 1725 CA SER B 119 17.359 -4.305 0.759 1.00 0.00 C ATOM 1726 C SER B 119 16.951 -5.795 0.904 1.00 0.00 C ATOM 1727 O SER B 119 17.816 -6.678 0.902 1.00 0.00 O ATOM 1728 CB SER B 119 17.993 -3.765 2.043 1.00 0.00 C ATOM 1729 OG SER B 119 18.421 -2.413 1.853 1.00 0.00 O ATOM 0 H SER B 119 15.972 -2.788 1.070 1.00 0.00 H new ATOM 0 HA SER B 119 18.103 -4.276 -0.037 1.00 0.00 H new ATOM 0 HB2 SER B 119 17.274 -3.815 2.861 1.00 0.00 H new ATOM 0 HB3 SER B 119 18.842 -4.386 2.327 1.00 0.00 H new ATOM 0 HG SER B 119 17.638 -1.837 1.728 1.00 0.00 H new ATOM 1735 N LEU B 120 15.646 -6.087 1.027 1.00 0.00 N ATOM 1736 CA LEU B 120 15.227 -7.485 1.067 1.00 0.00 C ATOM 1737 C LEU B 120 14.812 -7.946 -0.319 1.00 0.00 C ATOM 1738 O LEU B 120 14.791 -9.147 -0.611 1.00 0.00 O ATOM 1739 CB LEU B 120 14.126 -7.788 2.163 1.00 0.00 C ATOM 1740 CG LEU B 120 12.684 -7.179 2.043 1.00 0.00 C ATOM 1741 CD1 LEU B 120 11.857 -7.826 0.931 1.00 0.00 C ATOM 1742 CD2 LEU B 120 11.937 -7.316 3.363 1.00 0.00 C ATOM 0 H LEU B 120 14.895 -5.401 1.097 1.00 0.00 H new ATOM 0 HA LEU B 120 16.091 -8.071 1.381 1.00 0.00 H new ATOM 0 HB2 LEU B 120 14.013 -8.871 2.213 1.00 0.00 H new ATOM 0 HB3 LEU B 120 14.531 -7.465 3.122 1.00 0.00 H new ATOM 0 HG LEU B 120 12.816 -6.127 1.791 1.00 0.00 H new ATOM 0 HD11 LEU B 120 10.870 -7.364 0.896 1.00 0.00 H new ATOM 0 HD12 LEU B 120 12.359 -7.683 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU B 120 11.752 -8.893 1.129 1.00 0.00 H new ATOM 0 HD21 LEU B 120 10.939 -6.889 3.262 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.855 -8.370 3.627 1.00 0.00 H new ATOM 0 HD23 LEU B 120 12.481 -6.787 4.146 1.00 0.00 H new ATOM 1754 N SER B 121 14.487 -6.983 -1.158 1.00 0.00 N ATOM 1755 CA SER B 121 14.018 -7.242 -2.489 1.00 0.00 C ATOM 1756 C SER B 121 15.157 -7.615 -3.427 1.00 0.00 C ATOM 1757 O SER B 121 15.242 -8.773 -3.879 1.00 0.00 O ATOM 1758 CB SER B 121 13.329 -5.963 -3.006 1.00 0.00 C ATOM 1759 OG SER B 121 12.916 -6.061 -4.364 1.00 0.00 O ATOM 0 H SER B 121 14.544 -5.992 -0.925 1.00 0.00 H new ATOM 0 HA SER B 121 13.326 -8.084 -2.463 1.00 0.00 H new ATOM 0 HB2 SER B 121 12.461 -5.748 -2.383 1.00 0.00 H new ATOM 0 HB3 SER B 121 14.013 -5.121 -2.900 1.00 0.00 H new ATOM 0 HG SER B 121 12.003 -6.416 -4.404 1.00 0.00 H new ATOM 1765 N HIS B 122 16.107 -6.681 -3.584 1.00 0.00 N ATOM 1766 CA HIS B 122 17.177 -6.742 -4.602 1.00 0.00 C ATOM 1767 C HIS B 122 16.569 -6.816 -6.032 1.00 0.00 C ATOM 1768 O HIS B 122 16.635 -5.857 -6.817 1.00 0.00 O ATOM 1769 CB HIS B 122 18.159 -7.913 -4.374 1.00 0.00 C ATOM 1770 CG HIS B 122 19.332 -7.879 -5.312 1.00 0.00 C ATOM 1771 ND1 HIS B 122 19.344 -8.461 -6.567 1.00 0.00 N ATOM 1772 CD2 HIS B 122 20.529 -7.268 -5.174 1.00 0.00 C ATOM 1773 CE1 HIS B 122 20.517 -8.182 -7.135 1.00 0.00 C ATOM 1774 NE2 HIS B 122 21.278 -7.457 -6.327 1.00 0.00 N ATOM 0 H HIS B 122 16.158 -5.847 -3.000 1.00 0.00 H new ATOM 0 HA HIS B 122 17.754 -5.822 -4.502 1.00 0.00 H new ATOM 0 HB2 HIS B 122 18.520 -7.883 -3.346 1.00 0.00 H new ATOM 0 HB3 HIS B 122 17.627 -8.857 -4.498 1.00 0.00 H new ATOM 0 HD1 HIS B 122 18.589 -9.007 -6.983 1.00 0.00 H new ATOM 0 HD2 HIS B 122 20.853 -6.718 -4.302 1.00 0.00 H new ATOM 0 HE1 HIS B 122 20.809 -8.504 -8.124 1.00 0.00 H new ATOM 1782 N SER B 123 15.970 -7.936 -6.324 1.00 0.00 N ATOM 1783 CA SER B 123 15.359 -8.218 -7.582 1.00 0.00 C ATOM 1784 C SER B 123 13.843 -8.033 -7.444 1.00 0.00 C ATOM 1785 O SER B 123 13.289 -8.236 -6.357 1.00 0.00 O ATOM 1786 CB SER B 123 15.709 -9.652 -7.965 1.00 0.00 C ATOM 1787 OG SER B 123 17.136 -9.825 -8.008 1.00 0.00 O ATOM 0 H SER B 123 15.894 -8.707 -5.660 1.00 0.00 H new ATOM 0 HA SER B 123 15.717 -7.545 -8.361 1.00 0.00 H new ATOM 0 HB2 SER B 123 15.274 -10.344 -7.244 1.00 0.00 H new ATOM 0 HB3 SER B 123 15.278 -9.891 -8.937 1.00 0.00 H new ATOM 0 HG SER B 123 17.346 -10.750 -8.253 1.00 0.00 H new ATOM 1793 N ASP B 124 13.181 -7.663 -8.515 1.00 0.00 N ATOM 1794 CA ASP B 124 11.749 -7.381 -8.454 1.00 0.00 C ATOM 1795 C ASP B 124 10.956 -8.546 -8.948 1.00 0.00 C ATOM 1796 O ASP B 124 11.201 -9.058 -10.039 1.00 0.00 O ATOM 1797 CB ASP B 124 11.369 -6.147 -9.277 1.00 0.00 C ATOM 1798 CG ASP B 124 12.029 -4.889 -8.803 1.00 0.00 C ATOM 1799 OD1 ASP B 124 11.473 -4.196 -7.941 1.00 0.00 O ATOM 1800 OD2 ASP B 124 13.123 -4.561 -9.296 1.00 0.00 O ATOM 0 H ASP B 124 13.599 -7.548 -9.438 1.00 0.00 H new ATOM 0 HA ASP B 124 11.518 -7.188 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP B 124 11.637 -6.318 -10.320 1.00 0.00 H new ATOM 0 HB3 ASP B 124 10.287 -6.016 -9.243 1.00 0.00 H new ATOM 1805 N GLY B 125 10.009 -8.969 -8.154 1.00 0.00 N ATOM 1806 CA GLY B 125 9.149 -10.054 -8.543 1.00 0.00 C ATOM 1807 C GLY B 125 7.945 -9.566 -9.310 1.00 0.00 C ATOM 1808 O GLY B 125 7.291 -10.337 -10.023 1.00 0.00 O ATOM 0 H GLY B 125 9.813 -8.578 -7.232 1.00 0.00 H new ATOM 0 HA2 GLY B 125 9.709 -10.760 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY B 125 8.820 -10.594 -7.655 1.00 0.00 H new ATOM 1812 N GLY B 126 7.656 -8.287 -9.166 1.00 0.00 N ATOM 1813 CA GLY B 126 6.513 -7.700 -9.822 1.00 0.00 C ATOM 1814 C GLY B 126 5.225 -8.076 -9.121 1.00 0.00 C ATOM 1815 O GLY B 126 5.244 -8.439 -7.940 1.00 0.00 O ATOM 0 H GLY B 126 8.200 -7.637 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY B 126 6.618 -6.615 -9.838 1.00 0.00 H new ATOM 0 HA3 GLY B 126 6.476 -8.032 -10.859 1.00 0.00 H new ATOM 1819 N GLY B 127 4.127 -8.000 -9.826 1.00 0.00 N ATOM 1820 CA GLY B 127 2.860 -8.352 -9.249 1.00 0.00 C ATOM 1821 C GLY B 127 1.738 -7.551 -9.846 1.00 0.00 C ATOM 1822 O GLY B 127 1.369 -6.504 -9.319 1.00 0.00 O ATOM 0 H GLY B 127 4.086 -7.698 -10.799 1.00 0.00 H new ATOM 0 HA2 GLY B 127 2.672 -9.414 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY B 127 2.892 -8.188 -8.172 1.00 0.00 H new ATOM 1826 N SER B 128 1.199 -8.029 -10.936 1.00 0.00 N ATOM 1827 CA SER B 128 0.119 -7.351 -11.608 1.00 0.00 C ATOM 1828 C SER B 128 -1.151 -7.415 -10.759 1.00 0.00 C ATOM 1829 O SER B 128 -1.599 -8.502 -10.369 1.00 0.00 O ATOM 1830 CB SER B 128 -0.089 -7.978 -12.980 1.00 0.00 C ATOM 1831 OG SER B 128 1.127 -7.926 -13.719 1.00 0.00 O ATOM 0 H SER B 128 1.494 -8.897 -11.383 1.00 0.00 H new ATOM 0 HA SER B 128 0.367 -6.299 -11.745 1.00 0.00 H new ATOM 0 HB2 SER B 128 -0.417 -9.012 -12.872 1.00 0.00 H new ATOM 0 HB3 SER B 128 -0.876 -7.448 -13.517 1.00 0.00 H new ATOM 0 HG SER B 128 0.991 -8.331 -14.601 1.00 0.00 H new ATOM 1837 N GLY B 129 -1.689 -6.260 -10.436 1.00 0.00 N ATOM 1838 CA GLY B 129 -2.858 -6.204 -9.615 1.00 0.00 C ATOM 1839 C GLY B 129 -4.040 -5.650 -10.356 1.00 0.00 C ATOM 1840 O GLY B 129 -4.088 -4.449 -10.656 1.00 0.00 O ATOM 0 H GLY B 129 -1.330 -5.353 -10.733 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -3.094 -7.204 -9.252 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -2.657 -5.586 -8.740 1.00 0.00 H new ATOM 1844 N GLY B 130 -4.979 -6.503 -10.653 1.00 0.00 N ATOM 1845 CA GLY B 130 -6.167 -6.100 -11.346 1.00 0.00 C ATOM 1846 C GLY B 130 -7.247 -7.133 -11.192 1.00 0.00 C ATOM 1847 O GLY B 130 -7.550 -7.562 -10.061 1.00 0.00 O ATOM 0 H GLY B 130 -4.942 -7.496 -10.421 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -6.514 -5.143 -10.957 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -5.945 -5.953 -12.403 1.00 0.00 H new ATOM 1851 N GLY B 131 -7.804 -7.562 -12.297 1.00 0.00 N ATOM 1852 CA GLY B 131 -8.837 -8.551 -12.260 1.00 0.00 C ATOM 1853 C GLY B 131 -10.154 -7.955 -11.835 1.00 0.00 C ATOM 1854 O GLY B 131 -10.462 -6.805 -12.170 1.00 0.00 O ATOM 0 H GLY B 131 -7.555 -7.238 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -8.943 -9.006 -13.245 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -8.556 -9.347 -11.570 1.00 0.00 H new ATOM 1858 N SER B 132 -10.908 -8.702 -11.071 1.00 0.00 N ATOM 1859 CA SER B 132 -12.201 -8.274 -10.618 1.00 0.00 C ATOM 1860 C SER B 132 -12.563 -8.972 -9.306 1.00 0.00 C ATOM 1861 O SER B 132 -12.472 -10.196 -9.211 1.00 0.00 O ATOM 1862 CB SER B 132 -13.237 -8.567 -11.716 1.00 0.00 C ATOM 1863 OG SER B 132 -13.083 -9.897 -12.224 1.00 0.00 O ATOM 0 H SER B 132 -10.638 -9.630 -10.745 1.00 0.00 H new ATOM 0 HA SER B 132 -12.190 -7.202 -10.423 1.00 0.00 H new ATOM 0 HB2 SER B 132 -14.243 -8.441 -11.315 1.00 0.00 H new ATOM 0 HB3 SER B 132 -13.125 -7.848 -12.528 1.00 0.00 H new ATOM 0 HG SER B 132 -12.803 -10.494 -11.499 1.00 0.00 H new ATOM 1869 N GLY B 133 -12.913 -8.200 -8.290 1.00 0.00 N ATOM 1870 CA GLY B 133 -13.307 -8.797 -7.025 1.00 0.00 C ATOM 1871 C GLY B 133 -14.777 -9.164 -7.015 1.00 0.00 C ATOM 1872 O GLY B 133 -15.120 -10.349 -7.028 1.00 0.00 O ATOM 0 H GLY B 133 -12.933 -7.180 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -12.708 -9.689 -6.840 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -13.100 -8.100 -6.213 1.00 0.00 H new ATOM 1876 N GLY B 134 -15.648 -8.168 -6.993 1.00 0.00 N ATOM 1877 CA GLY B 134 -17.066 -8.445 -7.048 1.00 0.00 C ATOM 1878 C GLY B 134 -17.797 -7.969 -5.816 1.00 0.00 C ATOM 1879 O GLY B 134 -18.446 -8.769 -5.111 1.00 0.00 O ATOM 0 H GLY B 134 -15.401 -7.180 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -17.493 -7.964 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -17.219 -9.518 -7.165 1.00 0.00 H new ATOM 1883 N GLY B 135 -17.672 -6.703 -5.534 1.00 0.00 N ATOM 1884 CA GLY B 135 -18.341 -6.119 -4.420 1.00 0.00 C ATOM 1885 C GLY B 135 -18.777 -4.696 -4.688 1.00 0.00 C ATOM 1886 O GLY B 135 -19.926 -4.332 -4.391 1.00 0.00 O ATOM 0 H GLY B 135 -17.102 -6.052 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -19.213 -6.722 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -17.680 -6.136 -3.553 1.00 0.00 H new ATOM 1890 N SER B 136 -17.873 -3.882 -5.239 1.00 0.00 N ATOM 1891 CA SER B 136 -18.183 -2.491 -5.529 1.00 0.00 C ATOM 1892 C SER B 136 -17.215 -1.861 -6.559 1.00 0.00 C ATOM 1893 O SER B 136 -17.526 -1.775 -7.754 1.00 0.00 O ATOM 1894 CB SER B 136 -18.218 -1.668 -4.222 1.00 0.00 C ATOM 1895 OG SER B 136 -17.025 -1.865 -3.464 1.00 0.00 O ATOM 0 H SER B 136 -16.926 -4.166 -5.490 1.00 0.00 H new ATOM 0 HA SER B 136 -19.171 -2.471 -5.989 1.00 0.00 H new ATOM 0 HB2 SER B 136 -18.334 -0.610 -4.457 1.00 0.00 H new ATOM 0 HB3 SER B 136 -19.084 -1.959 -3.627 1.00 0.00 H new ATOM 0 HG SER B 136 -17.070 -2.727 -3.001 1.00 0.00 H new ATOM 1901 N LEU B 137 -16.047 -1.457 -6.100 1.00 0.00 N ATOM 1902 CA LEU B 137 -15.083 -0.745 -6.944 1.00 0.00 C ATOM 1903 C LEU B 137 -14.114 -1.705 -7.598 1.00 0.00 C ATOM 1904 O LEU B 137 -13.770 -1.567 -8.760 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.273 0.253 -6.093 1.00 0.00 C ATOM 1906 CG LEU B 137 -15.053 1.263 -5.274 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -14.084 2.085 -4.453 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.894 2.160 -6.173 1.00 0.00 C ATOM 0 H LEU B 137 -15.733 -1.607 -5.141 1.00 0.00 H new ATOM 0 HA LEU B 137 -15.647 -0.220 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.643 -0.319 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -13.607 0.801 -6.759 1.00 0.00 H new ATOM 0 HG LEU B 137 -15.736 0.735 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -14.637 2.814 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -13.522 1.429 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -13.394 2.605 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -16.444 2.875 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -15.243 2.697 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.598 1.550 -6.739 1.00 0.00 H new ATOM 1920 N GLU B 138 -13.752 -2.712 -6.861 1.00 0.00 N ATOM 1921 CA GLU B 138 -12.677 -3.643 -7.210 1.00 0.00 C ATOM 1922 C GLU B 138 -12.973 -4.527 -8.432 1.00 0.00 C ATOM 1923 O GLU B 138 -12.077 -5.216 -8.937 1.00 0.00 O ATOM 1924 CB GLU B 138 -12.311 -4.510 -5.995 1.00 0.00 C ATOM 1925 CG GLU B 138 -13.340 -5.574 -5.619 1.00 0.00 C ATOM 1926 CD GLU B 138 -14.735 -5.049 -5.490 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -15.012 -4.266 -4.589 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -15.559 -5.361 -6.353 1.00 0.00 O ATOM 0 H GLU B 138 -14.199 -2.930 -5.970 1.00 0.00 H new ATOM 0 HA GLU B 138 -11.828 -3.023 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -11.359 -5.003 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -12.158 -3.857 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -13.327 -6.361 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -13.046 -6.032 -4.675 1.00 0.00 H new ATOM 1935 N CYS B 139 -14.204 -4.558 -8.866 1.00 0.00 N ATOM 1936 CA CYS B 139 -14.570 -5.378 -9.981 1.00 0.00 C ATOM 1937 C CYS B 139 -14.051 -4.772 -11.297 1.00 0.00 C ATOM 1938 O CYS B 139 -13.591 -5.491 -12.177 1.00 0.00 O ATOM 1939 CB CYS B 139 -16.085 -5.613 -10.006 1.00 0.00 C ATOM 1940 SG CYS B 139 -16.642 -6.816 -11.233 1.00 0.00 S ATOM 0 H CYS B 139 -14.971 -4.021 -8.460 1.00 0.00 H new ATOM 0 HA CYS B 139 -14.096 -6.353 -9.870 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -16.403 -5.947 -9.019 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -16.583 -4.663 -10.197 1.00 0.00 H new ATOM 0 HG CYS B 139 -17.935 -6.938 -11.166 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.067 -3.462 -11.400 1.00 0.00 N ATOM 1947 CA ASP B 140 -13.605 -2.801 -12.609 1.00 0.00 C ATOM 1948 C ASP B 140 -12.727 -1.608 -12.271 1.00 0.00 C ATOM 1949 O ASP B 140 -13.157 -0.452 -12.327 1.00 0.00 O ATOM 1950 CB ASP B 140 -14.784 -2.400 -13.525 1.00 0.00 C ATOM 1951 CG ASP B 140 -14.345 -1.711 -14.805 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -13.619 -2.324 -15.597 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -14.747 -0.547 -15.050 1.00 0.00 O ATOM 0 H ASP B 140 -14.393 -2.832 -10.667 1.00 0.00 H new ATOM 0 HA ASP B 140 -12.998 -3.514 -13.167 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.357 -3.292 -13.779 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -15.453 -1.738 -12.975 1.00 0.00 H new ATOM 1958 N MET B 141 -11.554 -1.902 -11.770 1.00 0.00 N ATOM 1959 CA MET B 141 -10.580 -0.873 -11.457 1.00 0.00 C ATOM 1960 C MET B 141 -9.487 -0.791 -12.475 1.00 0.00 C ATOM 1961 O MET B 141 -9.220 0.276 -12.967 1.00 0.00 O ATOM 1962 CB MET B 141 -9.940 -1.055 -10.102 1.00 0.00 C ATOM 1963 CG MET B 141 -10.834 -0.853 -8.925 1.00 0.00 C ATOM 1964 SD MET B 141 -9.936 -0.966 -7.371 1.00 0.00 S ATOM 1965 CE MET B 141 -9.199 -2.600 -7.490 1.00 0.00 C ATOM 0 H MET B 141 -11.243 -2.852 -11.567 1.00 0.00 H new ATOM 0 HA MET B 141 -11.157 0.052 -11.459 1.00 0.00 H new ATOM 0 HB2 MET B 141 -9.526 -2.062 -10.050 1.00 0.00 H new ATOM 0 HB3 MET B 141 -9.103 -0.361 -10.021 1.00 0.00 H new ATOM 0 HG2 MET B 141 -11.313 0.123 -8.997 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.628 -1.600 -8.940 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.185 -3.065 -6.504 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.785 -3.215 -8.173 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.179 -2.513 -7.865 1.00 0.00 H new ATOM 1975 N GLU B 142 -8.830 -1.945 -12.700 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.631 -2.158 -13.562 1.00 0.00 C ATOM 1977 C GLU B 142 -6.940 -0.904 -14.126 1.00 0.00 C ATOM 1978 O GLU B 142 -5.874 -0.519 -13.647 1.00 0.00 O ATOM 1979 CB GLU B 142 -7.854 -3.216 -14.643 1.00 0.00 C ATOM 1980 CG GLU B 142 -8.275 -4.560 -14.085 1.00 0.00 C ATOM 1981 CD GLU B 142 -8.168 -5.671 -15.093 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -8.943 -5.689 -16.069 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -7.316 -6.565 -14.909 1.00 0.00 O ATOM 0 H GLU B 142 -9.134 -2.814 -12.261 1.00 0.00 H new ATOM 0 HA GLU B 142 -6.906 -2.543 -12.844 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.617 -2.863 -15.336 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -6.935 -3.340 -15.216 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -7.655 -4.799 -13.221 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -9.304 -4.495 -13.731 1.00 0.00 H new ATOM 1990 N SER B 143 -7.548 -0.267 -15.099 1.00 0.00 N ATOM 1991 CA SER B 143 -6.950 0.875 -15.767 1.00 0.00 C ATOM 1992 C SER B 143 -6.906 2.110 -14.849 1.00 0.00 C ATOM 1993 O SER B 143 -5.869 2.803 -14.732 1.00 0.00 O ATOM 1994 CB SER B 143 -7.732 1.144 -17.042 1.00 0.00 C ATOM 1995 OG SER B 143 -9.128 1.075 -16.773 1.00 0.00 O ATOM 0 H SER B 143 -8.470 -0.522 -15.453 1.00 0.00 H new ATOM 0 HA SER B 143 -5.913 0.652 -16.018 1.00 0.00 H new ATOM 0 HB2 SER B 143 -7.476 2.128 -17.436 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.463 0.415 -17.806 1.00 0.00 H new ATOM 0 HG SER B 143 -9.629 1.251 -17.597 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.018 2.344 -14.173 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.173 3.439 -13.246 1.00 0.00 C ATOM 2003 C ILE B 144 -7.191 3.274 -12.114 1.00 0.00 C ATOM 2004 O ILE B 144 -6.383 4.148 -11.874 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.617 3.503 -12.655 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.654 3.667 -13.777 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.742 4.643 -11.633 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -12.094 3.678 -13.292 1.00 0.00 C ATOM 0 H ILE B 144 -8.852 1.763 -14.259 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.987 4.365 -13.791 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.813 2.563 -12.139 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.454 4.597 -14.309 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.529 2.856 -14.494 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.757 4.666 -11.236 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.037 4.480 -10.818 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.521 5.593 -12.119 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.764 3.797 -14.144 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -12.315 2.738 -12.786 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -12.238 4.506 -12.598 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.212 2.109 -11.473 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.350 1.880 -10.314 1.00 0.00 C ATOM 2022 C ILE B 145 -4.870 1.911 -10.692 1.00 0.00 C ATOM 2023 O ILE B 145 -4.032 2.313 -9.895 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.693 0.588 -9.510 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.895 0.560 -8.202 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.418 -0.675 -10.329 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.222 -0.591 -7.295 1.00 0.00 C ATOM 0 H ILE B 145 -7.805 1.320 -11.729 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.554 2.714 -9.642 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.759 0.606 -9.282 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.832 0.527 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -6.072 1.491 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.669 -1.555 -9.736 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.026 -0.662 -11.234 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.363 -0.710 -10.601 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.610 -0.530 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.276 -0.550 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.017 -1.530 -7.810 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.550 1.500 -11.905 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.178 1.542 -12.359 1.00 0.00 C ATOM 2041 C ARG B 146 -2.700 2.990 -12.402 1.00 0.00 C ATOM 2042 O ARG B 146 -1.718 3.348 -11.761 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.023 0.912 -13.736 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.576 0.723 -14.136 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.445 0.183 -15.531 1.00 0.00 C ATOM 2046 NE ARG B 146 -0.068 -0.227 -15.818 1.00 0.00 N ATOM 2047 CZ ARG B 146 0.680 0.186 -16.840 1.00 0.00 C ATOM 2048 NH1 ARG B 146 0.300 1.213 -17.577 1.00 0.00 N ATOM 2049 NH2 ARG B 146 1.847 -0.398 -17.075 1.00 0.00 N ATOM 0 H ARG B 146 -5.217 1.137 -12.586 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.573 0.968 -11.657 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.527 -0.054 -13.747 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.520 1.540 -14.475 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.053 1.677 -14.066 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -1.092 0.041 -13.436 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -2.114 -0.668 -15.658 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.757 0.943 -16.248 1.00 0.00 H new ATOM 0 HE ARG B 146 0.359 -0.892 -15.173 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.573 1.697 -17.366 1.00 0.00 H new ATOM 0 HH12 ARG B 146 0.879 1.522 -18.358 1.00 0.00 H new ATOM 0 HH21 ARG B 146 2.167 -1.158 -16.475 1.00 0.00 H new ATOM 0 HH22 ARG B 146 2.425 -0.087 -17.856 1.00 0.00 H new ATOM 2063 N SER B 147 -3.433 3.820 -13.102 1.00 0.00 N ATOM 2064 CA SER B 147 -3.081 5.212 -13.244 1.00 0.00 C ATOM 2065 C SER B 147 -3.198 5.959 -11.896 1.00 0.00 C ATOM 2066 O SER B 147 -2.313 6.738 -11.523 1.00 0.00 O ATOM 2067 CB SER B 147 -3.964 5.855 -14.334 1.00 0.00 C ATOM 2068 OG SER B 147 -3.728 7.251 -14.470 1.00 0.00 O ATOM 0 H SER B 147 -4.288 3.551 -13.588 1.00 0.00 H new ATOM 0 HA SER B 147 -2.038 5.288 -13.553 1.00 0.00 H new ATOM 0 HB2 SER B 147 -3.775 5.363 -15.288 1.00 0.00 H new ATOM 0 HB3 SER B 147 -5.014 5.689 -14.092 1.00 0.00 H new ATOM 0 HG SER B 147 -4.308 7.614 -15.172 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.239 5.670 -11.164 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.553 6.354 -9.931 1.00 0.00 C ATOM 2076 C GLU B 148 -3.736 5.878 -8.723 1.00 0.00 C ATOM 2077 O GLU B 148 -3.093 6.691 -8.051 1.00 0.00 O ATOM 2078 CB GLU B 148 -6.054 6.265 -9.684 1.00 0.00 C ATOM 2079 CG GLU B 148 -6.521 6.762 -8.351 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.997 6.946 -8.331 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.734 5.956 -8.291 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -8.449 8.110 -8.349 1.00 0.00 O ATOM 0 H GLU B 148 -4.908 4.940 -11.409 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.262 7.398 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.566 6.831 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.361 5.225 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -6.230 6.055 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -6.031 7.708 -8.121 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.744 4.602 -8.457 1.00 0.00 N ATOM 2090 CA LEU B 149 -3.077 4.077 -7.286 1.00 0.00 C ATOM 2091 C LEU B 149 -1.702 3.509 -7.613 1.00 0.00 C ATOM 2092 O LEU B 149 -0.927 3.193 -6.719 1.00 0.00 O ATOM 2093 CB LEU B 149 -4.017 3.105 -6.529 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.511 2.462 -5.224 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -4.661 2.161 -4.305 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -2.835 1.170 -5.515 1.00 0.00 C ATOM 0 H LEU B 149 -4.205 3.899 -9.034 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.865 4.895 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.936 3.644 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -4.283 2.300 -7.214 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.821 3.166 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -4.285 1.707 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -5.185 3.086 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -5.348 1.472 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -2.482 0.726 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -3.539 0.491 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.988 1.344 -6.178 1.00 0.00 H new ATOM 2108 N MET B 150 -1.407 3.384 -8.900 1.00 0.00 N ATOM 2109 CA MET B 150 -0.093 2.982 -9.379 1.00 0.00 C ATOM 2110 C MET B 150 0.112 1.445 -9.336 1.00 0.00 C ATOM 2111 O MET B 150 -0.511 0.717 -8.531 1.00 0.00 O ATOM 2112 CB MET B 150 1.029 3.818 -8.700 1.00 0.00 C ATOM 2113 CG MET B 150 2.369 3.698 -9.354 1.00 0.00 C ATOM 2114 SD MET B 150 3.541 4.923 -8.767 1.00 0.00 S ATOM 2115 CE MET B 150 4.949 4.457 -9.755 1.00 0.00 C ATOM 0 H MET B 150 -2.079 3.560 -9.647 1.00 0.00 H new ATOM 0 HA MET B 150 -0.027 3.219 -10.441 1.00 0.00 H new ATOM 0 HB2 MET B 150 0.732 4.867 -8.696 1.00 0.00 H new ATOM 0 HB3 MET B 150 1.117 3.508 -7.659 1.00 0.00 H new ATOM 0 HG2 MET B 150 2.770 2.701 -9.171 1.00 0.00 H new ATOM 0 HG3 MET B 150 2.252 3.801 -10.433 1.00 0.00 H new ATOM 0 HE1 MET B 150 5.788 5.115 -9.526 1.00 0.00 H new ATOM 0 HE2 MET B 150 5.225 3.426 -9.532 1.00 0.00 H new ATOM 0 HE3 MET B 150 4.697 4.545 -10.812 1.00 0.00 H new ATOM 2125 N ASP B 151 0.941 0.947 -10.228 1.00 0.00 N ATOM 2126 CA ASP B 151 1.161 -0.487 -10.389 1.00 0.00 C ATOM 2127 C ASP B 151 2.625 -0.679 -10.789 1.00 0.00 C ATOM 2128 O ASP B 151 3.384 0.299 -10.776 1.00 0.00 O ATOM 2129 CB ASP B 151 0.214 -1.009 -11.492 1.00 0.00 C ATOM 2130 CG ASP B 151 0.025 -2.519 -11.513 1.00 0.00 C ATOM 2131 OD1 ASP B 151 0.779 -3.228 -12.197 1.00 0.00 O ATOM 2132 OD2 ASP B 151 -0.935 -3.005 -10.872 1.00 0.00 O ATOM 0 H ASP B 151 1.487 1.523 -10.869 1.00 0.00 H new ATOM 0 HA ASP B 151 0.956 -1.038 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP B 151 -0.761 -0.537 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP B 151 0.599 -0.692 -12.461 1.00 0.00 H new ATOM 2137 N ALA B 152 3.020 -1.876 -11.154 1.00 0.00 N ATOM 2138 CA ALA B 152 4.394 -2.151 -11.507 1.00 0.00 C ATOM 2139 C ALA B 152 4.438 -2.873 -12.843 1.00 0.00 C ATOM 2140 O ALA B 152 4.571 -4.107 -12.867 1.00 0.00 O ATOM 2141 CB ALA B 152 5.062 -2.980 -10.414 1.00 0.00 C ATOM 2142 OXT ALA B 152 4.250 -2.211 -13.885 1.00 0.00 O ATOM 0 H ALA B 152 2.401 -2.684 -11.215 1.00 0.00 H new ATOM 0 HA ALA B 152 4.942 -1.213 -11.599 1.00 0.00 H new ATOM 0 HB1 ALA B 152 6.097 -3.181 -10.691 1.00 0.00 H new ATOM 0 HB2 ALA B 152 5.038 -2.429 -9.474 1.00 0.00 H new ATOM 0 HB3 ALA B 152 4.528 -3.923 -10.295 1.00 0.00 H new TER 2148 ALA B 152