USER MOD reduce.3.24.130724 H: found=0, std=0, add=1375, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1375 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 50 TYR OH : rot 39:sc= 1.57 USER MOD Set 1.2: A 54 GLN : amide:sc= -0.123 K(o=2.1,f=0.35) USER MOD Set 1.3: A 99 LYS NZ :NH3+ -170:sc= 0.641 (180deg=0.142) USER MOD Set 2.1: A 52 GLN : amide:sc= 0.0979 K(o=-2.2,f=-8.9!) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -132:sc= -2.28! (180deg=-3.58!) USER MOD Set 3.1: A 12 MET CE :methyl -156:sc= -0.138 (180deg=-0.707) USER MOD Set 3.2: A 15 THR OG1 : rot -40:sc= 0.646 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= -0.027 (180deg=-0.202) USER MOD Single : A 6 GLN : amide:sc= -1.25 K(o=-1.2,f=-6.1!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 10 HIS :FLIP no HE2:sc= -0.0196 F(o=-0.69,f=-0.02) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.267 F(o=-3.5!,f=-0.27) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -2:sc= 0.901 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 39:sc= 1.27 USER MOD Single : A 31 ASN : amide:sc= -0.0762 X(o=-0.076,f=-0.046) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.505) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= -0.016 (180deg=-0.15) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 106:sc= 1.49 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-7.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -81:sc= 0.223 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 140:sc= -0.159 (180deg=-0.8) USER MOD Single : A 77 MET CE :methyl -175:sc= -0.468 (180deg=-0.537) USER MOD Single : A 82 SER OG : rot 100:sc= 1.2 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.959) USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00576) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= -0.649 (180deg=-2.13!) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 97 MET CE :methyl -164:sc= 0 (180deg=-0.263) USER MOD Single : A 104 LYS NZ :NH3+ 147:sc= 1.49 (180deg=1.1) USER MOD Single : A 107 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.74) USER MOD Single : A 108 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.4!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-6.3!) USER MOD Single : A 127 THR OG1 : rot -30:sc= 0.188 USER MOD Single : A 129 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.63) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 165:sc= -0.0495 (180deg=-0.322) USER MOD Single : A 143 ASN : amide:sc= -2.25! C(o=-2.3!,f=-4.2!) USER MOD Single : A 147 TYR OH : rot -141:sc= 1.28 USER MOD Single : A 150 MET CE :methyl -175:sc= -2.63! (180deg=-2.91!) USER MOD Single : A 155 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.39) USER MOD Single : A 160 LYS NZ :NH3+ 163:sc= -0.311 (180deg=-0.914) USER MOD Single : A 163 HIS :FLIP no HE2:sc= 0.223 F(o=-0.79,f=0.22) USER MOD Single : A 164 HIS : no HE2:sc= -0.354 K(o=-0.35,f=-2.9!) USER MOD Single : A 165 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.9!) USER MOD Single : A 166 HIS :FLIP no HD1:sc= -0.109 F(o=-0.62,f=-0.11) USER MOD Single : A 167 HIS : no HD1:sc= 1.03 K(o=1,f=-3.6!) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.543 12.622 15.590 1.00 0.00 N ATOM 2 CA MET A 1 10.468 12.261 14.633 1.00 0.00 C ATOM 3 C MET A 1 10.081 10.795 14.793 1.00 0.00 C ATOM 4 O MET A 1 10.925 9.958 15.112 1.00 0.00 O ATOM 5 CB MET A 1 10.912 12.546 13.190 1.00 0.00 C ATOM 6 CG MET A 1 12.196 11.846 12.775 1.00 0.00 C ATOM 7 SD MET A 1 12.733 12.325 11.122 1.00 0.00 S ATOM 8 CE MET A 1 14.238 11.369 10.961 1.00 0.00 C ATOM 0 H1 MET A 1 12.143 13.363 15.175 1.00 0.00 H new ATOM 0 H2 MET A 1 11.119 12.973 16.472 1.00 0.00 H new ATOM 0 H3 MET A 1 12.122 11.783 15.795 1.00 0.00 H new ATOM 0 HA MET A 1 9.594 12.874 14.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.114 12.245 12.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.044 13.621 13.070 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.983 12.080 13.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.046 10.767 12.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.688 11.560 9.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.938 11.657 11.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.006 10.308 11.052 1.00 0.00 H new ATOM 20 N PRO A 2 8.796 10.468 14.587 1.00 0.00 N ATOM 21 CA PRO A 2 8.289 9.109 14.756 1.00 0.00 C ATOM 22 C PRO A 2 8.490 8.242 13.514 1.00 0.00 C ATOM 23 O PRO A 2 7.795 8.401 12.510 1.00 0.00 O ATOM 24 CB PRO A 2 6.802 9.336 15.022 1.00 0.00 C ATOM 25 CG PRO A 2 6.463 10.577 14.258 1.00 0.00 C ATOM 26 CD PRO A 2 7.726 11.402 14.180 1.00 0.00 C ATOM 0 HA PRO A 2 8.809 8.571 15.549 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.206 8.488 14.685 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.605 9.461 16.087 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.101 10.330 13.260 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.669 11.133 14.756 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.892 11.782 13.172 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.679 12.266 14.843 1.00 0.00 H new ATOM 34 N VAL A 3 9.450 7.331 13.581 1.00 0.00 N ATOM 35 CA VAL A 3 9.698 6.414 12.482 1.00 0.00 C ATOM 36 C VAL A 3 9.962 5.002 12.999 1.00 0.00 C ATOM 37 O VAL A 3 9.164 4.096 12.773 1.00 0.00 O ATOM 38 CB VAL A 3 10.848 6.914 11.562 1.00 0.00 C ATOM 39 CG1 VAL A 3 12.082 7.319 12.359 1.00 0.00 C ATOM 40 CG2 VAL A 3 11.202 5.863 10.523 1.00 0.00 C ATOM 0 H VAL A 3 10.068 7.208 14.383 1.00 0.00 H new ATOM 0 HA VAL A 3 8.797 6.380 11.870 1.00 0.00 H new ATOM 0 HB VAL A 3 10.486 7.805 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.860 7.662 11.676 1.00 0.00 H new ATOM 0 HG12 VAL A 3 11.823 8.124 13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.447 6.462 12.924 1.00 0.00 H new ATOM 0 HG21 VAL A 3 12.008 6.234 9.890 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.524 4.950 11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.327 5.650 9.908 1.00 0.00 H new ATOM 50 N ARG A 4 11.068 4.841 13.708 1.00 0.00 N ATOM 51 CA ARG A 4 11.450 3.561 14.314 1.00 0.00 C ATOM 52 C ARG A 4 11.546 2.441 13.260 1.00 0.00 C ATOM 53 O ARG A 4 11.429 1.254 13.564 1.00 0.00 O ATOM 54 CB ARG A 4 10.461 3.225 15.451 1.00 0.00 C ATOM 55 CG ARG A 4 10.730 1.921 16.201 1.00 0.00 C ATOM 56 CD ARG A 4 12.206 1.704 16.512 1.00 0.00 C ATOM 57 NE ARG A 4 12.781 2.766 17.333 1.00 0.00 N ATOM 58 CZ ARG A 4 13.238 2.577 18.568 1.00 0.00 C ATOM 59 NH1 ARG A 4 13.068 1.407 19.172 1.00 0.00 N ATOM 60 NH2 ARG A 4 13.851 3.562 19.210 1.00 0.00 N ATOM 0 H ARG A 4 11.734 5.594 13.884 1.00 0.00 H new ATOM 0 HA ARG A 4 12.448 3.646 14.743 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.471 4.044 16.170 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.456 3.181 15.032 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.165 1.922 17.133 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.363 1.084 15.606 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.326 0.750 17.026 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.762 1.635 15.577 1.00 0.00 H new ATOM 0 HE ARG A 4 12.835 3.705 16.938 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.586 0.649 18.689 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.420 1.266 20.119 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.973 4.468 18.757 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.200 3.414 20.157 1.00 0.00 H new ATOM 74 N ALA A 5 11.807 2.822 12.017 1.00 0.00 N ATOM 75 CA ALA A 5 12.049 1.842 10.973 1.00 0.00 C ATOM 76 C ALA A 5 13.381 1.153 11.233 1.00 0.00 C ATOM 77 O ALA A 5 14.400 1.817 11.441 1.00 0.00 O ATOM 78 CB ALA A 5 12.040 2.496 9.601 1.00 0.00 C ATOM 0 H ALA A 5 11.856 3.794 11.711 1.00 0.00 H new ATOM 0 HA ALA A 5 11.250 1.100 10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 5 12.224 1.741 8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 5 11.070 2.961 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 5 12.820 3.256 9.555 1.00 0.00 H new ATOM 84 N GLN A 6 13.367 -0.171 11.247 1.00 0.00 N ATOM 85 CA GLN A 6 14.561 -0.944 11.567 1.00 0.00 C ATOM 86 C GLN A 6 15.629 -0.763 10.498 1.00 0.00 C ATOM 87 O GLN A 6 16.808 -0.602 10.811 1.00 0.00 O ATOM 88 CB GLN A 6 14.211 -2.424 11.729 1.00 0.00 C ATOM 89 CG GLN A 6 13.091 -2.686 12.730 1.00 0.00 C ATOM 90 CD GLN A 6 13.453 -2.321 14.160 1.00 0.00 C ATOM 91 OE1 GLN A 6 14.255 -1.420 14.413 1.00 0.00 O ATOM 92 NE2 GLN A 6 12.851 -3.014 15.111 1.00 0.00 N ATOM 0 H GLN A 6 12.542 -0.735 11.041 1.00 0.00 H new ATOM 0 HA GLN A 6 14.961 -0.575 12.511 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.920 -2.827 10.759 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.102 -2.966 12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 6 12.209 -2.119 12.432 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.820 -3.741 12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 6 12.193 -3.753 14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.045 -2.810 16.091 1.00 0.00 H new ATOM 101 N ARG A 7 15.190 -0.771 9.240 1.00 0.00 N ATOM 102 CA ARG A 7 16.072 -0.582 8.082 1.00 0.00 C ATOM 103 C ARG A 7 17.078 -1.726 7.951 1.00 0.00 C ATOM 104 O ARG A 7 17.194 -2.577 8.833 1.00 0.00 O ATOM 105 CB ARG A 7 16.830 0.751 8.169 1.00 0.00 C ATOM 106 CG ARG A 7 15.945 1.964 8.408 1.00 0.00 C ATOM 107 CD ARG A 7 16.776 3.231 8.531 1.00 0.00 C ATOM 108 NE ARG A 7 15.978 4.382 8.950 1.00 0.00 N ATOM 109 CZ ARG A 7 16.221 5.633 8.567 1.00 0.00 C ATOM 110 NH1 ARG A 7 17.220 5.893 7.732 1.00 0.00 N ATOM 111 NH2 ARG A 7 15.467 6.623 9.027 1.00 0.00 N ATOM 0 H ARG A 7 14.210 -0.909 8.991 1.00 0.00 H new ATOM 0 HA ARG A 7 15.432 -0.571 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 7 17.562 0.687 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 7 17.386 0.899 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.236 2.068 7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.361 1.819 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 7 17.579 3.068 9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.247 3.448 7.572 1.00 0.00 H new ATOM 0 HE ARG A 7 15.188 4.216 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.803 5.133 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.404 6.853 7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.703 6.424 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.651 7.583 8.735 1.00 0.00 H new ATOM 125 N ILE A 8 17.796 -1.743 6.837 1.00 0.00 N ATOM 126 CA ILE A 8 18.859 -2.713 6.614 1.00 0.00 C ATOM 127 C ILE A 8 20.078 -2.015 6.028 1.00 0.00 C ATOM 128 O ILE A 8 19.945 -0.997 5.346 1.00 0.00 O ATOM 129 CB ILE A 8 18.425 -3.854 5.661 1.00 0.00 C ATOM 130 CG1 ILE A 8 17.872 -3.281 4.351 1.00 0.00 C ATOM 131 CG2 ILE A 8 17.400 -4.760 6.333 1.00 0.00 C ATOM 132 CD1 ILE A 8 17.494 -4.338 3.333 1.00 0.00 C ATOM 0 H ILE A 8 17.660 -1.089 6.066 1.00 0.00 H new ATOM 0 HA ILE A 8 19.098 -3.156 7.581 1.00 0.00 H new ATOM 0 HB ILE A 8 19.303 -4.456 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.995 -2.673 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.617 -2.617 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 8 17.110 -5.554 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 8 17.835 -5.199 7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.521 -4.176 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.111 -3.856 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 8 18.373 -4.931 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.726 -4.988 3.752 1.00 0.00 H new ATOM 144 N GLN A 9 21.260 -2.546 6.309 1.00 0.00 N ATOM 145 CA GLN A 9 22.488 -1.989 5.752 1.00 0.00 C ATOM 146 C GLN A 9 22.591 -2.323 4.270 1.00 0.00 C ATOM 147 O GLN A 9 23.022 -1.502 3.462 1.00 0.00 O ATOM 148 CB GLN A 9 23.721 -2.521 6.489 1.00 0.00 C ATOM 149 CG GLN A 9 23.799 -2.094 7.945 1.00 0.00 C ATOM 150 CD GLN A 9 25.087 -2.535 8.611 1.00 0.00 C ATOM 151 OE1 GLN A 9 25.667 -3.562 8.258 1.00 0.00 O ATOM 152 NE2 GLN A 9 25.549 -1.757 9.574 1.00 0.00 N ATOM 0 H GLN A 9 21.396 -3.356 6.914 1.00 0.00 H new ATOM 0 HA GLN A 9 22.453 -0.907 5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 9 23.720 -3.610 6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 9 24.617 -2.179 5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 9 23.715 -1.009 8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.951 -2.511 8.489 1.00 0.00 H new ATOM 0 HE21 GLN A 9 25.039 -0.914 9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 9 26.416 -1.999 10.054 1.00 0.00 H new ATOM 161 N HIS A 10 22.180 -3.535 3.926 1.00 0.00 N ATOM 162 CA HIS A 10 22.198 -3.997 2.546 1.00 0.00 C ATOM 163 C HIS A 10 21.353 -5.250 2.410 1.00 0.00 C ATOM 164 O HIS A 10 20.908 -5.814 3.411 1.00 0.00 O ATOM 165 CB HIS A 10 23.636 -4.276 2.065 1.00 0.00 C ATOM 166 CG HIS A 10 24.392 -5.297 2.872 1.00 0.00 C ATOM 167 ND1 HIS A 10 24.126 -6.598 3.144 1.00 0.00 N flip ATOM 168 CD2 HIS A 10 25.597 -5.024 3.478 1.00 0.00 C flip ATOM 169 CE1 HIS A 10 25.161 -7.076 3.902 1.00 0.00 C flip ATOM 170 NE2 HIS A 10 26.036 -6.108 4.090 1.00 0.00 N flip ATOM 0 H HIS A 10 21.827 -4.222 4.592 1.00 0.00 H new ATOM 0 HA HIS A 10 21.782 -3.208 1.920 1.00 0.00 H new ATOM 0 HB2 HIS A 10 23.597 -4.611 1.028 1.00 0.00 H new ATOM 0 HB3 HIS A 10 24.195 -3.340 2.077 1.00 0.00 H new ATOM 0 HD1 HIS A 10 23.306 -7.124 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 10 26.105 -4.071 3.456 1.00 0.00 H new ATOM 0 HE1 HIS A 10 25.247 -8.083 4.284 1.00 0.00 H new ATOM 179 N VAL A 11 21.138 -5.682 1.182 1.00 0.00 N ATOM 180 CA VAL A 11 20.435 -6.930 0.933 1.00 0.00 C ATOM 181 C VAL A 11 21.433 -8.068 0.783 1.00 0.00 C ATOM 182 O VAL A 11 22.641 -7.845 0.777 1.00 0.00 O ATOM 183 CB VAL A 11 19.550 -6.860 -0.326 1.00 0.00 C ATOM 184 CG1 VAL A 11 18.490 -5.783 -0.173 1.00 0.00 C ATOM 185 CG2 VAL A 11 20.393 -6.615 -1.568 1.00 0.00 C ATOM 0 H VAL A 11 21.439 -5.189 0.341 1.00 0.00 H new ATOM 0 HA VAL A 11 19.785 -7.109 1.789 1.00 0.00 H new ATOM 0 HB VAL A 11 19.048 -7.820 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 11 17.874 -5.748 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.862 -6.010 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 11 18.972 -4.817 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 11 19.746 -6.570 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 11 20.929 -5.672 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 11 21.109 -7.428 -1.688 1.00 0.00 H new ATOM 195 N MET A 12 20.929 -9.282 0.650 1.00 0.00 N ATOM 196 CA MET A 12 21.787 -10.453 0.538 1.00 0.00 C ATOM 197 C MET A 12 21.740 -11.010 -0.881 1.00 0.00 C ATOM 198 O MET A 12 21.783 -12.222 -1.080 1.00 0.00 O ATOM 199 CB MET A 12 21.346 -11.514 1.549 1.00 0.00 C ATOM 200 CG MET A 12 21.524 -11.080 2.997 1.00 0.00 C ATOM 201 SD MET A 12 20.684 -12.172 4.163 1.00 0.00 S ATOM 202 CE MET A 12 18.966 -11.860 3.749 1.00 0.00 C ATOM 0 H MET A 12 19.930 -9.485 0.617 1.00 0.00 H new ATOM 0 HA MET A 12 22.815 -10.165 0.756 1.00 0.00 H new ATOM 0 HB2 MET A 12 20.297 -11.756 1.376 1.00 0.00 H new ATOM 0 HB3 MET A 12 21.916 -12.427 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 12 22.587 -11.051 3.235 1.00 0.00 H new ATOM 0 HG3 MET A 12 21.143 -10.066 3.117 1.00 0.00 H new ATOM 0 HE1 MET A 12 18.336 -12.098 4.606 1.00 0.00 H new ATOM 0 HE2 MET A 12 18.840 -10.810 3.487 1.00 0.00 H new ATOM 0 HE3 MET A 12 18.677 -12.483 2.902 1.00 0.00 H new ATOM 212 N GLN A 13 21.668 -10.100 -1.857 1.00 0.00 N ATOM 213 CA GLN A 13 21.578 -10.456 -3.279 1.00 0.00 C ATOM 214 C GLN A 13 20.284 -11.209 -3.572 1.00 0.00 C ATOM 215 O GLN A 13 20.167 -12.402 -3.287 1.00 0.00 O ATOM 216 CB GLN A 13 22.792 -11.280 -3.724 1.00 0.00 C ATOM 217 CG GLN A 13 22.735 -11.710 -5.181 1.00 0.00 C ATOM 218 CD GLN A 13 23.994 -12.423 -5.629 1.00 0.00 C ATOM 219 OE1 GLN A 13 25.089 -12.146 -5.135 1.00 0.00 O ATOM 220 NE2 GLN A 13 23.845 -13.348 -6.566 1.00 0.00 N ATOM 0 H GLN A 13 21.670 -9.095 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 13 21.572 -9.528 -3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 13 23.697 -10.695 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 13 22.869 -12.167 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 13 21.878 -12.367 -5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 13 22.576 -10.833 -5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 13 22.919 -13.544 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.656 -13.864 -6.907 1.00 0.00 H new ATOM 229 N ASP A 14 19.326 -10.491 -4.154 1.00 0.00 N ATOM 230 CA ASP A 14 17.983 -11.013 -4.416 1.00 0.00 C ATOM 231 C ASP A 14 17.404 -11.653 -3.160 1.00 0.00 C ATOM 232 O ASP A 14 17.450 -12.870 -2.976 1.00 0.00 O ATOM 233 CB ASP A 14 17.974 -12.008 -5.581 1.00 0.00 C ATOM 234 CG ASP A 14 16.564 -12.382 -6.004 1.00 0.00 C ATOM 235 OD1 ASP A 14 15.970 -11.643 -6.821 1.00 0.00 O ATOM 236 OD2 ASP A 14 16.045 -13.415 -5.535 1.00 0.00 O ATOM 0 H ASP A 14 19.458 -9.527 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 14 17.355 -10.170 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 14 18.504 -11.576 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.516 -12.908 -5.292 1.00 0.00 H new ATOM 241 N THR A 15 16.904 -10.814 -2.278 1.00 0.00 N ATOM 242 CA THR A 15 16.347 -11.266 -1.023 1.00 0.00 C ATOM 243 C THR A 15 14.829 -11.224 -1.091 1.00 0.00 C ATOM 244 O THR A 15 14.254 -10.210 -1.464 1.00 0.00 O ATOM 245 CB THR A 15 16.847 -10.376 0.135 1.00 0.00 C ATOM 246 OG1 THR A 15 18.282 -10.380 0.158 1.00 0.00 O ATOM 247 CG2 THR A 15 16.315 -10.854 1.477 1.00 0.00 C ATOM 0 H THR A 15 16.873 -9.803 -2.411 1.00 0.00 H new ATOM 0 HA THR A 15 16.670 -12.291 -0.841 1.00 0.00 H new ATOM 0 HB THR A 15 16.478 -9.364 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.610 -11.284 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.688 -10.204 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.225 -10.826 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.650 -11.875 1.658 1.00 0.00 H new ATOM 255 N ILE A 16 14.177 -12.323 -0.770 1.00 0.00 N ATOM 256 CA ILE A 16 12.730 -12.338 -0.752 1.00 0.00 C ATOM 257 C ILE A 16 12.225 -12.113 0.659 1.00 0.00 C ATOM 258 O ILE A 16 12.337 -12.980 1.528 1.00 0.00 O ATOM 259 CB ILE A 16 12.158 -13.642 -1.336 1.00 0.00 C ATOM 260 CG1 ILE A 16 12.579 -13.761 -2.800 1.00 0.00 C ATOM 261 CG2 ILE A 16 10.638 -13.673 -1.206 1.00 0.00 C ATOM 262 CD1 ILE A 16 12.009 -14.964 -3.508 1.00 0.00 C ATOM 0 H ILE A 16 14.620 -13.207 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 16 12.382 -11.525 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 16 12.553 -14.490 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.270 -12.860 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.667 -13.804 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.256 -14.604 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.361 -13.609 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.209 -12.829 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.355 -14.976 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.339 -15.873 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.920 -14.914 -3.490 1.00 0.00 H new ATOM 274 N ILE A 17 11.692 -10.927 0.884 1.00 0.00 N ATOM 275 CA ILE A 17 11.243 -10.532 2.201 1.00 0.00 C ATOM 276 C ILE A 17 9.786 -10.919 2.398 1.00 0.00 C ATOM 277 O ILE A 17 8.876 -10.231 1.931 1.00 0.00 O ATOM 278 CB ILE A 17 11.428 -9.011 2.425 1.00 0.00 C ATOM 279 CG1 ILE A 17 12.907 -8.639 2.262 1.00 0.00 C ATOM 280 CG2 ILE A 17 10.919 -8.593 3.800 1.00 0.00 C ATOM 281 CD1 ILE A 17 13.198 -7.168 2.471 1.00 0.00 C ATOM 0 H ILE A 17 11.560 -10.217 0.164 1.00 0.00 H new ATOM 0 HA ILE A 17 11.853 -11.057 2.936 1.00 0.00 H new ATOM 0 HB ILE A 17 10.841 -8.477 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.497 -9.220 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.235 -8.926 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.061 -7.520 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.859 -8.831 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.473 -9.129 4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 17 14.264 -6.986 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 17 12.636 -6.579 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 17 12.903 -6.878 3.480 1.00 0.00 H new ATOM 293 N ASN A 18 9.579 -12.062 3.037 1.00 0.00 N ATOM 294 CA ASN A 18 8.242 -12.494 3.403 1.00 0.00 C ATOM 295 C ASN A 18 7.841 -11.836 4.708 1.00 0.00 C ATOM 296 O ASN A 18 8.277 -12.248 5.783 1.00 0.00 O ATOM 297 CB ASN A 18 8.163 -14.020 3.551 1.00 0.00 C ATOM 298 CG ASN A 18 8.322 -14.764 2.238 1.00 0.00 C ATOM 299 OD1 ASN A 18 7.894 -14.155 1.144 1.00 0.00 O flip ATOM 300 ND2 ASN A 18 8.821 -15.890 2.208 1.00 0.00 N flip ATOM 0 H ASN A 18 10.321 -12.705 3.312 1.00 0.00 H new ATOM 0 HA ASN A 18 7.559 -12.198 2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.938 -14.351 4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.204 -14.285 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.140 -16.329 3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.915 -16.383 1.320 1.00 0.00 H new ATOM 307 N PHE A 19 7.034 -10.802 4.610 1.00 0.00 N ATOM 308 CA PHE A 19 6.580 -10.092 5.786 1.00 0.00 C ATOM 309 C PHE A 19 5.075 -10.230 5.920 1.00 0.00 C ATOM 310 O PHE A 19 4.364 -10.364 4.925 1.00 0.00 O ATOM 311 CB PHE A 19 6.986 -8.611 5.734 1.00 0.00 C ATOM 312 CG PHE A 19 6.445 -7.852 4.549 1.00 0.00 C ATOM 313 CD1 PHE A 19 7.151 -7.807 3.356 1.00 0.00 C ATOM 314 CD2 PHE A 19 5.234 -7.180 4.630 1.00 0.00 C ATOM 315 CE1 PHE A 19 6.661 -7.108 2.270 1.00 0.00 C ATOM 316 CE2 PHE A 19 4.740 -6.479 3.547 1.00 0.00 C ATOM 317 CZ PHE A 19 5.454 -6.443 2.365 1.00 0.00 C ATOM 0 H PHE A 19 6.679 -10.434 3.728 1.00 0.00 H new ATOM 0 HA PHE A 19 7.058 -10.533 6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.646 -8.123 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.074 -8.546 5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.095 -8.325 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.671 -7.205 5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.221 -7.081 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.796 -5.960 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.069 -5.896 1.517 1.00 0.00 H new ATOM 327 N TYR A 20 4.594 -10.227 7.146 1.00 0.00 N ATOM 328 CA TYR A 20 3.174 -10.327 7.390 1.00 0.00 C ATOM 329 C TYR A 20 2.807 -9.607 8.669 1.00 0.00 C ATOM 330 O TYR A 20 3.625 -9.523 9.586 1.00 0.00 O ATOM 331 CB TYR A 20 2.725 -11.787 7.469 1.00 0.00 C ATOM 332 CG TYR A 20 1.238 -11.921 7.652 1.00 0.00 C ATOM 333 CD1 TYR A 20 0.366 -11.314 6.762 1.00 0.00 C ATOM 334 CD2 TYR A 20 0.704 -12.627 8.719 1.00 0.00 C ATOM 335 CE1 TYR A 20 -0.996 -11.412 6.923 1.00 0.00 C ATOM 336 CE2 TYR A 20 -0.660 -12.727 8.891 1.00 0.00 C ATOM 337 CZ TYR A 20 -1.508 -12.120 7.991 1.00 0.00 C ATOM 338 OH TYR A 20 -2.870 -12.220 8.164 1.00 0.00 O ATOM 0 H TYR A 20 5.167 -10.156 7.987 1.00 0.00 H new ATOM 0 HA TYR A 20 2.660 -9.856 6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.024 -12.306 6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.236 -12.277 8.298 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.763 -10.755 5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.366 -13.105 9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.662 -10.937 6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.062 -13.279 9.728 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.060 -12.754 8.964 1.00 0.00 H new ATOM 348 N SER A 21 1.574 -9.096 8.697 1.00 0.00 N ATOM 349 CA SER A 21 0.993 -8.400 9.841 1.00 0.00 C ATOM 350 C SER A 21 1.766 -7.130 10.179 1.00 0.00 C ATOM 351 O SER A 21 2.914 -6.944 9.775 1.00 0.00 O ATOM 352 CB SER A 21 0.876 -9.323 11.073 1.00 0.00 C ATOM 353 OG SER A 21 2.139 -9.705 11.591 1.00 0.00 O ATOM 0 H SER A 21 0.938 -9.158 7.902 1.00 0.00 H new ATOM 0 HA SER A 21 -0.016 -8.106 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.308 -8.814 11.851 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.314 -10.216 10.801 1.00 0.00 H new ATOM 0 HG SER A 21 2.850 -9.322 11.035 1.00 0.00 H new ATOM 359 N THR A 22 1.116 -6.237 10.886 1.00 0.00 N ATOM 360 CA THR A 22 1.767 -5.037 11.342 1.00 0.00 C ATOM 361 C THR A 22 2.531 -5.329 12.626 1.00 0.00 C ATOM 362 O THR A 22 3.761 -5.309 12.636 1.00 0.00 O ATOM 363 CB THR A 22 0.739 -3.915 11.553 1.00 0.00 C ATOM 364 OG1 THR A 22 -0.424 -4.433 12.219 1.00 0.00 O ATOM 365 CG2 THR A 22 0.335 -3.310 10.217 1.00 0.00 C ATOM 0 H THR A 22 0.136 -6.321 11.157 1.00 0.00 H new ATOM 0 HA THR A 22 2.474 -4.700 10.584 1.00 0.00 H new ATOM 0 HB THR A 22 1.193 -3.140 12.170 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.074 -3.711 12.351 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.394 -2.516 10.382 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.215 -2.897 9.723 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.106 -4.082 9.586 1.00 0.00 H new ATOM 373 N SER A 23 1.779 -5.646 13.681 1.00 0.00 N ATOM 374 CA SER A 23 2.335 -6.038 14.974 1.00 0.00 C ATOM 375 C SER A 23 3.182 -4.920 15.586 1.00 0.00 C ATOM 376 O SER A 23 2.719 -4.193 16.466 1.00 0.00 O ATOM 377 CB SER A 23 3.149 -7.332 14.842 1.00 0.00 C ATOM 378 OG SER A 23 3.557 -7.814 16.112 1.00 0.00 O ATOM 0 H SER A 23 0.759 -5.637 13.661 1.00 0.00 H new ATOM 0 HA SER A 23 1.501 -6.222 15.651 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.551 -8.091 14.337 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.026 -7.151 14.220 1.00 0.00 H new ATOM 0 HG SER A 23 4.072 -8.640 15.998 1.00 0.00 H new ATOM 384 N ASP A 24 4.410 -4.775 15.110 1.00 0.00 N ATOM 385 CA ASP A 24 5.314 -3.762 15.622 1.00 0.00 C ATOM 386 C ASP A 24 5.448 -2.622 14.617 1.00 0.00 C ATOM 387 O ASP A 24 4.702 -2.550 13.638 1.00 0.00 O ATOM 388 CB ASP A 24 6.691 -4.365 15.935 1.00 0.00 C ATOM 389 CG ASP A 24 7.519 -4.650 14.696 1.00 0.00 C ATOM 390 OD1 ASP A 24 7.281 -5.686 14.040 1.00 0.00 O ATOM 391 OD2 ASP A 24 8.430 -3.848 14.391 1.00 0.00 O ATOM 0 H ASP A 24 4.803 -5.351 14.365 1.00 0.00 H new ATOM 0 HA ASP A 24 4.899 -3.367 16.549 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.241 -3.681 16.581 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.556 -5.291 16.494 1.00 0.00 H new ATOM 396 N ASP A 25 6.411 -1.748 14.862 1.00 0.00 N ATOM 397 CA ASP A 25 6.591 -0.543 14.060 1.00 0.00 C ATOM 398 C ASP A 25 7.000 -0.873 12.628 1.00 0.00 C ATOM 399 O ASP A 25 6.630 -0.162 11.695 1.00 0.00 O ATOM 400 CB ASP A 25 7.651 0.352 14.699 1.00 0.00 C ATOM 401 CG ASP A 25 7.455 0.504 16.192 1.00 0.00 C ATOM 402 OD1 ASP A 25 6.462 1.137 16.608 1.00 0.00 O ATOM 403 OD2 ASP A 25 8.285 -0.038 16.961 1.00 0.00 O ATOM 0 H ASP A 25 7.088 -1.851 15.618 1.00 0.00 H new ATOM 0 HA ASP A 25 5.634 -0.022 14.026 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.639 -0.065 14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.623 1.335 14.230 1.00 0.00 H new ATOM 408 N TYR A 26 7.741 -1.969 12.462 1.00 0.00 N ATOM 409 CA TYR A 26 8.285 -2.352 11.157 1.00 0.00 C ATOM 410 C TYR A 26 7.200 -2.952 10.260 1.00 0.00 C ATOM 411 O TYR A 26 7.455 -3.340 9.119 1.00 0.00 O ATOM 412 CB TYR A 26 9.447 -3.335 11.329 1.00 0.00 C ATOM 413 CG TYR A 26 10.377 -3.395 10.137 1.00 0.00 C ATOM 414 CD1 TYR A 26 11.126 -2.285 9.772 1.00 0.00 C ATOM 415 CD2 TYR A 26 10.509 -4.552 9.380 1.00 0.00 C ATOM 416 CE1 TYR A 26 11.981 -2.323 8.689 1.00 0.00 C ATOM 417 CE2 TYR A 26 11.364 -4.598 8.293 1.00 0.00 C ATOM 418 CZ TYR A 26 12.097 -3.480 7.953 1.00 0.00 C ATOM 419 OH TYR A 26 12.952 -3.521 6.875 1.00 0.00 O ATOM 0 H TYR A 26 7.980 -2.610 13.218 1.00 0.00 H new ATOM 0 HA TYR A 26 8.660 -1.451 10.671 1.00 0.00 H new ATOM 0 HB2 TYR A 26 10.021 -3.054 12.212 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.044 -4.331 11.514 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.038 -1.374 10.346 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.936 -5.429 9.644 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.556 -1.449 8.421 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.457 -5.505 7.714 1.00 0.00 H new ATOM 0 HH TYR A 26 12.918 -4.410 6.464 1.00 0.00 H new ATOM 429 N GLY A 27 5.991 -3.057 10.800 1.00 0.00 N ATOM 430 CA GLY A 27 4.850 -3.508 10.022 1.00 0.00 C ATOM 431 C GLY A 27 4.444 -2.496 8.962 1.00 0.00 C ATOM 432 O GLY A 27 3.484 -2.713 8.221 1.00 0.00 O ATOM 0 H GLY A 27 5.779 -2.835 11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.091 -4.457 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.007 -3.692 10.688 1.00 0.00 H new ATOM 436 N ASP A 28 5.175 -1.381 8.919 1.00 0.00 N ATOM 437 CA ASP A 28 4.899 -0.266 8.012 1.00 0.00 C ATOM 438 C ASP A 28 4.775 -0.710 6.554 1.00 0.00 C ATOM 439 O ASP A 28 4.010 -0.118 5.787 1.00 0.00 O ATOM 440 CB ASP A 28 6.003 0.789 8.132 1.00 0.00 C ATOM 441 CG ASP A 28 7.375 0.255 7.758 1.00 0.00 C ATOM 442 OD1 ASP A 28 7.718 0.286 6.558 1.00 0.00 O ATOM 443 OD2 ASP A 28 8.104 -0.201 8.665 1.00 0.00 O ATOM 0 H ASP A 28 5.984 -1.225 9.520 1.00 0.00 H new ATOM 0 HA ASP A 28 3.938 0.156 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.761 1.636 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.031 1.163 9.155 1.00 0.00 H new ATOM 448 N PHE A 29 5.521 -1.742 6.172 1.00 0.00 N ATOM 449 CA PHE A 29 5.488 -2.249 4.803 1.00 0.00 C ATOM 450 C PHE A 29 4.096 -2.723 4.402 1.00 0.00 C ATOM 451 O PHE A 29 3.679 -2.531 3.257 1.00 0.00 O ATOM 452 CB PHE A 29 6.486 -3.391 4.622 1.00 0.00 C ATOM 453 CG PHE A 29 7.888 -2.927 4.370 1.00 0.00 C ATOM 454 CD1 PHE A 29 8.249 -2.448 3.122 1.00 0.00 C ATOM 455 CD2 PHE A 29 8.841 -2.968 5.373 1.00 0.00 C ATOM 456 CE1 PHE A 29 9.535 -2.018 2.875 1.00 0.00 C ATOM 457 CE2 PHE A 29 10.131 -2.541 5.132 1.00 0.00 C ATOM 458 CZ PHE A 29 10.479 -2.064 3.883 1.00 0.00 C ATOM 0 H PHE A 29 6.157 -2.245 6.792 1.00 0.00 H new ATOM 0 HA PHE A 29 5.765 -1.418 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.474 -4.018 5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.164 -4.016 3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.513 -2.411 2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.573 -3.337 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.804 -1.646 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.869 -2.580 5.920 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.488 -1.727 3.695 1.00 0.00 H new ATOM 468 N SER A 30 3.378 -3.318 5.348 1.00 0.00 N ATOM 469 CA SER A 30 2.063 -3.887 5.076 1.00 0.00 C ATOM 470 C SER A 30 1.095 -2.816 4.572 1.00 0.00 C ATOM 471 O SER A 30 1.197 -1.640 4.937 1.00 0.00 O ATOM 472 CB SER A 30 1.505 -4.556 6.335 1.00 0.00 C ATOM 473 OG SER A 30 0.291 -5.235 6.060 1.00 0.00 O ATOM 0 H SER A 30 3.687 -3.419 6.315 1.00 0.00 H new ATOM 0 HA SER A 30 2.173 -4.639 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.237 -5.260 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.337 -3.804 7.106 1.00 0.00 H new ATOM 0 HG SER A 30 0.348 -5.664 5.181 1.00 0.00 H new ATOM 479 N ASN A 31 0.160 -3.224 3.726 1.00 0.00 N ATOM 480 CA ASN A 31 -0.837 -2.300 3.195 1.00 0.00 C ATOM 481 C ASN A 31 -1.868 -1.976 4.268 1.00 0.00 C ATOM 482 O ASN A 31 -2.624 -1.014 4.152 1.00 0.00 O ATOM 483 CB ASN A 31 -1.527 -2.880 1.953 1.00 0.00 C ATOM 484 CG ASN A 31 -2.438 -4.057 2.265 1.00 0.00 C ATOM 485 OD1 ASN A 31 -3.629 -3.883 2.512 1.00 0.00 O ATOM 486 ND2 ASN A 31 -1.887 -5.259 2.254 1.00 0.00 N ATOM 0 H ASN A 31 0.069 -4.184 3.393 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.328 -1.383 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.111 -2.096 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.767 -3.197 1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.455 -6.082 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.894 -5.363 2.044 1.00 0.00 H new ATOM 493 N PHE A 32 -1.864 -2.781 5.323 1.00 0.00 N ATOM 494 CA PHE A 32 -2.799 -2.623 6.426 1.00 0.00 C ATOM 495 C PHE A 32 -2.148 -1.833 7.566 1.00 0.00 C ATOM 496 O PHE A 32 -2.706 -1.705 8.655 1.00 0.00 O ATOM 497 CB PHE A 32 -3.244 -4.011 6.902 1.00 0.00 C ATOM 498 CG PHE A 32 -4.467 -4.006 7.775 1.00 0.00 C ATOM 499 CD1 PHE A 32 -5.709 -3.693 7.243 1.00 0.00 C ATOM 500 CD2 PHE A 32 -4.377 -4.317 9.121 1.00 0.00 C ATOM 501 CE1 PHE A 32 -6.837 -3.692 8.039 1.00 0.00 C ATOM 502 CE2 PHE A 32 -5.501 -4.318 9.922 1.00 0.00 C ATOM 503 CZ PHE A 32 -6.733 -4.006 9.381 1.00 0.00 C ATOM 0 H PHE A 32 -1.214 -3.559 5.437 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.673 -2.063 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.438 -4.636 6.030 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.423 -4.474 7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.795 -3.447 6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.416 -4.562 9.549 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.799 -3.446 7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.417 -4.562 10.971 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.614 -4.007 10.006 1.00 0.00 H new ATOM 513 N ALA A 33 -0.957 -1.302 7.306 1.00 0.00 N ATOM 514 CA ALA A 33 -0.241 -0.508 8.297 1.00 0.00 C ATOM 515 C ALA A 33 -0.926 0.835 8.508 1.00 0.00 C ATOM 516 O ALA A 33 -1.301 1.500 7.546 1.00 0.00 O ATOM 517 CB ALA A 33 1.203 -0.308 7.873 1.00 0.00 C ATOM 0 H ALA A 33 -0.468 -1.408 6.417 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.253 -1.049 9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.724 0.287 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.691 -1.278 7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.232 0.211 6.915 1.00 0.00 H new ATOM 523 N ALA A 34 -1.059 1.239 9.763 1.00 0.00 N ATOM 524 CA ALA A 34 -1.791 2.447 10.111 1.00 0.00 C ATOM 525 C ALA A 34 -0.912 3.677 9.960 1.00 0.00 C ATOM 526 O ALA A 34 -0.553 4.338 10.936 1.00 0.00 O ATOM 527 CB ALA A 34 -2.349 2.352 11.524 1.00 0.00 C ATOM 0 H ALA A 34 -0.666 0.743 10.563 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.629 2.544 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.892 3.266 11.763 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.025 1.500 11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.530 2.222 12.231 1.00 0.00 H new ATOM 533 N TRP A 35 -0.522 3.930 8.731 1.00 0.00 N ATOM 534 CA TRP A 35 0.193 5.147 8.378 1.00 0.00 C ATOM 535 C TRP A 35 -0.710 6.066 7.564 1.00 0.00 C ATOM 536 O TRP A 35 -1.204 5.676 6.503 1.00 0.00 O ATOM 537 CB TRP A 35 1.464 4.823 7.592 1.00 0.00 C ATOM 538 CG TRP A 35 2.531 4.171 8.420 1.00 0.00 C ATOM 539 CD1 TRP A 35 2.599 2.858 8.787 1.00 0.00 C ATOM 540 CD2 TRP A 35 3.688 4.805 8.983 1.00 0.00 C ATOM 541 NE1 TRP A 35 3.723 2.638 9.545 1.00 0.00 N ATOM 542 CE2 TRP A 35 4.410 3.816 9.678 1.00 0.00 C ATOM 543 CE3 TRP A 35 4.183 6.112 8.965 1.00 0.00 C ATOM 544 CZ2 TRP A 35 5.600 4.094 10.349 1.00 0.00 C ATOM 545 CZ3 TRP A 35 5.365 6.386 9.632 1.00 0.00 C ATOM 546 CH2 TRP A 35 6.061 5.381 10.315 1.00 0.00 C ATOM 0 H TRP A 35 -0.689 3.302 7.945 1.00 0.00 H new ATOM 0 HA TRP A 35 0.482 5.656 9.298 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.209 4.167 6.760 1.00 0.00 H new ATOM 0 HB3 TRP A 35 1.860 5.743 7.162 1.00 0.00 H new ATOM 0 HD1 TRP A 35 1.875 2.103 8.520 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.002 1.742 9.945 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.653 6.894 8.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.138 3.321 10.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.757 7.392 9.625 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.980 5.627 10.825 1.00 0.00 H new ATOM 557 N PRO A 36 -0.947 7.292 8.061 1.00 0.00 N ATOM 558 CA PRO A 36 -1.835 8.262 7.407 1.00 0.00 C ATOM 559 C PRO A 36 -1.364 8.632 6.005 1.00 0.00 C ATOM 560 O PRO A 36 -0.184 8.918 5.786 1.00 0.00 O ATOM 561 CB PRO A 36 -1.779 9.488 8.327 1.00 0.00 C ATOM 562 CG PRO A 36 -1.295 8.969 9.636 1.00 0.00 C ATOM 563 CD PRO A 36 -0.375 7.829 9.307 1.00 0.00 C ATOM 0 HA PRO A 36 -2.839 7.859 7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.105 10.248 7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.760 9.952 8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.772 9.745 10.195 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.127 8.634 10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.652 8.166 9.167 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.360 7.081 10.100 1.00 0.00 H new ATOM 571 N ILE A 37 -2.294 8.627 5.059 1.00 0.00 N ATOM 572 CA ILE A 37 -1.978 8.948 3.677 1.00 0.00 C ATOM 573 C ILE A 37 -2.753 10.177 3.211 1.00 0.00 C ATOM 574 O ILE A 37 -3.877 10.424 3.659 1.00 0.00 O ATOM 575 CB ILE A 37 -2.280 7.764 2.733 1.00 0.00 C ATOM 576 CG1 ILE A 37 -3.748 7.345 2.837 1.00 0.00 C ATOM 577 CG2 ILE A 37 -1.365 6.590 3.048 1.00 0.00 C ATOM 578 CD1 ILE A 37 -4.144 6.262 1.857 1.00 0.00 C ATOM 0 H ILE A 37 -3.275 8.403 5.226 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.909 9.159 3.638 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.092 8.086 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.946 6.995 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.378 8.219 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.590 5.763 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.326 6.893 2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.523 6.272 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.198 6.018 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.980 6.615 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.540 5.372 2.035 1.00 0.00 H new ATOM 590 N LYS A 38 -2.147 10.947 2.319 1.00 0.00 N ATOM 591 CA LYS A 38 -2.773 12.148 1.790 1.00 0.00 C ATOM 592 C LYS A 38 -3.166 11.921 0.336 1.00 0.00 C ATOM 593 O LYS A 38 -2.329 12.008 -0.565 1.00 0.00 O ATOM 594 CB LYS A 38 -1.810 13.333 1.898 1.00 0.00 C ATOM 595 CG LYS A 38 -2.492 14.687 1.922 1.00 0.00 C ATOM 596 CD LYS A 38 -3.298 14.870 3.199 1.00 0.00 C ATOM 597 CE LYS A 38 -3.807 16.296 3.351 1.00 0.00 C ATOM 598 NZ LYS A 38 -2.696 17.284 3.390 1.00 0.00 N ATOM 0 H LYS A 38 -1.217 10.759 1.945 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.668 12.372 2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.215 13.222 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.118 13.302 1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.744 15.476 1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.148 14.783 1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.143 14.182 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.679 14.612 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.474 16.533 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.395 16.375 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.033 18.168 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.910 16.901 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.367 17.475 2.422 1.00 0.00 H new ATOM 612 N VAL A 39 -4.431 11.604 0.110 1.00 0.00 N ATOM 613 CA VAL A 39 -4.897 11.254 -1.224 1.00 0.00 C ATOM 614 C VAL A 39 -6.019 12.181 -1.668 1.00 0.00 C ATOM 615 O VAL A 39 -7.054 12.265 -1.008 1.00 0.00 O ATOM 616 CB VAL A 39 -5.399 9.797 -1.278 1.00 0.00 C ATOM 617 CG1 VAL A 39 -5.685 9.382 -2.707 1.00 0.00 C ATOM 618 CG2 VAL A 39 -4.393 8.854 -0.641 1.00 0.00 C ATOM 0 H VAL A 39 -5.153 11.582 0.831 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.047 11.363 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.328 9.739 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.038 8.351 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.450 10.034 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.773 9.462 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.770 7.832 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.445 8.918 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.241 9.134 0.401 1.00 0.00 H new ATOM 628 N ASP A 40 -5.792 12.886 -2.779 1.00 0.00 N ATOM 629 CA ASP A 40 -6.779 13.815 -3.344 1.00 0.00 C ATOM 630 C ASP A 40 -7.088 14.935 -2.358 1.00 0.00 C ATOM 631 O ASP A 40 -8.177 15.511 -2.375 1.00 0.00 O ATOM 632 CB ASP A 40 -8.080 13.091 -3.733 1.00 0.00 C ATOM 633 CG ASP A 40 -7.901 12.107 -4.875 1.00 0.00 C ATOM 634 OD1 ASP A 40 -7.651 12.546 -6.019 1.00 0.00 O ATOM 635 OD2 ASP A 40 -8.007 10.887 -4.638 1.00 0.00 O ATOM 0 H ASP A 40 -4.924 12.831 -3.312 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.343 14.242 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.467 12.561 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.829 13.831 -4.014 1.00 0.00 H new ATOM 640 N GLY A 41 -6.117 15.247 -1.507 1.00 0.00 N ATOM 641 CA GLY A 41 -6.305 16.276 -0.503 1.00 0.00 C ATOM 642 C GLY A 41 -7.004 15.755 0.736 1.00 0.00 C ATOM 643 O GLY A 41 -7.236 16.502 1.689 1.00 0.00 O ATOM 0 H GLY A 41 -5.199 14.803 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.335 16.688 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.888 17.093 -0.929 1.00 0.00 H new ATOM 647 N LYS A 42 -7.325 14.471 0.735 1.00 0.00 N ATOM 648 CA LYS A 42 -8.040 13.860 1.839 1.00 0.00 C ATOM 649 C LYS A 42 -7.086 13.022 2.676 1.00 0.00 C ATOM 650 O LYS A 42 -6.157 12.412 2.147 1.00 0.00 O ATOM 651 CB LYS A 42 -9.192 13.007 1.302 1.00 0.00 C ATOM 652 CG LYS A 42 -10.193 13.813 0.489 1.00 0.00 C ATOM 653 CD LYS A 42 -11.199 12.925 -0.221 1.00 0.00 C ATOM 654 CE LYS A 42 -12.247 13.752 -0.955 1.00 0.00 C ATOM 655 NZ LYS A 42 -11.647 14.651 -1.979 1.00 0.00 N ATOM 0 H LYS A 42 -7.099 13.830 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.457 14.640 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.787 12.207 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.707 12.533 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.721 14.504 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.660 14.416 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.681 12.279 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.688 12.275 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.961 13.084 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.805 14.349 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.403 15.077 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.105 15.403 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.013 14.102 -2.594 1.00 0.00 H new ATOM 669 N THR A 43 -7.305 13.009 3.980 1.00 0.00 N ATOM 670 CA THR A 43 -6.410 12.318 4.890 1.00 0.00 C ATOM 671 C THR A 43 -7.039 11.020 5.381 1.00 0.00 C ATOM 672 O THR A 43 -7.996 11.034 6.159 1.00 0.00 O ATOM 673 CB THR A 43 -6.053 13.210 6.090 1.00 0.00 C ATOM 674 OG1 THR A 43 -5.654 14.505 5.617 1.00 0.00 O ATOM 675 CG2 THR A 43 -4.927 12.596 6.913 1.00 0.00 C ATOM 0 H THR A 43 -8.095 13.469 4.431 1.00 0.00 H new ATOM 0 HA THR A 43 -5.496 12.084 4.344 1.00 0.00 H new ATOM 0 HB THR A 43 -6.932 13.301 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.427 15.076 6.380 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.695 13.248 7.755 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.239 11.620 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.041 12.481 6.289 1.00 0.00 H new ATOM 683 N TRP A 44 -6.502 9.908 4.912 1.00 0.00 N ATOM 684 CA TRP A 44 -7.013 8.598 5.277 1.00 0.00 C ATOM 685 C TRP A 44 -6.108 7.968 6.328 1.00 0.00 C ATOM 686 O TRP A 44 -4.892 8.157 6.291 1.00 0.00 O ATOM 687 CB TRP A 44 -7.092 7.697 4.041 1.00 0.00 C ATOM 688 CG TRP A 44 -7.863 8.299 2.902 1.00 0.00 C ATOM 689 CD1 TRP A 44 -7.358 9.047 1.876 1.00 0.00 C ATOM 690 CD2 TRP A 44 -9.275 8.209 2.673 1.00 0.00 C ATOM 691 NE1 TRP A 44 -8.365 9.425 1.025 1.00 0.00 N ATOM 692 CE2 TRP A 44 -9.552 8.922 1.490 1.00 0.00 C ATOM 693 CE3 TRP A 44 -10.331 7.591 3.350 1.00 0.00 C ATOM 694 CZ2 TRP A 44 -10.840 9.034 0.973 1.00 0.00 C ATOM 695 CZ3 TRP A 44 -11.608 7.704 2.837 1.00 0.00 C ATOM 696 CH2 TRP A 44 -11.854 8.419 1.657 1.00 0.00 C ATOM 0 H TRP A 44 -5.707 9.886 4.273 1.00 0.00 H new ATOM 0 HA TRP A 44 -8.016 8.710 5.690 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.081 7.469 3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.555 6.751 4.321 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.316 9.304 1.753 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.249 9.989 0.183 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -10.151 7.035 4.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -11.032 9.586 0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.431 7.233 3.354 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -12.864 8.486 1.280 1.00 0.00 H new ATOM 707 N PRO A 45 -6.689 7.223 7.287 1.00 0.00 N ATOM 708 CA PRO A 45 -5.926 6.550 8.349 1.00 0.00 C ATOM 709 C PRO A 45 -4.907 5.564 7.791 1.00 0.00 C ATOM 710 O PRO A 45 -3.862 5.329 8.394 1.00 0.00 O ATOM 711 CB PRO A 45 -6.998 5.808 9.156 1.00 0.00 C ATOM 712 CG PRO A 45 -8.271 6.515 8.843 1.00 0.00 C ATOM 713 CD PRO A 45 -8.137 6.990 7.424 1.00 0.00 C ATOM 0 HA PRO A 45 -5.348 7.259 8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.050 4.757 8.872 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.781 5.839 10.224 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.126 5.848 8.953 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.431 7.352 9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.495 6.245 6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.711 7.900 7.247 1.00 0.00 H new ATOM 721 N THR A 46 -5.232 4.984 6.638 1.00 0.00 N ATOM 722 CA THR A 46 -4.342 4.065 5.955 1.00 0.00 C ATOM 723 C THR A 46 -4.891 3.748 4.559 1.00 0.00 C ATOM 724 O THR A 46 -5.949 4.259 4.175 1.00 0.00 O ATOM 725 CB THR A 46 -4.081 2.780 6.791 1.00 0.00 C ATOM 726 OG1 THR A 46 -3.383 1.796 6.021 1.00 0.00 O ATOM 727 CG2 THR A 46 -5.367 2.192 7.348 1.00 0.00 C ATOM 0 H THR A 46 -6.118 5.141 6.157 1.00 0.00 H new ATOM 0 HA THR A 46 -3.372 4.547 5.837 1.00 0.00 H new ATOM 0 HB THR A 46 -3.456 3.075 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.450 1.750 6.318 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.137 1.296 7.925 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.853 2.924 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.035 1.933 6.526 1.00 0.00 H new ATOM 735 N SER A 47 -4.175 2.914 3.819 1.00 0.00 N ATOM 736 CA SER A 47 -4.393 2.739 2.389 1.00 0.00 C ATOM 737 C SER A 47 -5.740 2.099 2.055 1.00 0.00 C ATOM 738 O SER A 47 -6.400 2.509 1.095 1.00 0.00 O ATOM 739 CB SER A 47 -3.256 1.900 1.809 1.00 0.00 C ATOM 740 OG SER A 47 -1.997 2.474 2.123 1.00 0.00 O ATOM 0 H SER A 47 -3.423 2.337 4.195 1.00 0.00 H new ATOM 0 HA SER A 47 -4.408 3.732 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.308 0.886 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.368 1.826 0.727 1.00 0.00 H new ATOM 0 HG SER A 47 -1.282 1.921 1.744 1.00 0.00 H new ATOM 746 N GLU A 48 -6.160 1.116 2.843 1.00 0.00 N ATOM 747 CA GLU A 48 -7.346 0.332 2.500 1.00 0.00 C ATOM 748 C GLU A 48 -8.607 1.204 2.471 1.00 0.00 C ATOM 749 O GLU A 48 -9.495 0.981 1.657 1.00 0.00 O ATOM 750 CB GLU A 48 -7.525 -0.866 3.457 1.00 0.00 C ATOM 751 CG GLU A 48 -8.407 -0.601 4.673 1.00 0.00 C ATOM 752 CD GLU A 48 -7.777 0.315 5.702 1.00 0.00 C ATOM 753 OE1 GLU A 48 -7.285 1.402 5.329 1.00 0.00 O ATOM 754 OE2 GLU A 48 -7.820 -0.021 6.892 1.00 0.00 O ATOM 0 H GLU A 48 -5.705 0.843 3.714 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.193 -0.063 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.949 -1.699 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.542 -1.183 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.347 -0.163 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.649 -1.552 5.148 1.00 0.00 H new ATOM 761 N HIS A 49 -8.663 2.207 3.345 1.00 0.00 N ATOM 762 CA HIS A 49 -9.813 3.105 3.430 1.00 0.00 C ATOM 763 C HIS A 49 -10.098 3.758 2.085 1.00 0.00 C ATOM 764 O HIS A 49 -11.250 3.844 1.662 1.00 0.00 O ATOM 765 CB HIS A 49 -9.589 4.184 4.498 1.00 0.00 C ATOM 766 CG HIS A 49 -9.811 3.721 5.910 1.00 0.00 C ATOM 767 ND1 HIS A 49 -8.870 3.020 6.635 1.00 0.00 N ATOM 768 CD2 HIS A 49 -10.867 3.895 6.747 1.00 0.00 C ATOM 769 CE1 HIS A 49 -9.330 2.791 7.850 1.00 0.00 C ATOM 770 NE2 HIS A 49 -10.539 3.312 7.946 1.00 0.00 N ATOM 0 H HIS A 49 -7.919 2.419 4.009 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.677 2.505 3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.570 4.559 4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.256 5.022 4.295 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.959 2.724 6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -11.793 4.399 6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.806 2.266 8.634 1.00 0.00 H new ATOM 779 N TYR A 50 -9.047 4.197 1.404 1.00 0.00 N ATOM 780 CA TYR A 50 -9.208 4.806 0.091 1.00 0.00 C ATOM 781 C TYR A 50 -9.584 3.747 -0.939 1.00 0.00 C ATOM 782 O TYR A 50 -10.424 3.978 -1.807 1.00 0.00 O ATOM 783 CB TYR A 50 -7.933 5.528 -0.345 1.00 0.00 C ATOM 784 CG TYR A 50 -8.095 6.282 -1.643 1.00 0.00 C ATOM 785 CD1 TYR A 50 -8.879 7.424 -1.700 1.00 0.00 C ATOM 786 CD2 TYR A 50 -7.472 5.853 -2.809 1.00 0.00 C ATOM 787 CE1 TYR A 50 -9.039 8.122 -2.878 1.00 0.00 C ATOM 788 CE2 TYR A 50 -7.627 6.546 -3.994 1.00 0.00 C ATOM 789 CZ TYR A 50 -8.413 7.680 -4.022 1.00 0.00 C ATOM 790 OH TYR A 50 -8.567 8.385 -5.194 1.00 0.00 O ATOM 0 H TYR A 50 -8.084 4.144 1.735 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.009 5.542 0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.631 6.224 0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.129 4.800 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.373 7.773 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.858 4.965 -2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.652 9.011 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.136 6.203 -4.893 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.558 9.346 -5.001 1.00 0.00 H new ATOM 800 N PHE A 51 -8.964 2.582 -0.820 1.00 0.00 N ATOM 801 CA PHE A 51 -9.240 1.459 -1.710 1.00 0.00 C ATOM 802 C PHE A 51 -10.711 1.046 -1.598 1.00 0.00 C ATOM 803 O PHE A 51 -11.360 0.706 -2.591 1.00 0.00 O ATOM 804 CB PHE A 51 -8.313 0.292 -1.347 1.00 0.00 C ATOM 805 CG PHE A 51 -8.383 -0.890 -2.276 1.00 0.00 C ATOM 806 CD1 PHE A 51 -7.992 -0.774 -3.602 1.00 0.00 C ATOM 807 CD2 PHE A 51 -8.820 -2.121 -1.816 1.00 0.00 C ATOM 808 CE1 PHE A 51 -8.042 -1.865 -4.450 1.00 0.00 C ATOM 809 CE2 PHE A 51 -8.869 -3.215 -2.660 1.00 0.00 C ATOM 810 CZ PHE A 51 -8.478 -3.086 -3.978 1.00 0.00 C ATOM 0 H PHE A 51 -8.259 2.387 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.053 1.752 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.286 0.657 -1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.554 -0.043 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.645 0.178 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -9.126 -2.228 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.740 -1.761 -5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.213 -4.169 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.513 -3.940 -4.639 1.00 0.00 H new ATOM 820 N GLN A 52 -11.231 1.092 -0.381 1.00 0.00 N ATOM 821 CA GLN A 52 -12.629 0.778 -0.123 1.00 0.00 C ATOM 822 C GLN A 52 -13.530 1.902 -0.630 1.00 0.00 C ATOM 823 O GLN A 52 -14.522 1.648 -1.311 1.00 0.00 O ATOM 824 CB GLN A 52 -12.849 0.557 1.377 1.00 0.00 C ATOM 825 CG GLN A 52 -11.997 -0.561 1.956 1.00 0.00 C ATOM 826 CD GLN A 52 -12.407 -1.930 1.459 1.00 0.00 C ATOM 827 OE1 GLN A 52 -11.976 -2.377 0.396 1.00 0.00 O ATOM 828 NE2 GLN A 52 -13.219 -2.617 2.240 1.00 0.00 N ATOM 0 H GLN A 52 -10.700 1.346 0.452 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.886 -0.138 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.630 1.483 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.901 0.330 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.952 -0.385 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -12.067 -0.539 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.553 -2.209 3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.513 -3.556 1.971 1.00 0.00 H new ATOM 837 N ALA A 53 -13.159 3.139 -0.311 1.00 0.00 N ATOM 838 CA ALA A 53 -13.935 4.306 -0.715 1.00 0.00 C ATOM 839 C ALA A 53 -14.024 4.426 -2.230 1.00 0.00 C ATOM 840 O ALA A 53 -15.085 4.734 -2.777 1.00 0.00 O ATOM 841 CB ALA A 53 -13.325 5.573 -0.136 1.00 0.00 C ATOM 0 H ALA A 53 -12.322 3.359 0.229 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.945 4.177 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.915 6.435 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.319 5.510 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.303 5.683 -0.498 1.00 0.00 H new ATOM 847 N GLN A 54 -12.908 4.182 -2.904 1.00 0.00 N ATOM 848 CA GLN A 54 -12.846 4.330 -4.349 1.00 0.00 C ATOM 849 C GLN A 54 -13.338 3.064 -5.044 1.00 0.00 C ATOM 850 O GLN A 54 -13.580 3.064 -6.245 1.00 0.00 O ATOM 851 CB GLN A 54 -11.421 4.669 -4.789 1.00 0.00 C ATOM 852 CG GLN A 54 -11.366 5.490 -6.068 1.00 0.00 C ATOM 853 CD GLN A 54 -12.170 6.773 -5.958 1.00 0.00 C ATOM 854 OE1 GLN A 54 -13.356 6.810 -6.291 1.00 0.00 O ATOM 855 NE2 GLN A 54 -11.533 7.835 -5.483 1.00 0.00 N ATOM 0 H GLN A 54 -12.034 3.881 -2.472 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.501 5.151 -4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.923 5.219 -3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.863 3.744 -4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.328 5.732 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.747 4.894 -6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.551 7.764 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.026 8.722 -5.383 1.00 0.00 H new ATOM 864 N LYS A 55 -13.462 1.982 -4.288 1.00 0.00 N ATOM 865 CA LYS A 55 -14.060 0.759 -4.808 1.00 0.00 C ATOM 866 C LYS A 55 -15.527 0.986 -5.160 1.00 0.00 C ATOM 867 O LYS A 55 -15.957 0.716 -6.284 1.00 0.00 O ATOM 868 CB LYS A 55 -13.944 -0.365 -3.777 1.00 0.00 C ATOM 869 CG LYS A 55 -14.533 -1.693 -4.230 1.00 0.00 C ATOM 870 CD LYS A 55 -14.396 -2.774 -3.161 1.00 0.00 C ATOM 871 CE LYS A 55 -12.953 -3.242 -2.989 1.00 0.00 C ATOM 872 NZ LYS A 55 -12.099 -2.242 -2.288 1.00 0.00 N ATOM 0 H LYS A 55 -13.158 1.925 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.523 0.473 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.892 -0.512 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.443 -0.054 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.586 -1.557 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.033 -2.019 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.767 -2.390 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.022 -3.626 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.944 -4.177 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.526 -3.454 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.212 -2.113 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.603 -1.334 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.885 -2.580 -1.328 1.00 0.00 H new ATOM 886 N PHE A 56 -16.282 1.500 -4.200 1.00 0.00 N ATOM 887 CA PHE A 56 -17.713 1.691 -4.371 1.00 0.00 C ATOM 888 C PHE A 56 -18.007 2.963 -5.155 1.00 0.00 C ATOM 889 O PHE A 56 -17.160 3.856 -5.265 1.00 0.00 O ATOM 890 CB PHE A 56 -18.413 1.748 -3.010 1.00 0.00 C ATOM 891 CG PHE A 56 -18.311 0.472 -2.220 1.00 0.00 C ATOM 892 CD1 PHE A 56 -19.101 -0.619 -2.541 1.00 0.00 C ATOM 893 CD2 PHE A 56 -17.434 0.369 -1.152 1.00 0.00 C ATOM 894 CE1 PHE A 56 -19.015 -1.791 -1.813 1.00 0.00 C ATOM 895 CE2 PHE A 56 -17.343 -0.801 -0.422 1.00 0.00 C ATOM 896 CZ PHE A 56 -18.135 -1.882 -0.753 1.00 0.00 C ATOM 0 H PHE A 56 -15.924 1.793 -3.291 1.00 0.00 H new ATOM 0 HA PHE A 56 -18.096 0.841 -4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -17.984 2.562 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -19.466 1.986 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -19.792 -0.554 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -16.814 1.213 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -19.636 -2.635 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -16.653 -0.869 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 56 -18.066 -2.797 -0.184 1.00 0.00 H new ATOM 906 N LEU A 57 -19.206 3.029 -5.714 1.00 0.00 N ATOM 907 CA LEU A 57 -19.655 4.208 -6.442 1.00 0.00 C ATOM 908 C LEU A 57 -20.535 5.061 -5.541 1.00 0.00 C ATOM 909 O LEU A 57 -20.611 6.282 -5.695 1.00 0.00 O ATOM 910 CB LEU A 57 -20.443 3.820 -7.702 1.00 0.00 C ATOM 911 CG LEU A 57 -19.663 3.064 -8.785 1.00 0.00 C ATOM 912 CD1 LEU A 57 -19.390 1.629 -8.362 1.00 0.00 C ATOM 913 CD2 LEU A 57 -20.426 3.093 -10.099 1.00 0.00 C ATOM 0 H LEU A 57 -19.891 2.274 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.774 4.772 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -21.291 3.206 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -20.850 4.729 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 57 -18.703 3.562 -8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -18.836 1.117 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -18.803 1.626 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.335 1.114 -8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.862 2.553 -10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -21.399 2.620 -9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -20.565 4.127 -10.416 1.00 0.00 H new ATOM 925 N ASP A 58 -21.202 4.391 -4.607 1.00 0.00 N ATOM 926 CA ASP A 58 -22.096 5.043 -3.656 1.00 0.00 C ATOM 927 C ASP A 58 -21.355 6.086 -2.837 1.00 0.00 C ATOM 928 O ASP A 58 -20.398 5.768 -2.129 1.00 0.00 O ATOM 929 CB ASP A 58 -22.707 4.010 -2.708 1.00 0.00 C ATOM 930 CG ASP A 58 -23.530 2.967 -3.428 1.00 0.00 C ATOM 931 OD1 ASP A 58 -22.937 2.108 -4.108 1.00 0.00 O ATOM 932 OD2 ASP A 58 -24.776 3.009 -3.315 1.00 0.00 O ATOM 0 H ASP A 58 -21.138 3.380 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.885 5.533 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.909 3.517 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.335 4.521 -1.978 1.00 0.00 H new ATOM 937 N GLU A 59 -21.807 7.326 -2.926 1.00 0.00 N ATOM 938 CA GLU A 59 -21.224 8.402 -2.145 1.00 0.00 C ATOM 939 C GLU A 59 -21.552 8.197 -0.670 1.00 0.00 C ATOM 940 O GLU A 59 -20.723 8.448 0.202 1.00 0.00 O ATOM 941 CB GLU A 59 -21.754 9.752 -2.624 1.00 0.00 C ATOM 942 CG GLU A 59 -21.255 10.933 -1.811 1.00 0.00 C ATOM 943 CD GLU A 59 -21.966 12.215 -2.173 1.00 0.00 C ATOM 944 OE1 GLU A 59 -23.207 12.256 -2.056 1.00 0.00 O ATOM 945 OE2 GLU A 59 -21.294 13.184 -2.587 1.00 0.00 O ATOM 0 H GLU A 59 -22.576 7.612 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.142 8.393 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.468 9.894 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -22.843 9.736 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.397 10.728 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -20.184 11.056 -1.971 1.00 0.00 H new ATOM 952 N LYS A 60 -22.763 7.716 -0.407 1.00 0.00 N ATOM 953 CA LYS A 60 -23.207 7.447 0.955 1.00 0.00 C ATOM 954 C LYS A 60 -22.331 6.396 1.629 1.00 0.00 C ATOM 955 O LYS A 60 -21.964 6.544 2.794 1.00 0.00 O ATOM 956 CB LYS A 60 -24.669 7.000 0.967 1.00 0.00 C ATOM 957 CG LYS A 60 -25.656 8.149 0.883 1.00 0.00 C ATOM 958 CD LYS A 60 -25.546 9.052 2.103 1.00 0.00 C ATOM 959 CE LYS A 60 -26.546 10.194 2.055 1.00 0.00 C ATOM 960 NZ LYS A 60 -26.438 11.064 3.253 1.00 0.00 N ATOM 0 H LYS A 60 -23.457 7.504 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 60 -23.117 8.375 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -24.840 6.323 0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -24.860 6.434 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -25.469 8.729 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.670 7.757 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -25.710 8.464 3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -24.536 9.457 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -26.378 10.788 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -27.557 9.791 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -27.135 11.833 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -26.622 10.502 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -25.481 11.468 3.304 1.00 0.00 H new ATOM 974 N TYR A 61 -21.991 5.341 0.901 1.00 0.00 N ATOM 975 CA TYR A 61 -21.151 4.290 1.459 1.00 0.00 C ATOM 976 C TYR A 61 -19.710 4.778 1.557 1.00 0.00 C ATOM 977 O TYR A 61 -19.007 4.479 2.516 1.00 0.00 O ATOM 978 CB TYR A 61 -21.221 3.017 0.613 1.00 0.00 C ATOM 979 CG TYR A 61 -21.090 1.745 1.426 1.00 0.00 C ATOM 980 CD1 TYR A 61 -20.249 1.679 2.533 1.00 0.00 C ATOM 981 CD2 TYR A 61 -21.826 0.615 1.099 1.00 0.00 C ATOM 982 CE1 TYR A 61 -20.142 0.525 3.282 1.00 0.00 C ATOM 983 CE2 TYR A 61 -21.729 -0.543 1.847 1.00 0.00 C ATOM 984 CZ TYR A 61 -20.883 -0.583 2.936 1.00 0.00 C ATOM 985 OH TYR A 61 -20.788 -1.732 3.687 1.00 0.00 O ATOM 0 H TYR A 61 -22.280 5.191 -0.066 1.00 0.00 H new ATOM 0 HA TYR A 61 -21.520 4.050 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -22.169 2.999 0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -20.430 3.044 -0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -19.669 2.547 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -22.486 0.641 0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -19.481 0.491 4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -22.312 -1.412 1.580 1.00 0.00 H new ATOM 0 HH TYR A 61 -19.990 -2.234 3.418 1.00 0.00 H new ATOM 995 N ARG A 62 -19.283 5.552 0.568 1.00 0.00 N ATOM 996 CA ARG A 62 -17.943 6.124 0.573 1.00 0.00 C ATOM 997 C ARG A 62 -17.770 7.064 1.764 1.00 0.00 C ATOM 998 O ARG A 62 -16.733 7.061 2.427 1.00 0.00 O ATOM 999 CB ARG A 62 -17.682 6.874 -0.735 1.00 0.00 C ATOM 1000 CG ARG A 62 -16.292 7.481 -0.828 1.00 0.00 C ATOM 1001 CD ARG A 62 -16.081 8.166 -2.164 1.00 0.00 C ATOM 1002 NE ARG A 62 -16.243 7.237 -3.278 1.00 0.00 N ATOM 1003 CZ ARG A 62 -16.688 7.587 -4.482 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -17.025 8.846 -4.731 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -16.813 6.677 -5.437 1.00 0.00 N ATOM 0 H ARG A 62 -19.844 5.798 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.220 5.313 0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.826 6.189 -1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -18.422 7.667 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.152 8.201 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.542 6.701 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.791 8.987 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.082 8.602 -2.196 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.000 6.258 -3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.943 9.550 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.366 9.109 -5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.568 5.705 -5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.154 6.949 -6.359 1.00 0.00 H new ATOM 1019 N GLU A 63 -18.796 7.859 2.036 1.00 0.00 N ATOM 1020 CA GLU A 63 -18.772 8.781 3.161 1.00 0.00 C ATOM 1021 C GLU A 63 -18.867 8.006 4.475 1.00 0.00 C ATOM 1022 O GLU A 63 -18.387 8.462 5.516 1.00 0.00 O ATOM 1023 CB GLU A 63 -19.919 9.786 3.054 1.00 0.00 C ATOM 1024 CG GLU A 63 -19.694 11.044 3.870 1.00 0.00 C ATOM 1025 CD GLU A 63 -20.939 11.890 3.999 1.00 0.00 C ATOM 1026 OE1 GLU A 63 -21.177 12.756 3.135 1.00 0.00 O ATOM 1027 OE2 GLU A 63 -21.685 11.701 4.984 1.00 0.00 O ATOM 0 H GLU A 63 -19.657 7.883 1.490 1.00 0.00 H new ATOM 0 HA GLU A 63 -17.831 9.330 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -20.056 10.060 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -20.842 9.309 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -19.343 10.768 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.905 11.636 3.406 1.00 0.00 H new ATOM 1034 N GLU A 64 -19.485 6.833 4.414 1.00 0.00 N ATOM 1035 CA GLU A 64 -19.566 5.942 5.564 1.00 0.00 C ATOM 1036 C GLU A 64 -18.181 5.398 5.896 1.00 0.00 C ATOM 1037 O GLU A 64 -17.796 5.307 7.062 1.00 0.00 O ATOM 1038 CB GLU A 64 -20.537 4.794 5.268 1.00 0.00 C ATOM 1039 CG GLU A 64 -20.747 3.844 6.435 1.00 0.00 C ATOM 1040 CD GLU A 64 -21.819 2.809 6.161 1.00 0.00 C ATOM 1041 OE1 GLU A 64 -23.013 3.178 6.135 1.00 0.00 O ATOM 1042 OE2 GLU A 64 -21.478 1.624 5.980 1.00 0.00 O ATOM 0 H GLU A 64 -19.940 6.475 3.574 1.00 0.00 H new ATOM 0 HA GLU A 64 -19.938 6.498 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -21.500 5.213 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.164 4.228 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -19.808 3.338 6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.020 4.418 7.321 1.00 0.00 H new ATOM 1049 N ILE A 65 -17.427 5.065 4.859 1.00 0.00 N ATOM 1050 CA ILE A 65 -16.058 4.595 5.023 1.00 0.00 C ATOM 1051 C ILE A 65 -15.146 5.752 5.441 1.00 0.00 C ATOM 1052 O ILE A 65 -14.055 5.547 5.975 1.00 0.00 O ATOM 1053 CB ILE A 65 -15.543 3.926 3.725 1.00 0.00 C ATOM 1054 CG1 ILE A 65 -16.473 2.766 3.354 1.00 0.00 C ATOM 1055 CG2 ILE A 65 -14.111 3.427 3.893 1.00 0.00 C ATOM 1056 CD1 ILE A 65 -16.068 2.012 2.110 1.00 0.00 C ATOM 0 H ILE A 65 -17.742 5.112 3.890 1.00 0.00 H new ATOM 0 HA ILE A 65 -16.044 3.843 5.812 1.00 0.00 H new ATOM 0 HB ILE A 65 -15.542 4.665 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -16.513 2.068 4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -17.482 3.156 3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -13.777 2.962 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.459 4.267 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.073 2.695 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -16.781 1.209 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.057 2.693 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -15.073 1.588 2.249 1.00 0.00 H new ATOM 1068 N ARG A 66 -15.609 6.977 5.216 1.00 0.00 N ATOM 1069 CA ARG A 66 -14.895 8.151 5.700 1.00 0.00 C ATOM 1070 C ARG A 66 -15.110 8.294 7.206 1.00 0.00 C ATOM 1071 O ARG A 66 -14.285 8.879 7.911 1.00 0.00 O ATOM 1072 CB ARG A 66 -15.359 9.419 4.968 1.00 0.00 C ATOM 1073 CG ARG A 66 -14.486 10.637 5.246 1.00 0.00 C ATOM 1074 CD ARG A 66 -14.913 11.851 4.431 1.00 0.00 C ATOM 1075 NE ARG A 66 -16.188 12.416 4.883 1.00 0.00 N ATOM 1076 CZ ARG A 66 -16.829 13.405 4.256 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -16.333 13.923 3.138 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -17.960 13.885 4.749 1.00 0.00 N ATOM 0 H ARG A 66 -16.468 7.181 4.706 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.832 8.022 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.369 9.226 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.385 9.643 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.532 10.880 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.447 10.397 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.139 12.616 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.997 11.568 3.382 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.611 12.030 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.458 13.565 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.827 14.679 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.345 13.499 5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.446 14.641 4.267 1.00 0.00 H new ATOM 1092 N ARG A 67 -16.216 7.736 7.697 1.00 0.00 N ATOM 1093 CA ARG A 67 -16.538 7.787 9.122 1.00 0.00 C ATOM 1094 C ARG A 67 -15.639 6.846 9.920 1.00 0.00 C ATOM 1095 O ARG A 67 -15.244 7.156 11.046 1.00 0.00 O ATOM 1096 CB ARG A 67 -18.000 7.394 9.376 1.00 0.00 C ATOM 1097 CG ARG A 67 -19.038 8.327 8.769 1.00 0.00 C ATOM 1098 CD ARG A 67 -18.959 9.734 9.348 1.00 0.00 C ATOM 1099 NE ARG A 67 -20.228 10.457 9.212 1.00 0.00 N ATOM 1100 CZ ARG A 67 -20.755 10.858 8.052 1.00 0.00 C ATOM 1101 NH1 ARG A 67 -20.118 10.639 6.914 1.00 0.00 N ATOM 1102 NH2 ARG A 67 -21.922 11.492 8.026 1.00 0.00 N ATOM 0 H ARG A 67 -16.904 7.243 7.128 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.376 8.815 9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.163 6.391 8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.164 7.345 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.896 8.372 7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -20.034 7.920 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.685 9.677 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.169 10.290 8.843 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.745 10.669 10.065 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.217 10.161 6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.528 10.948 6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.422 11.676 8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.318 11.795 7.136 1.00 0.00 H new ATOM 1116 N VAL A 68 -15.312 5.701 9.330 1.00 0.00 N ATOM 1117 CA VAL A 68 -14.609 4.652 10.053 1.00 0.00 C ATOM 1118 C VAL A 68 -13.132 4.982 10.248 1.00 0.00 C ATOM 1119 O VAL A 68 -12.404 5.278 9.297 1.00 0.00 O ATOM 1120 CB VAL A 68 -14.756 3.274 9.361 1.00 0.00 C ATOM 1121 CG1 VAL A 68 -14.121 3.252 7.983 1.00 0.00 C ATOM 1122 CG2 VAL A 68 -14.179 2.177 10.232 1.00 0.00 C ATOM 0 H VAL A 68 -15.522 5.478 8.357 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.078 4.595 11.035 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.822 3.094 9.226 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.250 2.265 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.599 4.000 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.057 3.475 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.291 1.216 9.729 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.121 2.372 10.410 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.708 2.152 11.184 1.00 0.00 H new ATOM 1132 N SER A 69 -12.706 4.946 11.496 1.00 0.00 N ATOM 1133 CA SER A 69 -11.313 5.152 11.836 1.00 0.00 C ATOM 1134 C SER A 69 -10.571 3.817 11.873 1.00 0.00 C ATOM 1135 O SER A 69 -9.431 3.715 11.420 1.00 0.00 O ATOM 1136 CB SER A 69 -11.216 5.857 13.189 1.00 0.00 C ATOM 1137 OG SER A 69 -12.035 5.214 14.154 1.00 0.00 O ATOM 0 H SER A 69 -13.312 4.774 12.298 1.00 0.00 H new ATOM 0 HA SER A 69 -10.848 5.778 11.075 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.180 5.860 13.529 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.520 6.898 13.084 1.00 0.00 H new ATOM 0 HG SER A 69 -11.957 5.680 15.012 1.00 0.00 H new ATOM 1143 N SER A 70 -11.244 2.792 12.389 1.00 0.00 N ATOM 1144 CA SER A 70 -10.643 1.475 12.548 1.00 0.00 C ATOM 1145 C SER A 70 -10.474 0.769 11.201 1.00 0.00 C ATOM 1146 O SER A 70 -11.446 0.550 10.475 1.00 0.00 O ATOM 1147 CB SER A 70 -11.503 0.626 13.481 1.00 0.00 C ATOM 1148 OG SER A 70 -11.724 1.291 14.714 1.00 0.00 O ATOM 0 H SER A 70 -12.212 2.851 12.705 1.00 0.00 H new ATOM 0 HA SER A 70 -9.651 1.605 12.981 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.459 0.410 13.004 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.014 -0.331 13.662 1.00 0.00 H new ATOM 0 HG SER A 70 -12.279 0.729 15.294 1.00 0.00 H new ATOM 1154 N PRO A 71 -9.225 0.418 10.860 1.00 0.00 N ATOM 1155 CA PRO A 71 -8.887 -0.283 9.611 1.00 0.00 C ATOM 1156 C PRO A 71 -9.706 -1.555 9.384 1.00 0.00 C ATOM 1157 O PRO A 71 -10.242 -1.775 8.295 1.00 0.00 O ATOM 1158 CB PRO A 71 -7.409 -0.632 9.798 1.00 0.00 C ATOM 1159 CG PRO A 71 -6.893 0.406 10.728 1.00 0.00 C ATOM 1160 CD PRO A 71 -8.024 0.706 11.668 1.00 0.00 C ATOM 0 HA PRO A 71 -9.100 0.335 8.739 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.287 -1.632 10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.874 -0.614 8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.018 0.046 11.270 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.587 1.300 10.186 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.981 0.082 12.561 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.004 1.743 12.003 1.00 0.00 H new ATOM 1168 N MET A 72 -9.825 -2.377 10.424 1.00 0.00 N ATOM 1169 CA MET A 72 -10.497 -3.670 10.303 1.00 0.00 C ATOM 1170 C MET A 72 -11.972 -3.498 9.957 1.00 0.00 C ATOM 1171 O MET A 72 -12.555 -4.329 9.261 1.00 0.00 O ATOM 1172 CB MET A 72 -10.349 -4.486 11.590 1.00 0.00 C ATOM 1173 CG MET A 72 -8.911 -4.867 11.903 1.00 0.00 C ATOM 1174 SD MET A 72 -8.761 -5.926 13.355 1.00 0.00 S ATOM 1175 CE MET A 72 -9.673 -7.372 12.817 1.00 0.00 C ATOM 0 H MET A 72 -9.467 -2.173 11.357 1.00 0.00 H new ATOM 0 HA MET A 72 -10.016 -4.213 9.489 1.00 0.00 H new ATOM 0 HB2 MET A 72 -10.754 -3.912 12.423 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.947 -5.393 11.507 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.481 -5.378 11.042 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.327 -3.960 12.060 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.159 -8.272 13.153 1.00 0.00 H new ATOM 0 HE2 MET A 72 -10.677 -7.348 13.241 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.739 -7.376 11.729 1.00 0.00 H new ATOM 1185 N VAL A 73 -12.567 -2.409 10.424 1.00 0.00 N ATOM 1186 CA VAL A 73 -13.970 -2.139 10.151 1.00 0.00 C ATOM 1187 C VAL A 73 -14.144 -1.645 8.714 1.00 0.00 C ATOM 1188 O VAL A 73 -15.151 -1.929 8.068 1.00 0.00 O ATOM 1189 CB VAL A 73 -14.556 -1.107 11.139 1.00 0.00 C ATOM 1190 CG1 VAL A 73 -16.048 -0.911 10.905 1.00 0.00 C ATOM 1191 CG2 VAL A 73 -14.293 -1.525 12.577 1.00 0.00 C ATOM 0 H VAL A 73 -12.101 -1.701 10.992 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.516 -3.073 10.281 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.056 -0.155 10.961 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.435 -0.179 11.614 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -16.213 -0.553 9.889 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -16.566 -1.860 11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.715 -0.783 13.255 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.757 -2.493 12.765 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.218 -1.599 12.744 1.00 0.00 H new ATOM 1201 N ALA A 74 -13.141 -0.933 8.208 1.00 0.00 N ATOM 1202 CA ALA A 74 -13.159 -0.454 6.828 1.00 0.00 C ATOM 1203 C ALA A 74 -13.193 -1.628 5.857 1.00 0.00 C ATOM 1204 O ALA A 74 -13.928 -1.618 4.865 1.00 0.00 O ATOM 1205 CB ALA A 74 -11.952 0.427 6.551 1.00 0.00 C ATOM 0 H ALA A 74 -12.305 -0.675 8.732 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.060 0.142 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.984 0.774 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.966 1.286 7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.039 -0.145 6.714 1.00 0.00 H new ATOM 1211 N ALA A 75 -12.392 -2.645 6.153 1.00 0.00 N ATOM 1212 CA ALA A 75 -12.400 -3.870 5.373 1.00 0.00 C ATOM 1213 C ALA A 75 -13.726 -4.601 5.559 1.00 0.00 C ATOM 1214 O ALA A 75 -14.294 -5.134 4.607 1.00 0.00 O ATOM 1215 CB ALA A 75 -11.233 -4.759 5.776 1.00 0.00 C ATOM 0 H ALA A 75 -11.730 -2.642 6.929 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.290 -3.619 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.251 -5.674 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.296 -4.231 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.315 -5.010 6.834 1.00 0.00 H new ATOM 1221 N ARG A 76 -14.225 -4.589 6.794 1.00 0.00 N ATOM 1222 CA ARG A 76 -15.487 -5.240 7.128 1.00 0.00 C ATOM 1223 C ARG A 76 -16.637 -4.661 6.298 1.00 0.00 C ATOM 1224 O ARG A 76 -17.563 -5.380 5.924 1.00 0.00 O ATOM 1225 CB ARG A 76 -15.781 -5.083 8.625 1.00 0.00 C ATOM 1226 CG ARG A 76 -16.148 -6.389 9.315 1.00 0.00 C ATOM 1227 CD ARG A 76 -17.438 -6.974 8.770 1.00 0.00 C ATOM 1228 NE ARG A 76 -17.741 -8.279 9.351 1.00 0.00 N ATOM 1229 CZ ARG A 76 -18.778 -9.030 8.985 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -19.624 -8.596 8.059 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -18.972 -10.214 9.548 1.00 0.00 N ATOM 0 H ARG A 76 -13.769 -4.132 7.584 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.399 -6.301 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.906 -4.656 9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.597 -4.372 8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.340 -7.108 9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.252 -6.217 10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -18.260 -6.288 8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.363 -7.069 7.687 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.123 -8.636 10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.481 -7.684 7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.417 -9.174 7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.327 -10.551 10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.767 -10.788 9.267 1.00 0.00 H new ATOM 1245 N MET A 77 -16.570 -3.363 6.012 1.00 0.00 N ATOM 1246 CA MET A 77 -17.567 -2.713 5.164 1.00 0.00 C ATOM 1247 C MET A 77 -17.513 -3.271 3.746 1.00 0.00 C ATOM 1248 O MET A 77 -18.509 -3.769 3.221 1.00 0.00 O ATOM 1249 CB MET A 77 -17.346 -1.197 5.123 1.00 0.00 C ATOM 1250 CG MET A 77 -17.583 -0.504 6.453 1.00 0.00 C ATOM 1251 SD MET A 77 -17.291 1.274 6.377 1.00 0.00 S ATOM 1252 CE MET A 77 -17.795 1.762 8.025 1.00 0.00 C ATOM 0 H MET A 77 -15.837 -2.741 6.354 1.00 0.00 H new ATOM 0 HA MET A 77 -18.548 -2.916 5.593 1.00 0.00 H new ATOM 0 HB2 MET A 77 -16.325 -0.997 4.797 1.00 0.00 H new ATOM 0 HB3 MET A 77 -18.010 -0.763 4.375 1.00 0.00 H new ATOM 0 HG2 MET A 77 -18.609 -0.686 6.774 1.00 0.00 H new ATOM 0 HG3 MET A 77 -16.930 -0.943 7.207 1.00 0.00 H new ATOM 0 HE1 MET A 77 -17.759 2.848 8.110 1.00 0.00 H new ATOM 0 HE2 MET A 77 -18.812 1.417 8.211 1.00 0.00 H new ATOM 0 HE3 MET A 77 -17.121 1.318 8.758 1.00 0.00 H new ATOM 1262 N GLY A 78 -16.330 -3.218 3.146 1.00 0.00 N ATOM 1263 CA GLY A 78 -16.171 -3.639 1.766 1.00 0.00 C ATOM 1264 C GLY A 78 -15.945 -5.132 1.624 1.00 0.00 C ATOM 1265 O GLY A 78 -15.558 -5.604 0.556 1.00 0.00 O ATOM 0 H GLY A 78 -15.474 -2.889 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.059 -3.356 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.329 -3.106 1.324 1.00 0.00 H new ATOM 1269 N ARG A 79 -16.157 -5.871 2.708 1.00 0.00 N ATOM 1270 CA ARG A 79 -16.082 -7.328 2.670 1.00 0.00 C ATOM 1271 C ARG A 79 -17.252 -7.900 1.872 1.00 0.00 C ATOM 1272 O ARG A 79 -17.245 -9.070 1.482 1.00 0.00 O ATOM 1273 CB ARG A 79 -16.092 -7.909 4.086 1.00 0.00 C ATOM 1274 CG ARG A 79 -14.988 -8.925 4.330 1.00 0.00 C ATOM 1275 CD ARG A 79 -13.631 -8.247 4.417 1.00 0.00 C ATOM 1276 NE ARG A 79 -12.534 -9.205 4.538 1.00 0.00 N ATOM 1277 CZ ARG A 79 -12.067 -9.674 5.696 1.00 0.00 C ATOM 1278 NH1 ARG A 79 -12.652 -9.344 6.842 1.00 0.00 N ATOM 1279 NH2 ARG A 79 -11.023 -10.488 5.705 1.00 0.00 N ATOM 0 H ARG A 79 -16.382 -5.485 3.625 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.147 -7.605 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.992 -7.096 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.057 -8.381 4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.187 -9.468 5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.980 -9.659 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.477 -7.634 3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.619 -7.575 5.275 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.096 -9.537 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.465 -8.728 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.289 -9.707 7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.577 -10.755 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.664 -10.848 6.590 1.00 0.00 H new ATOM 1293 N ASP A 80 -18.263 -7.074 1.647 1.00 0.00 N ATOM 1294 CA ASP A 80 -19.414 -7.475 0.857 1.00 0.00 C ATOM 1295 C ASP A 80 -19.389 -6.793 -0.502 1.00 0.00 C ATOM 1296 O ASP A 80 -19.509 -5.572 -0.596 1.00 0.00 O ATOM 1297 CB ASP A 80 -20.719 -7.138 1.580 1.00 0.00 C ATOM 1298 CG ASP A 80 -21.933 -7.383 0.707 1.00 0.00 C ATOM 1299 OD1 ASP A 80 -22.289 -8.560 0.495 1.00 0.00 O ATOM 1300 OD2 ASP A 80 -22.523 -6.401 0.211 1.00 0.00 O ATOM 0 H ASP A 80 -18.308 -6.119 2.002 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.363 -8.555 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.797 -7.739 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.701 -6.094 1.891 1.00 0.00 H new ATOM 1305 N ARG A 81 -19.223 -7.586 -1.553 1.00 0.00 N ATOM 1306 CA ARG A 81 -19.209 -7.050 -2.908 1.00 0.00 C ATOM 1307 C ARG A 81 -20.550 -7.283 -3.596 1.00 0.00 C ATOM 1308 O ARG A 81 -20.633 -7.324 -4.822 1.00 0.00 O ATOM 1309 CB ARG A 81 -18.064 -7.659 -3.728 1.00 0.00 C ATOM 1310 CG ARG A 81 -18.081 -9.177 -3.815 1.00 0.00 C ATOM 1311 CD ARG A 81 -16.980 -9.685 -4.735 1.00 0.00 C ATOM 1312 NE ARG A 81 -16.858 -11.141 -4.698 1.00 0.00 N ATOM 1313 CZ ARG A 81 -16.352 -11.879 -5.685 1.00 0.00 C ATOM 1314 NH1 ARG A 81 -15.952 -11.310 -6.819 1.00 0.00 N ATOM 1315 NH2 ARG A 81 -16.247 -13.193 -5.538 1.00 0.00 N ATOM 0 H ARG A 81 -19.097 -8.596 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 81 -19.042 -5.975 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -18.102 -7.251 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -17.116 -7.344 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.953 -9.603 -2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -19.051 -9.513 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.186 -9.365 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.030 -9.235 -4.445 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.182 -11.624 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.031 -10.300 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.566 -11.884 -7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.553 -13.635 -4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.860 -13.761 -6.292 1.00 0.00 H new ATOM 1329 N SER A 82 -21.604 -7.419 -2.796 1.00 0.00 N ATOM 1330 CA SER A 82 -22.955 -7.531 -3.329 1.00 0.00 C ATOM 1331 C SER A 82 -23.480 -6.138 -3.664 1.00 0.00 C ATOM 1332 O SER A 82 -24.532 -5.975 -4.289 1.00 0.00 O ATOM 1333 CB SER A 82 -23.876 -8.211 -2.312 1.00 0.00 C ATOM 1334 OG SER A 82 -23.280 -9.388 -1.789 1.00 0.00 O ATOM 0 H SER A 82 -21.547 -7.454 -1.778 1.00 0.00 H new ATOM 0 HA SER A 82 -22.935 -8.140 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 82 -24.098 -7.520 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 82 -24.825 -8.460 -2.786 1.00 0.00 H new ATOM 0 HG SER A 82 -22.898 -9.197 -0.907 1.00 0.00 H new ATOM 1340 N LYS A 83 -22.725 -5.140 -3.224 1.00 0.00 N ATOM 1341 CA LYS A 83 -23.032 -3.744 -3.480 1.00 0.00 C ATOM 1342 C LYS A 83 -22.569 -3.359 -4.889 1.00 0.00 C ATOM 1343 O LYS A 83 -21.823 -4.111 -5.516 1.00 0.00 O ATOM 1344 CB LYS A 83 -22.343 -2.876 -2.422 1.00 0.00 C ATOM 1345 CG LYS A 83 -22.738 -3.230 -0.994 1.00 0.00 C ATOM 1346 CD LYS A 83 -24.213 -2.965 -0.740 1.00 0.00 C ATOM 1347 CE LYS A 83 -24.639 -3.433 0.642 1.00 0.00 C ATOM 1348 NZ LYS A 83 -24.612 -4.917 0.767 1.00 0.00 N ATOM 0 H LYS A 83 -21.877 -5.280 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 83 -24.109 -3.584 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -21.263 -2.978 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -22.585 -1.830 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -22.519 -4.281 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -22.137 -2.648 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -24.414 -1.898 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -24.810 -3.474 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -23.980 -2.995 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -25.645 -3.071 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -25.112 -5.202 1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -25.080 -5.343 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -23.626 -5.244 0.813 1.00 0.00 H new ATOM 1362 N PRO A 84 -23.012 -2.200 -5.411 1.00 0.00 N ATOM 1363 CA PRO A 84 -22.662 -1.762 -6.768 1.00 0.00 C ATOM 1364 C PRO A 84 -21.156 -1.681 -7.002 1.00 0.00 C ATOM 1365 O PRO A 84 -20.476 -0.801 -6.470 1.00 0.00 O ATOM 1366 CB PRO A 84 -23.286 -0.369 -6.877 1.00 0.00 C ATOM 1367 CG PRO A 84 -24.371 -0.354 -5.859 1.00 0.00 C ATOM 1368 CD PRO A 84 -23.893 -1.230 -4.735 1.00 0.00 C ATOM 0 HA PRO A 84 -23.025 -2.470 -7.513 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.549 0.410 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -23.680 -0.190 -7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -24.564 0.660 -5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -25.305 -0.730 -6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -23.355 -0.657 -3.979 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -24.723 -1.724 -4.230 1.00 0.00 H new ATOM 1376 N LEU A 85 -20.642 -2.614 -7.790 1.00 0.00 N ATOM 1377 CA LEU A 85 -19.243 -2.600 -8.181 1.00 0.00 C ATOM 1378 C LEU A 85 -19.081 -1.844 -9.492 1.00 0.00 C ATOM 1379 O LEU A 85 -19.980 -1.843 -10.333 1.00 0.00 O ATOM 1380 CB LEU A 85 -18.708 -4.026 -8.324 1.00 0.00 C ATOM 1381 CG LEU A 85 -18.709 -4.855 -7.037 1.00 0.00 C ATOM 1382 CD1 LEU A 85 -18.180 -6.255 -7.303 1.00 0.00 C ATOM 1383 CD2 LEU A 85 -17.876 -4.174 -5.964 1.00 0.00 C ATOM 0 H LEU A 85 -21.177 -3.394 -8.172 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.669 -2.096 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.304 -4.547 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -17.688 -3.978 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 85 -19.737 -4.934 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -18.188 -6.829 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -18.812 -6.748 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.160 -6.193 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -17.888 -4.777 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.849 -4.066 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -18.292 -3.189 -5.751 1.00 0.00 H new ATOM 1395 N ARG A 86 -17.937 -1.201 -9.663 1.00 0.00 N ATOM 1396 CA ARG A 86 -17.706 -0.363 -10.831 1.00 0.00 C ATOM 1397 C ARG A 86 -17.226 -1.184 -12.022 1.00 0.00 C ATOM 1398 O ARG A 86 -16.557 -2.205 -11.861 1.00 0.00 O ATOM 1399 CB ARG A 86 -16.702 0.745 -10.508 1.00 0.00 C ATOM 1400 CG ARG A 86 -15.388 0.244 -9.938 1.00 0.00 C ATOM 1401 CD ARG A 86 -14.489 1.402 -9.539 1.00 0.00 C ATOM 1402 NE ARG A 86 -15.131 2.268 -8.553 1.00 0.00 N ATOM 1403 CZ ARG A 86 -15.228 3.592 -8.671 1.00 0.00 C ATOM 1404 NH1 ARG A 86 -14.738 4.213 -9.740 1.00 0.00 N ATOM 1405 NH2 ARG A 86 -15.812 4.298 -7.718 1.00 0.00 N ATOM 0 H ARG A 86 -17.155 -1.242 -9.010 1.00 0.00 H new ATOM 0 HA ARG A 86 -18.658 0.094 -11.103 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -16.499 1.312 -11.416 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -17.155 1.435 -9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.581 -0.386 -9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.881 -0.377 -10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.556 1.014 -9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.232 1.985 -10.423 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.530 1.832 -7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.283 3.676 -10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.817 5.227 -9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.188 3.829 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.887 5.311 -7.807 1.00 0.00 H new ATOM 1419 N LYS A 87 -17.562 -0.718 -13.215 1.00 0.00 N ATOM 1420 CA LYS A 87 -17.198 -1.406 -14.449 1.00 0.00 C ATOM 1421 C LYS A 87 -15.722 -1.207 -14.770 1.00 0.00 C ATOM 1422 O LYS A 87 -15.107 -2.032 -15.442 1.00 0.00 O ATOM 1423 CB LYS A 87 -18.053 -0.899 -15.611 1.00 0.00 C ATOM 1424 CG LYS A 87 -19.522 -1.272 -15.501 1.00 0.00 C ATOM 1425 CD LYS A 87 -20.345 -0.650 -16.624 1.00 0.00 C ATOM 1426 CE LYS A 87 -19.797 -1.011 -17.999 1.00 0.00 C ATOM 1427 NZ LYS A 87 -19.845 -2.474 -18.266 1.00 0.00 N ATOM 0 H LYS A 87 -18.091 0.142 -13.357 1.00 0.00 H new ATOM 0 HA LYS A 87 -17.381 -2.471 -14.307 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -17.967 0.186 -15.667 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.655 -1.299 -16.544 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -19.626 -2.357 -15.531 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -19.911 -0.941 -14.538 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -21.379 -0.987 -16.546 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.353 0.434 -16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -20.370 -0.486 -18.764 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.767 -0.664 -18.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.493 -2.663 -19.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.250 -2.973 -17.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.826 -2.810 -18.185 1.00 0.00 H new ATOM 1441 N ASN A 88 -15.159 -0.115 -14.275 1.00 0.00 N ATOM 1442 CA ASN A 88 -13.757 0.206 -14.533 1.00 0.00 C ATOM 1443 C ASN A 88 -12.859 -0.380 -13.451 1.00 0.00 C ATOM 1444 O ASN A 88 -11.668 -0.079 -13.401 1.00 0.00 O ATOM 1445 CB ASN A 88 -13.542 1.723 -14.581 1.00 0.00 C ATOM 1446 CG ASN A 88 -14.446 2.434 -15.572 1.00 0.00 C ATOM 1447 OD1 ASN A 88 -14.846 1.871 -16.592 1.00 0.00 O ATOM 1448 ND2 ASN A 88 -14.762 3.688 -15.279 1.00 0.00 N ATOM 0 H ASN A 88 -15.648 0.565 -13.693 1.00 0.00 H new ATOM 0 HA ASN A 88 -13.498 -0.229 -15.498 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.710 2.137 -13.587 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -12.503 1.926 -14.839 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -15.358 4.224 -15.909 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -14.409 4.116 -14.423 1.00 0.00 H new ATOM 1455 N TRP A 89 -13.431 -1.229 -12.600 1.00 0.00 N ATOM 1456 CA TRP A 89 -12.714 -1.771 -11.446 1.00 0.00 C ATOM 1457 C TRP A 89 -11.426 -2.478 -11.861 1.00 0.00 C ATOM 1458 O TRP A 89 -10.364 -2.231 -11.294 1.00 0.00 O ATOM 1459 CB TRP A 89 -13.616 -2.734 -10.668 1.00 0.00 C ATOM 1460 CG TRP A 89 -12.952 -3.335 -9.466 1.00 0.00 C ATOM 1461 CD1 TRP A 89 -12.745 -4.660 -9.221 1.00 0.00 C ATOM 1462 CD2 TRP A 89 -12.394 -2.627 -8.353 1.00 0.00 C ATOM 1463 NE1 TRP A 89 -12.100 -4.822 -8.019 1.00 0.00 N ATOM 1464 CE2 TRP A 89 -11.874 -3.589 -7.467 1.00 0.00 C ATOM 1465 CE3 TRP A 89 -12.286 -1.274 -8.016 1.00 0.00 C ATOM 1466 CZ2 TRP A 89 -11.253 -3.241 -6.273 1.00 0.00 C ATOM 1467 CZ3 TRP A 89 -11.669 -0.930 -6.829 1.00 0.00 C ATOM 1468 CH2 TRP A 89 -11.162 -1.910 -5.969 1.00 0.00 C ATOM 0 H TRP A 89 -14.392 -1.558 -12.688 1.00 0.00 H new ATOM 0 HA TRP A 89 -12.441 -0.934 -10.804 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -14.513 -2.203 -10.350 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -13.939 -3.535 -11.333 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -13.044 -5.465 -9.876 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -11.833 -5.715 -7.605 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.678 -0.511 -8.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.856 -3.995 -5.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -11.577 0.112 -6.561 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -10.689 -1.610 -5.046 1.00 0.00 H new ATOM 1479 N GLU A 90 -11.522 -3.330 -12.865 1.00 0.00 N ATOM 1480 CA GLU A 90 -10.384 -4.117 -13.319 1.00 0.00 C ATOM 1481 C GLU A 90 -9.289 -3.242 -13.932 1.00 0.00 C ATOM 1482 O GLU A 90 -8.148 -3.682 -14.082 1.00 0.00 O ATOM 1483 CB GLU A 90 -10.843 -5.167 -14.325 1.00 0.00 C ATOM 1484 CG GLU A 90 -11.740 -6.232 -13.715 1.00 0.00 C ATOM 1485 CD GLU A 90 -12.178 -7.270 -14.723 1.00 0.00 C ATOM 1486 OE1 GLU A 90 -11.319 -8.040 -15.201 1.00 0.00 O ATOM 1487 OE2 GLU A 90 -13.384 -7.332 -15.034 1.00 0.00 O ATOM 0 H GLU A 90 -12.382 -3.497 -13.387 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.957 -4.611 -12.446 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.377 -4.673 -15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.968 -5.646 -14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.211 -6.724 -12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.620 -5.756 -13.283 1.00 0.00 H new ATOM 1494 N SER A 91 -9.629 -2.007 -14.278 1.00 0.00 N ATOM 1495 CA SER A 91 -8.665 -1.097 -14.880 1.00 0.00 C ATOM 1496 C SER A 91 -8.100 -0.124 -13.846 1.00 0.00 C ATOM 1497 O SER A 91 -6.951 0.305 -13.944 1.00 0.00 O ATOM 1498 CB SER A 91 -9.317 -0.338 -16.035 1.00 0.00 C ATOM 1499 OG SER A 91 -9.832 -1.245 -16.997 1.00 0.00 O ATOM 0 H SER A 91 -10.562 -1.614 -14.152 1.00 0.00 H new ATOM 0 HA SER A 91 -7.833 -1.685 -15.267 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.120 0.294 -15.656 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.586 0.322 -16.503 1.00 0.00 H new ATOM 0 HG SER A 91 -10.248 -0.744 -17.729 1.00 0.00 H new ATOM 1505 N VAL A 92 -8.901 0.210 -12.844 1.00 0.00 N ATOM 1506 CA VAL A 92 -8.464 1.128 -11.801 1.00 0.00 C ATOM 1507 C VAL A 92 -7.876 0.363 -10.622 1.00 0.00 C ATOM 1508 O VAL A 92 -7.442 0.960 -9.643 1.00 0.00 O ATOM 1509 CB VAL A 92 -9.612 2.034 -11.302 1.00 0.00 C ATOM 1510 CG1 VAL A 92 -10.187 2.851 -12.448 1.00 0.00 C ATOM 1511 CG2 VAL A 92 -10.701 1.213 -10.627 1.00 0.00 C ATOM 0 H VAL A 92 -9.853 -0.139 -12.731 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.698 1.764 -12.245 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.202 2.722 -10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.994 3.482 -12.076 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.405 3.477 -12.877 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.575 2.180 -13.214 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.497 1.875 -10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.108 0.494 -11.338 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.280 0.681 -9.774 1.00 0.00 H new ATOM 1521 N LYS A 93 -7.861 -0.960 -10.734 1.00 0.00 N ATOM 1522 CA LYS A 93 -7.334 -1.827 -9.686 1.00 0.00 C ATOM 1523 C LYS A 93 -5.898 -1.440 -9.342 1.00 0.00 C ATOM 1524 O LYS A 93 -5.585 -1.099 -8.200 1.00 0.00 O ATOM 1525 CB LYS A 93 -7.404 -3.289 -10.146 1.00 0.00 C ATOM 1526 CG LYS A 93 -6.993 -4.291 -9.084 1.00 0.00 C ATOM 1527 CD LYS A 93 -7.251 -5.729 -9.521 1.00 0.00 C ATOM 1528 CE LYS A 93 -6.185 -6.260 -10.478 1.00 0.00 C ATOM 1529 NZ LYS A 93 -6.247 -5.636 -11.831 1.00 0.00 N ATOM 0 H LYS A 93 -8.212 -1.461 -11.550 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.939 -1.708 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.423 -3.510 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.762 -3.416 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.934 -4.166 -8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.541 -4.088 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.292 -6.369 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.227 -5.787 -10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.199 -6.083 -10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.300 -7.339 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.742 -6.236 -12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.240 -5.539 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.802 -4.696 -11.801 1.00 0.00 H new ATOM 1543 N GLU A 94 -5.038 -1.475 -10.350 1.00 0.00 N ATOM 1544 CA GLU A 94 -3.645 -1.084 -10.193 1.00 0.00 C ATOM 1545 C GLU A 94 -3.529 0.397 -9.848 1.00 0.00 C ATOM 1546 O GLU A 94 -2.722 0.784 -9.003 1.00 0.00 O ATOM 1547 CB GLU A 94 -2.861 -1.374 -11.478 1.00 0.00 C ATOM 1548 CG GLU A 94 -2.451 -2.831 -11.659 1.00 0.00 C ATOM 1549 CD GLU A 94 -3.617 -3.801 -11.619 1.00 0.00 C ATOM 1550 OE1 GLU A 94 -4.690 -3.490 -12.184 1.00 0.00 O ATOM 1551 OE2 GLU A 94 -3.468 -4.881 -11.013 1.00 0.00 O ATOM 0 H GLU A 94 -5.284 -1.773 -11.294 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.225 -1.668 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.466 -1.072 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.964 -0.754 -11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.933 -2.938 -12.612 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.740 -3.099 -10.878 1.00 0.00 H new ATOM 1558 N GLN A 95 -4.350 1.216 -10.498 1.00 0.00 N ATOM 1559 CA GLN A 95 -4.287 2.665 -10.335 1.00 0.00 C ATOM 1560 C GLN A 95 -4.615 3.084 -8.902 1.00 0.00 C ATOM 1561 O GLN A 95 -3.839 3.799 -8.267 1.00 0.00 O ATOM 1562 CB GLN A 95 -5.252 3.349 -11.303 1.00 0.00 C ATOM 1563 CG GLN A 95 -5.195 4.866 -11.240 1.00 0.00 C ATOM 1564 CD GLN A 95 -6.216 5.532 -12.137 1.00 0.00 C ATOM 1565 OE1 GLN A 95 -6.565 4.871 -13.228 1.00 0.00 O flip ATOM 1566 NE2 GLN A 95 -6.685 6.634 -11.849 1.00 0.00 N flip ATOM 0 H GLN A 95 -5.071 0.899 -11.146 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.266 2.976 -10.556 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.025 3.026 -12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.268 3.021 -11.084 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.358 5.188 -10.211 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.197 5.199 -11.524 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.387 7.108 -10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.372 7.072 -12.463 1.00 0.00 H new ATOM 1575 N VAL A 96 -5.763 2.634 -8.406 1.00 0.00 N ATOM 1576 CA VAL A 96 -6.217 2.987 -7.067 1.00 0.00 C ATOM 1577 C VAL A 96 -5.224 2.525 -6.014 1.00 0.00 C ATOM 1578 O VAL A 96 -4.815 3.303 -5.148 1.00 0.00 O ATOM 1579 CB VAL A 96 -7.603 2.377 -6.751 1.00 0.00 C ATOM 1580 CG1 VAL A 96 -7.933 2.496 -5.265 1.00 0.00 C ATOM 1581 CG2 VAL A 96 -8.683 3.044 -7.590 1.00 0.00 C ATOM 0 H VAL A 96 -6.399 2.020 -8.916 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.297 4.074 -7.042 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.568 1.317 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.913 2.059 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.179 1.967 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.942 3.547 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.651 2.602 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.708 4.111 -7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.465 2.897 -8.648 1.00 0.00 H new ATOM 1591 N MET A 97 -4.819 1.266 -6.104 1.00 0.00 N ATOM 1592 CA MET A 97 -3.964 0.688 -5.088 1.00 0.00 C ATOM 1593 C MET A 97 -2.597 1.359 -5.082 1.00 0.00 C ATOM 1594 O MET A 97 -2.030 1.615 -4.023 1.00 0.00 O ATOM 1595 CB MET A 97 -3.817 -0.820 -5.283 1.00 0.00 C ATOM 1596 CG MET A 97 -3.477 -1.532 -3.990 1.00 0.00 C ATOM 1597 SD MET A 97 -4.728 -1.245 -2.722 1.00 0.00 S ATOM 1598 CE MET A 97 -3.980 -2.029 -1.302 1.00 0.00 C ATOM 0 H MET A 97 -5.068 0.634 -6.864 1.00 0.00 H new ATOM 0 HA MET A 97 -4.437 0.861 -4.121 1.00 0.00 H new ATOM 0 HB2 MET A 97 -4.745 -1.225 -5.686 1.00 0.00 H new ATOM 0 HB3 MET A 97 -3.038 -1.015 -6.020 1.00 0.00 H new ATOM 0 HG2 MET A 97 -3.387 -2.602 -4.177 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.508 -1.188 -3.629 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.736 -2.185 -0.532 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.559 -2.990 -1.597 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.188 -1.391 -0.909 1.00 0.00 H new ATOM 1608 N ARG A 98 -2.077 1.673 -6.265 1.00 0.00 N ATOM 1609 CA ARG A 98 -0.786 2.344 -6.356 1.00 0.00 C ATOM 1610 C ARG A 98 -0.888 3.803 -5.944 1.00 0.00 C ATOM 1611 O ARG A 98 0.105 4.411 -5.559 1.00 0.00 O ATOM 1612 CB ARG A 98 -0.191 2.237 -7.757 1.00 0.00 C ATOM 1613 CG ARG A 98 0.359 0.859 -8.058 1.00 0.00 C ATOM 1614 CD ARG A 98 1.434 0.905 -9.127 1.00 0.00 C ATOM 1615 NE ARG A 98 0.906 1.180 -10.463 1.00 0.00 N ATOM 1616 CZ ARG A 98 1.613 0.988 -11.576 1.00 0.00 C ATOM 1617 NH1 ARG A 98 2.856 0.531 -11.491 1.00 0.00 N ATOM 1618 NH2 ARG A 98 1.085 1.253 -12.762 1.00 0.00 N ATOM 0 H ARG A 98 -2.523 1.477 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.118 1.834 -5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.957 2.486 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.606 2.973 -7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.770 0.424 -7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.451 0.207 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.164 1.672 -8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.964 -0.047 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.047 1.535 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.264 0.329 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.403 0.381 -12.339 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.131 1.607 -12.828 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.633 1.103 -13.609 1.00 0.00 H new ATOM 1632 N LYS A 99 -2.086 4.362 -6.024 1.00 0.00 N ATOM 1633 CA LYS A 99 -2.310 5.733 -5.589 1.00 0.00 C ATOM 1634 C LYS A 99 -2.278 5.805 -4.067 1.00 0.00 C ATOM 1635 O LYS A 99 -1.741 6.751 -3.487 1.00 0.00 O ATOM 1636 CB LYS A 99 -3.643 6.255 -6.136 1.00 0.00 C ATOM 1637 CG LYS A 99 -3.907 7.715 -5.816 1.00 0.00 C ATOM 1638 CD LYS A 99 -5.136 8.226 -6.547 1.00 0.00 C ATOM 1639 CE LYS A 99 -5.427 9.674 -6.195 1.00 0.00 C ATOM 1640 NZ LYS A 99 -6.584 10.211 -6.955 1.00 0.00 N ATOM 0 H LYS A 99 -2.915 3.890 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.515 6.367 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.658 6.121 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.454 5.651 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.044 7.835 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.040 8.313 -6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.986 8.134 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.997 7.608 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.627 9.754 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.545 10.281 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.644 11.240 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.460 10.006 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.460 9.764 -6.616 1.00 0.00 H new ATOM 1654 N ALA A 100 -2.835 4.786 -3.428 1.00 0.00 N ATOM 1655 CA ALA A 100 -2.805 4.681 -1.978 1.00 0.00 C ATOM 1656 C ALA A 100 -1.396 4.341 -1.496 1.00 0.00 C ATOM 1657 O ALA A 100 -0.907 4.908 -0.516 1.00 0.00 O ATOM 1658 CB ALA A 100 -3.805 3.635 -1.506 1.00 0.00 C ATOM 0 H ALA A 100 -3.315 4.017 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.086 5.644 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.773 3.566 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.808 3.922 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.551 2.667 -1.939 1.00 0.00 H new ATOM 1664 N LEU A 101 -0.747 3.420 -2.203 1.00 0.00 N ATOM 1665 CA LEU A 101 0.627 3.036 -1.893 1.00 0.00 C ATOM 1666 C LEU A 101 1.573 4.209 -2.071 1.00 0.00 C ATOM 1667 O LEU A 101 2.460 4.430 -1.242 1.00 0.00 O ATOM 1668 CB LEU A 101 1.073 1.873 -2.776 1.00 0.00 C ATOM 1669 CG LEU A 101 0.428 0.533 -2.444 1.00 0.00 C ATOM 1670 CD1 LEU A 101 0.929 -0.543 -3.394 1.00 0.00 C ATOM 1671 CD2 LEU A 101 0.718 0.160 -0.996 1.00 0.00 C ATOM 0 H LEU A 101 -1.152 2.924 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 101 0.656 2.721 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.852 2.119 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.155 1.769 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.652 0.617 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.460 -1.495 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.676 -0.270 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.011 -0.636 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.253 -0.799 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.795 0.086 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.313 0.926 -0.335 1.00 0.00 H new ATOM 1683 N ARG A 102 1.379 4.953 -3.157 1.00 0.00 N ATOM 1684 CA ARG A 102 2.153 6.155 -3.408 1.00 0.00 C ATOM 1685 C ARG A 102 2.094 7.065 -2.197 1.00 0.00 C ATOM 1686 O ARG A 102 3.119 7.453 -1.661 1.00 0.00 O ATOM 1687 CB ARG A 102 1.617 6.903 -4.630 1.00 0.00 C ATOM 1688 CG ARG A 102 2.319 8.227 -4.892 1.00 0.00 C ATOM 1689 CD ARG A 102 1.590 9.050 -5.943 1.00 0.00 C ATOM 1690 NE ARG A 102 1.601 8.413 -7.261 1.00 0.00 N ATOM 1691 CZ ARG A 102 0.502 8.086 -7.943 1.00 0.00 C ATOM 1692 NH1 ARG A 102 -0.702 8.313 -7.432 1.00 0.00 N ATOM 1693 NH2 ARG A 102 0.607 7.534 -9.145 1.00 0.00 N ATOM 0 H ARG A 102 0.689 4.739 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 102 3.185 5.863 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.721 6.267 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.551 7.087 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.383 8.795 -3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.341 8.039 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.559 9.205 -5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.053 10.034 -6.015 1.00 0.00 H new ATOM 0 HE ARG A 102 2.506 8.206 -7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.793 8.741 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.537 8.060 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.528 7.360 -9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.233 7.284 -9.667 1.00 0.00 H new ATOM 1707 N ALA A 103 0.880 7.358 -1.756 1.00 0.00 N ATOM 1708 CA ALA A 103 0.665 8.280 -0.653 1.00 0.00 C ATOM 1709 C ALA A 103 1.435 7.864 0.599 1.00 0.00 C ATOM 1710 O ALA A 103 2.063 8.698 1.246 1.00 0.00 O ATOM 1711 CB ALA A 103 -0.817 8.397 -0.352 1.00 0.00 C ATOM 0 H ALA A 103 0.024 6.967 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 103 1.047 9.254 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.967 9.090 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.339 8.767 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.212 7.418 -0.081 1.00 0.00 H new ATOM 1717 N LYS A 104 1.411 6.575 0.923 1.00 0.00 N ATOM 1718 CA LYS A 104 2.057 6.093 2.140 1.00 0.00 C ATOM 1719 C LYS A 104 3.566 6.334 2.092 1.00 0.00 C ATOM 1720 O LYS A 104 4.139 6.923 3.012 1.00 0.00 O ATOM 1721 CB LYS A 104 1.769 4.603 2.370 1.00 0.00 C ATOM 1722 CG LYS A 104 2.197 4.125 3.753 1.00 0.00 C ATOM 1723 CD LYS A 104 1.910 2.647 3.979 1.00 0.00 C ATOM 1724 CE LYS A 104 2.761 1.757 3.088 1.00 0.00 C ATOM 1725 NZ LYS A 104 2.669 0.323 3.484 1.00 0.00 N ATOM 0 H LYS A 104 0.956 5.851 0.366 1.00 0.00 H new ATOM 0 HA LYS A 104 1.641 6.657 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.702 4.420 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.287 4.016 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.264 4.308 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.679 4.712 4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.096 2.398 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.855 2.449 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.441 1.869 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.800 2.081 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.750 -0.277 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.439 0.095 4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.754 0.148 3.946 1.00 0.00 H new ATOM 1739 N PHE A 105 4.204 5.889 1.016 1.00 0.00 N ATOM 1740 CA PHE A 105 5.653 6.022 0.887 1.00 0.00 C ATOM 1741 C PHE A 105 6.078 7.441 0.505 1.00 0.00 C ATOM 1742 O PHE A 105 7.173 7.876 0.851 1.00 0.00 O ATOM 1743 CB PHE A 105 6.189 5.021 -0.136 1.00 0.00 C ATOM 1744 CG PHE A 105 6.141 3.600 0.341 1.00 0.00 C ATOM 1745 CD1 PHE A 105 7.129 3.110 1.175 1.00 0.00 C ATOM 1746 CD2 PHE A 105 5.111 2.757 -0.040 1.00 0.00 C ATOM 1747 CE1 PHE A 105 7.096 1.804 1.620 1.00 0.00 C ATOM 1748 CE2 PHE A 105 5.072 1.449 0.401 1.00 0.00 C ATOM 1749 CZ PHE A 105 6.065 0.972 1.234 1.00 0.00 C ATOM 0 H PHE A 105 3.747 5.436 0.225 1.00 0.00 H new ATOM 0 HA PHE A 105 6.081 5.808 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 105 5.611 5.108 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.219 5.280 -0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.937 3.758 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.330 3.126 -0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.876 1.434 2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.265 0.799 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.035 -0.050 1.582 1.00 0.00 H new ATOM 1759 N GLU A 106 5.221 8.164 -0.200 1.00 0.00 N ATOM 1760 CA GLU A 106 5.575 9.491 -0.688 1.00 0.00 C ATOM 1761 C GLU A 106 5.446 10.536 0.416 1.00 0.00 C ATOM 1762 O GLU A 106 6.347 11.354 0.606 1.00 0.00 O ATOM 1763 CB GLU A 106 4.704 9.867 -1.889 1.00 0.00 C ATOM 1764 CG GLU A 106 5.208 11.065 -2.673 1.00 0.00 C ATOM 1765 CD GLU A 106 4.345 12.297 -2.492 1.00 0.00 C ATOM 1766 OE1 GLU A 106 3.151 12.251 -2.853 1.00 0.00 O ATOM 1767 OE2 GLU A 106 4.859 13.324 -1.993 1.00 0.00 O ATOM 0 H GLU A 106 4.280 7.858 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 106 6.617 9.468 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.639 9.010 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.693 10.075 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.227 11.293 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.248 10.809 -3.732 1.00 0.00 H new ATOM 1774 N GLN A 107 4.340 10.503 1.155 1.00 0.00 N ATOM 1775 CA GLN A 107 4.112 11.479 2.216 1.00 0.00 C ATOM 1776 C GLN A 107 5.119 11.295 3.345 1.00 0.00 C ATOM 1777 O GLN A 107 5.620 12.268 3.910 1.00 0.00 O ATOM 1778 CB GLN A 107 2.686 11.374 2.762 1.00 0.00 C ATOM 1779 CG GLN A 107 1.612 11.654 1.722 1.00 0.00 C ATOM 1780 CD GLN A 107 1.752 13.023 1.088 1.00 0.00 C ATOM 1781 OE1 GLN A 107 2.220 13.971 1.719 1.00 0.00 O ATOM 1782 NE2 GLN A 107 1.350 13.134 -0.166 1.00 0.00 N ATOM 0 H GLN A 107 3.594 9.817 1.040 1.00 0.00 H new ATOM 0 HA GLN A 107 4.245 12.472 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 107 2.534 10.374 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.570 12.075 3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.658 10.892 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.630 11.573 2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.968 12.323 -0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.422 14.031 -0.647 1.00 0.00 H new ATOM 1791 N HIS A 108 5.426 10.046 3.658 1.00 0.00 N ATOM 1792 CA HIS A 108 6.398 9.744 4.694 1.00 0.00 C ATOM 1793 C HIS A 108 7.730 9.357 4.075 1.00 0.00 C ATOM 1794 O HIS A 108 7.915 8.223 3.634 1.00 0.00 O ATOM 1795 CB HIS A 108 5.893 8.630 5.612 1.00 0.00 C ATOM 1796 CG HIS A 108 4.885 9.099 6.613 1.00 0.00 C ATOM 1797 ND1 HIS A 108 5.220 9.454 7.898 1.00 0.00 N ATOM 1798 CD2 HIS A 108 3.549 9.288 6.506 1.00 0.00 C ATOM 1799 CE1 HIS A 108 4.135 9.846 8.540 1.00 0.00 C ATOM 1800 NE2 HIS A 108 3.103 9.757 7.718 1.00 0.00 N ATOM 0 H HIS A 108 5.016 9.227 3.209 1.00 0.00 H new ATOM 0 HA HIS A 108 6.540 10.641 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 108 5.451 7.840 5.004 1.00 0.00 H new ATOM 0 HB3 HIS A 108 6.740 8.191 6.138 1.00 0.00 H new ATOM 0 HD1 HIS A 108 6.160 9.420 8.294 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.945 9.104 5.630 1.00 0.00 H new ATOM 0 HE1 HIS A 108 4.097 10.183 9.565 1.00 0.00 H new ATOM 1809 N ALA A 109 8.655 10.312 4.049 1.00 0.00 N ATOM 1810 CA ALA A 109 9.971 10.102 3.455 1.00 0.00 C ATOM 1811 C ALA A 109 10.733 9.001 4.184 1.00 0.00 C ATOM 1812 O ALA A 109 11.649 8.393 3.625 1.00 0.00 O ATOM 1813 CB ALA A 109 10.769 11.396 3.463 1.00 0.00 C ATOM 0 H ALA A 109 8.515 11.246 4.436 1.00 0.00 H new ATOM 0 HA ALA A 109 9.829 9.785 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.748 11.222 3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.238 12.155 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.894 11.740 4.490 1.00 0.00 H new ATOM 1819 N GLU A 110 10.349 8.757 5.432 1.00 0.00 N ATOM 1820 CA GLU A 110 10.911 7.670 6.221 1.00 0.00 C ATOM 1821 C GLU A 110 10.724 6.344 5.487 1.00 0.00 C ATOM 1822 O GLU A 110 11.670 5.575 5.307 1.00 0.00 O ATOM 1823 CB GLU A 110 10.234 7.580 7.595 1.00 0.00 C ATOM 1824 CG GLU A 110 10.101 8.908 8.331 1.00 0.00 C ATOM 1825 CD GLU A 110 8.875 9.696 7.907 1.00 0.00 C ATOM 1826 OE1 GLU A 110 7.785 9.461 8.467 1.00 0.00 O ATOM 1827 OE2 GLU A 110 8.990 10.556 7.006 1.00 0.00 O ATOM 0 H GLU A 110 9.642 9.305 5.922 1.00 0.00 H new ATOM 0 HA GLU A 110 11.973 7.872 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.240 7.151 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 110 10.802 6.890 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.053 8.720 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 110 10.993 9.508 8.152 1.00 0.00 H new ATOM 1834 N LEU A 111 9.495 6.105 5.043 1.00 0.00 N ATOM 1835 CA LEU A 111 9.147 4.870 4.352 1.00 0.00 C ATOM 1836 C LEU A 111 9.701 4.894 2.935 1.00 0.00 C ATOM 1837 O LEU A 111 10.094 3.867 2.389 1.00 0.00 O ATOM 1838 CB LEU A 111 7.625 4.700 4.317 1.00 0.00 C ATOM 1839 CG LEU A 111 6.926 4.830 5.672 1.00 0.00 C ATOM 1840 CD1 LEU A 111 5.423 4.660 5.515 1.00 0.00 C ATOM 1841 CD2 LEU A 111 7.480 3.817 6.662 1.00 0.00 C ATOM 0 H LEU A 111 8.718 6.757 5.151 1.00 0.00 H new ATOM 0 HA LEU A 111 9.584 4.028 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.208 5.443 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.394 3.720 3.899 1.00 0.00 H new ATOM 0 HG LEU A 111 7.120 5.829 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.942 4.755 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.038 5.428 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.210 3.675 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.969 3.927 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.321 2.809 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.548 3.988 6.799 1.00 0.00 H new ATOM 1853 N ARG A 112 9.724 6.088 2.356 1.00 0.00 N ATOM 1854 CA ARG A 112 10.268 6.309 1.018 1.00 0.00 C ATOM 1855 C ARG A 112 11.700 5.779 0.934 1.00 0.00 C ATOM 1856 O ARG A 112 12.045 5.003 0.040 1.00 0.00 O ATOM 1857 CB ARG A 112 10.255 7.811 0.720 1.00 0.00 C ATOM 1858 CG ARG A 112 10.051 8.191 -0.739 1.00 0.00 C ATOM 1859 CD ARG A 112 10.041 9.705 -0.874 1.00 0.00 C ATOM 1860 NE ARG A 112 9.514 10.179 -2.153 1.00 0.00 N ATOM 1861 CZ ARG A 112 8.848 11.328 -2.283 1.00 0.00 C ATOM 1862 NH1 ARG A 112 8.621 12.091 -1.220 1.00 0.00 N ATOM 1863 NH2 ARG A 112 8.412 11.724 -3.468 1.00 0.00 N ATOM 0 H ARG A 112 9.366 6.933 2.800 1.00 0.00 H new ATOM 0 HA ARG A 112 9.658 5.779 0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.464 8.273 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 112 11.198 8.239 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.847 7.766 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 112 9.112 7.777 -1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 112 9.444 10.129 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 112 11.057 10.078 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 112 9.662 9.605 -2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.956 11.799 -0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.112 12.969 -1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.584 11.149 -4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.904 12.604 -3.556 1.00 0.00 H new ATOM 1877 N ALA A 113 12.521 6.197 1.892 1.00 0.00 N ATOM 1878 CA ALA A 113 13.918 5.786 1.946 1.00 0.00 C ATOM 1879 C ALA A 113 14.035 4.297 2.259 1.00 0.00 C ATOM 1880 O ALA A 113 14.908 3.610 1.732 1.00 0.00 O ATOM 1881 CB ALA A 113 14.671 6.608 2.983 1.00 0.00 C ATOM 0 H ALA A 113 12.240 6.824 2.646 1.00 0.00 H new ATOM 0 HA ALA A 113 14.364 5.963 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 113 15.713 6.290 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.621 7.664 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 113 14.219 6.459 3.963 1.00 0.00 H new ATOM 1887 N LEU A 114 13.143 3.806 3.111 1.00 0.00 N ATOM 1888 CA LEU A 114 13.139 2.398 3.497 1.00 0.00 C ATOM 1889 C LEU A 114 12.813 1.511 2.293 1.00 0.00 C ATOM 1890 O LEU A 114 13.432 0.467 2.090 1.00 0.00 O ATOM 1891 CB LEU A 114 12.129 2.171 4.628 1.00 0.00 C ATOM 1892 CG LEU A 114 12.092 0.757 5.207 1.00 0.00 C ATOM 1893 CD1 LEU A 114 13.463 0.352 5.730 1.00 0.00 C ATOM 1894 CD2 LEU A 114 11.050 0.669 6.311 1.00 0.00 C ATOM 0 H LEU A 114 12.410 4.364 3.550 1.00 0.00 H new ATOM 0 HA LEU A 114 14.132 2.127 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.352 2.869 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.134 2.419 4.258 1.00 0.00 H new ATOM 0 HG LEU A 114 11.816 0.065 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 114 13.413 -0.658 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 114 14.186 0.379 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 114 13.773 1.044 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 114 11.033 -0.343 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 114 11.300 1.373 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 114 10.068 0.914 5.905 1.00 0.00 H new ATOM 1906 N LEU A 115 11.857 1.956 1.487 1.00 0.00 N ATOM 1907 CA LEU A 115 11.466 1.248 0.273 1.00 0.00 C ATOM 1908 C LEU A 115 12.627 1.206 -0.721 1.00 0.00 C ATOM 1909 O LEU A 115 12.797 0.235 -1.467 1.00 0.00 O ATOM 1910 CB LEU A 115 10.251 1.939 -0.357 1.00 0.00 C ATOM 1911 CG LEU A 115 9.646 1.242 -1.576 1.00 0.00 C ATOM 1912 CD1 LEU A 115 9.134 -0.139 -1.205 1.00 0.00 C ATOM 1913 CD2 LEU A 115 8.521 2.087 -2.159 1.00 0.00 C ATOM 0 H LEU A 115 11.332 2.814 1.655 1.00 0.00 H new ATOM 0 HA LEU A 115 11.201 0.223 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.477 2.035 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.541 2.949 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 115 10.424 1.126 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.707 -0.618 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.959 -0.743 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.368 -0.048 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.098 1.581 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.745 2.228 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.914 3.058 -2.461 1.00 0.00 H new ATOM 1925 N LEU A 116 13.429 2.262 -0.725 1.00 0.00 N ATOM 1926 CA LEU A 116 14.596 2.332 -1.594 1.00 0.00 C ATOM 1927 C LEU A 116 15.776 1.568 -0.995 1.00 0.00 C ATOM 1928 O LEU A 116 16.749 1.269 -1.690 1.00 0.00 O ATOM 1929 CB LEU A 116 14.990 3.789 -1.845 1.00 0.00 C ATOM 1930 CG LEU A 116 13.920 4.635 -2.536 1.00 0.00 C ATOM 1931 CD1 LEU A 116 14.428 6.044 -2.786 1.00 0.00 C ATOM 1932 CD2 LEU A 116 13.496 3.987 -3.839 1.00 0.00 C ATOM 0 H LEU A 116 13.293 3.083 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 116 14.333 1.866 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.239 4.253 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.895 3.806 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 116 13.053 4.696 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.651 6.629 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.687 6.511 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.311 6.005 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.734 4.601 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.359 3.898 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.090 2.996 -3.637 1.00 0.00 H new ATOM 1944 N ALA A 117 15.681 1.247 0.288 1.00 0.00 N ATOM 1945 CA ALA A 117 16.743 0.526 0.979 1.00 0.00 C ATOM 1946 C ALA A 117 16.578 -0.981 0.822 1.00 0.00 C ATOM 1947 O ALA A 117 17.559 -1.720 0.814 1.00 0.00 O ATOM 1948 CB ALA A 117 16.771 0.905 2.452 1.00 0.00 C ATOM 0 H ALA A 117 14.877 1.475 0.873 1.00 0.00 H new ATOM 0 HA ALA A 117 17.692 0.810 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 117 17.569 0.358 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 117 16.949 1.976 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 117 15.815 0.653 2.911 1.00 0.00 H new ATOM 1954 N THR A 118 15.333 -1.433 0.700 1.00 0.00 N ATOM 1955 CA THR A 118 15.056 -2.853 0.528 1.00 0.00 C ATOM 1956 C THR A 118 15.452 -3.326 -0.867 1.00 0.00 C ATOM 1957 O THR A 118 15.727 -4.503 -1.069 1.00 0.00 O ATOM 1958 CB THR A 118 13.571 -3.173 0.785 1.00 0.00 C ATOM 1959 OG1 THR A 118 12.738 -2.241 0.081 1.00 0.00 O ATOM 1960 CG2 THR A 118 13.263 -3.114 2.273 1.00 0.00 C ATOM 0 H THR A 118 14.504 -0.838 0.717 1.00 0.00 H new ATOM 0 HA THR A 118 15.657 -3.387 1.264 1.00 0.00 H new ATOM 0 HB THR A 118 13.368 -4.181 0.424 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.796 -2.453 0.249 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.210 -3.343 2.436 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.878 -3.842 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 118 13.480 -2.115 2.650 1.00 0.00 H new ATOM 1968 N ALA A 119 15.453 -2.400 -1.823 1.00 0.00 N ATOM 1969 CA ALA A 119 15.944 -2.658 -3.177 1.00 0.00 C ATOM 1970 C ALA A 119 17.218 -3.509 -3.177 1.00 0.00 C ATOM 1971 O ALA A 119 18.158 -3.219 -2.438 1.00 0.00 O ATOM 1972 CB ALA A 119 16.228 -1.334 -3.863 1.00 0.00 C ATOM 0 H ALA A 119 15.113 -1.449 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 119 15.174 -3.214 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.594 -1.519 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.312 -0.745 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 119 16.982 -0.786 -3.298 1.00 0.00 H new ATOM 1978 N PRO A 120 17.285 -4.560 -4.016 1.00 0.00 N ATOM 1979 CA PRO A 120 16.217 -4.969 -4.922 1.00 0.00 C ATOM 1980 C PRO A 120 15.415 -6.162 -4.394 1.00 0.00 C ATOM 1981 O PRO A 120 14.919 -6.975 -5.175 1.00 0.00 O ATOM 1982 CB PRO A 120 17.032 -5.388 -6.141 1.00 0.00 C ATOM 1983 CG PRO A 120 18.247 -6.043 -5.559 1.00 0.00 C ATOM 1984 CD PRO A 120 18.460 -5.426 -4.192 1.00 0.00 C ATOM 0 HA PRO A 120 15.471 -4.192 -5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 120 16.474 -6.076 -6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.298 -4.529 -6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.105 -7.121 -5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.117 -5.882 -6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 120 18.517 -6.187 -3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 120 19.388 -4.856 -4.150 1.00 0.00 H new ATOM 1992 N ALA A 121 15.296 -6.266 -3.076 1.00 0.00 N ATOM 1993 CA ALA A 121 14.599 -7.387 -2.452 1.00 0.00 C ATOM 1994 C ALA A 121 13.142 -7.462 -2.897 1.00 0.00 C ATOM 1995 O ALA A 121 12.476 -6.437 -3.060 1.00 0.00 O ATOM 1996 CB ALA A 121 14.685 -7.288 -0.935 1.00 0.00 C ATOM 0 H ALA A 121 15.674 -5.586 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 121 15.092 -8.304 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 121 14.161 -8.131 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.731 -7.305 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 121 14.225 -6.357 -0.605 1.00 0.00 H new ATOM 2002 N LYS A 122 12.654 -8.681 -3.090 1.00 0.00 N ATOM 2003 CA LYS A 122 11.300 -8.897 -3.557 1.00 0.00 C ATOM 2004 C LYS A 122 10.333 -8.871 -2.380 1.00 0.00 C ATOM 2005 O LYS A 122 10.385 -9.731 -1.496 1.00 0.00 O ATOM 2006 CB LYS A 122 11.230 -10.224 -4.313 1.00 0.00 C ATOM 2007 CG LYS A 122 9.914 -10.471 -5.030 1.00 0.00 C ATOM 2008 CD LYS A 122 10.128 -11.312 -6.279 1.00 0.00 C ATOM 2009 CE LYS A 122 10.772 -12.649 -5.953 1.00 0.00 C ATOM 2010 NZ LYS A 122 11.446 -13.239 -7.138 1.00 0.00 N ATOM 0 H LYS A 122 13.184 -9.537 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 122 11.011 -8.099 -4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 122 12.039 -10.255 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 122 11.405 -11.038 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.219 -10.977 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.458 -9.519 -5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 122 9.171 -11.480 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.758 -10.766 -6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 122 11.497 -12.517 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 122 10.012 -13.339 -5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.873 -14.150 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 10.749 -13.388 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 12.188 -12.592 -7.473 1.00 0.00 H new ATOM 2024 N LEU A 123 9.471 -7.864 -2.366 1.00 0.00 N ATOM 2025 CA LEU A 123 8.551 -7.653 -1.258 1.00 0.00 C ATOM 2026 C LEU A 123 7.327 -8.558 -1.390 1.00 0.00 C ATOM 2027 O LEU A 123 6.565 -8.455 -2.354 1.00 0.00 O ATOM 2028 CB LEU A 123 8.123 -6.179 -1.206 1.00 0.00 C ATOM 2029 CG LEU A 123 9.268 -5.162 -1.262 1.00 0.00 C ATOM 2030 CD1 LEU A 123 8.720 -3.745 -1.264 1.00 0.00 C ATOM 2031 CD2 LEU A 123 10.234 -5.360 -0.100 1.00 0.00 C ATOM 0 H LEU A 123 9.390 -7.176 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 123 9.062 -7.907 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.446 -5.985 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.557 -6.014 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 123 9.819 -5.324 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.546 -3.035 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.078 -3.604 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.141 -3.577 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.036 -4.625 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.701 -5.233 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.657 -6.364 -0.145 1.00 0.00 H new ATOM 2043 N VAL A 124 7.155 -9.456 -0.427 1.00 0.00 N ATOM 2044 CA VAL A 124 6.029 -10.384 -0.431 1.00 0.00 C ATOM 2045 C VAL A 124 5.300 -10.354 0.908 1.00 0.00 C ATOM 2046 O VAL A 124 5.879 -10.691 1.945 1.00 0.00 O ATOM 2047 CB VAL A 124 6.492 -11.833 -0.721 1.00 0.00 C ATOM 2048 CG1 VAL A 124 5.315 -12.798 -0.695 1.00 0.00 C ATOM 2049 CG2 VAL A 124 7.216 -11.918 -2.057 1.00 0.00 C ATOM 0 H VAL A 124 7.783 -9.562 0.370 1.00 0.00 H new ATOM 0 HA VAL A 124 5.352 -10.064 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 124 7.189 -12.120 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.668 -13.808 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.845 -12.772 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.588 -12.506 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 124 7.530 -12.946 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 124 6.545 -11.600 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 124 8.092 -11.269 -2.038 1.00 0.00 H new ATOM 2059 N GLU A 125 4.041 -9.940 0.888 1.00 0.00 N ATOM 2060 CA GLU A 125 3.217 -9.955 2.090 1.00 0.00 C ATOM 2061 C GLU A 125 2.540 -11.319 2.203 1.00 0.00 C ATOM 2062 O GLU A 125 1.916 -11.786 1.248 1.00 0.00 O ATOM 2063 CB GLU A 125 2.175 -8.828 2.051 1.00 0.00 C ATOM 2064 CG GLU A 125 1.447 -8.618 3.372 1.00 0.00 C ATOM 2065 CD GLU A 125 0.407 -7.513 3.306 1.00 0.00 C ATOM 2066 OE1 GLU A 125 -0.744 -7.807 2.926 1.00 0.00 O ATOM 2067 OE2 GLU A 125 0.737 -6.349 3.640 1.00 0.00 O ATOM 0 H GLU A 125 3.568 -9.590 0.055 1.00 0.00 H new ATOM 0 HA GLU A 125 3.845 -9.787 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 125 2.669 -7.899 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 125 1.443 -9.050 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 125 0.962 -9.549 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 125 2.175 -8.379 4.148 1.00 0.00 H new ATOM 2074 N HIS A 126 2.661 -11.965 3.355 1.00 0.00 N ATOM 2075 CA HIS A 126 2.215 -13.342 3.474 1.00 0.00 C ATOM 2076 C HIS A 126 0.823 -13.392 4.070 1.00 0.00 C ATOM 2077 O HIS A 126 0.636 -13.727 5.240 1.00 0.00 O ATOM 2078 CB HIS A 126 3.201 -14.161 4.316 1.00 0.00 C ATOM 2079 CG HIS A 126 2.831 -15.609 4.463 1.00 0.00 C ATOM 2080 ND1 HIS A 126 2.213 -16.337 3.468 1.00 0.00 N ATOM 2081 CD2 HIS A 126 2.993 -16.463 5.501 1.00 0.00 C ATOM 2082 CE1 HIS A 126 2.013 -17.570 3.885 1.00 0.00 C ATOM 2083 NE2 HIS A 126 2.477 -17.673 5.113 1.00 0.00 N ATOM 0 H HIS A 126 3.057 -11.565 4.205 1.00 0.00 H new ATOM 0 HA HIS A 126 2.179 -13.783 2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 126 4.190 -14.095 3.863 1.00 0.00 H new ATOM 0 HB3 HIS A 126 3.274 -13.714 5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 126 3.444 -16.234 6.455 1.00 0.00 H new ATOM 0 HE1 HIS A 126 1.548 -18.362 3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 126 2.456 -18.518 5.684 1.00 0.00 H new ATOM 2092 N THR A 127 -0.149 -13.091 3.240 1.00 0.00 N ATOM 2093 CA THR A 127 -1.526 -13.039 3.667 1.00 0.00 C ATOM 2094 C THR A 127 -2.269 -14.273 3.175 1.00 0.00 C ATOM 2095 O THR A 127 -2.639 -14.373 2.008 1.00 0.00 O ATOM 2096 CB THR A 127 -2.192 -11.743 3.169 1.00 0.00 C ATOM 2097 OG1 THR A 127 -1.443 -10.616 3.648 1.00 0.00 O ATOM 2098 CG2 THR A 127 -3.623 -11.642 3.661 1.00 0.00 C ATOM 0 H THR A 127 -0.007 -12.876 2.253 1.00 0.00 H new ATOM 0 HA THR A 127 -1.565 -13.033 4.756 1.00 0.00 H new ATOM 0 HB THR A 127 -2.204 -11.754 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 127 -1.022 -10.843 4.503 1.00 0.00 H new ATOM 0 HG21 THR A 127 -4.069 -10.717 3.295 1.00 0.00 H new ATOM 0 HG22 THR A 127 -4.196 -12.493 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 127 -3.634 -11.643 4.751 1.00 0.00 H new ATOM 2106 N GLU A 128 -2.451 -15.221 4.081 1.00 0.00 N ATOM 2107 CA GLU A 128 -3.026 -16.517 3.753 1.00 0.00 C ATOM 2108 C GLU A 128 -4.549 -16.476 3.777 1.00 0.00 C ATOM 2109 O GLU A 128 -5.207 -17.025 2.892 1.00 0.00 O ATOM 2110 CB GLU A 128 -2.511 -17.556 4.751 1.00 0.00 C ATOM 2111 CG GLU A 128 -3.166 -18.917 4.629 1.00 0.00 C ATOM 2112 CD GLU A 128 -2.742 -19.847 5.742 1.00 0.00 C ATOM 2113 OE1 GLU A 128 -3.166 -19.631 6.894 1.00 0.00 O ATOM 2114 OE2 GLU A 128 -1.962 -20.782 5.475 1.00 0.00 O ATOM 0 H GLU A 128 -2.204 -15.114 5.065 1.00 0.00 H new ATOM 0 HA GLU A 128 -2.723 -16.787 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -1.435 -17.670 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -2.667 -17.180 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -4.250 -18.801 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -2.907 -19.360 3.667 1.00 0.00 H new ATOM 2121 N ASN A 129 -5.100 -15.828 4.794 1.00 0.00 N ATOM 2122 CA ASN A 129 -6.544 -15.772 4.970 1.00 0.00 C ATOM 2123 C ASN A 129 -7.207 -15.055 3.799 1.00 0.00 C ATOM 2124 O ASN A 129 -8.124 -15.588 3.175 1.00 0.00 O ATOM 2125 CB ASN A 129 -6.896 -15.074 6.285 1.00 0.00 C ATOM 2126 CG ASN A 129 -8.384 -15.114 6.589 1.00 0.00 C ATOM 2127 OD1 ASN A 129 -9.062 -16.148 6.109 1.00 0.00 O flip ATOM 2128 ND2 ASN A 129 -8.919 -14.226 7.249 1.00 0.00 N flip ATOM 0 H ASN A 129 -4.568 -15.333 5.510 1.00 0.00 H new ATOM 0 HA ASN A 129 -6.920 -16.794 5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -6.350 -15.548 7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -6.566 -14.036 6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -8.363 -13.447 7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -9.919 -14.268 7.445 1.00 0.00 H new ATOM 2135 N ASP A 130 -6.734 -13.856 3.501 1.00 0.00 N ATOM 2136 CA ASP A 130 -7.273 -13.078 2.395 1.00 0.00 C ATOM 2137 C ASP A 130 -6.330 -13.122 1.203 1.00 0.00 C ATOM 2138 O ASP A 130 -5.319 -12.422 1.173 1.00 0.00 O ATOM 2139 CB ASP A 130 -7.513 -11.622 2.812 1.00 0.00 C ATOM 2140 CG ASP A 130 -8.595 -11.483 3.864 1.00 0.00 C ATOM 2141 OD1 ASP A 130 -8.276 -11.556 5.068 1.00 0.00 O ATOM 2142 OD2 ASP A 130 -9.773 -11.293 3.489 1.00 0.00 O ATOM 0 H ASP A 130 -5.977 -13.399 4.009 1.00 0.00 H new ATOM 0 HA ASP A 130 -8.228 -13.520 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -6.584 -11.201 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -7.789 -11.038 1.934 1.00 0.00 H new ATOM 2147 N ALA A 131 -6.644 -13.957 0.228 1.00 0.00 N ATOM 2148 CA ALA A 131 -5.822 -14.051 -0.967 1.00 0.00 C ATOM 2149 C ALA A 131 -6.103 -12.875 -1.900 1.00 0.00 C ATOM 2150 O ALA A 131 -6.930 -12.971 -2.812 1.00 0.00 O ATOM 2151 CB ALA A 131 -6.067 -15.371 -1.683 1.00 0.00 C ATOM 0 H ALA A 131 -7.455 -14.575 0.239 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.774 -14.013 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.443 -15.422 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.818 -16.198 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.116 -15.440 -1.970 1.00 0.00 H new ATOM 2157 N TYR A 132 -5.417 -11.767 -1.653 1.00 0.00 N ATOM 2158 CA TYR A 132 -5.580 -10.556 -2.445 1.00 0.00 C ATOM 2159 C TYR A 132 -4.486 -9.564 -2.068 1.00 0.00 C ATOM 2160 O TYR A 132 -4.387 -9.166 -0.910 1.00 0.00 O ATOM 2161 CB TYR A 132 -6.961 -9.940 -2.195 1.00 0.00 C ATOM 2162 CG TYR A 132 -7.496 -9.129 -3.355 1.00 0.00 C ATOM 2163 CD1 TYR A 132 -7.129 -7.803 -3.539 1.00 0.00 C ATOM 2164 CD2 TYR A 132 -8.382 -9.695 -4.264 1.00 0.00 C ATOM 2165 CE1 TYR A 132 -7.625 -7.067 -4.598 1.00 0.00 C ATOM 2166 CE2 TYR A 132 -8.883 -8.965 -5.324 1.00 0.00 C ATOM 2167 CZ TYR A 132 -8.502 -7.651 -5.486 1.00 0.00 C ATOM 2168 OH TYR A 132 -9.002 -6.922 -6.539 1.00 0.00 O ATOM 0 H TYR A 132 -4.734 -11.683 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 132 -5.501 -10.801 -3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -7.667 -10.739 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -6.908 -9.301 -1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -6.445 -7.339 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -8.684 -10.724 -4.139 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -7.326 -6.037 -4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.569 -9.422 -6.022 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.605 -7.484 -7.069 1.00 0.00 H new ATOM 2178 N TRP A 133 -3.656 -9.208 -3.047 1.00 0.00 N ATOM 2179 CA TRP A 133 -2.527 -8.292 -2.846 1.00 0.00 C ATOM 2180 C TRP A 133 -1.408 -8.948 -2.035 1.00 0.00 C ATOM 2181 O TRP A 133 -0.452 -8.289 -1.632 1.00 0.00 O ATOM 2182 CB TRP A 133 -2.965 -6.979 -2.182 1.00 0.00 C ATOM 2183 CG TRP A 133 -3.790 -6.087 -3.065 1.00 0.00 C ATOM 2184 CD1 TRP A 133 -4.874 -5.346 -2.691 1.00 0.00 C ATOM 2185 CD2 TRP A 133 -3.599 -5.835 -4.465 1.00 0.00 C ATOM 2186 NE1 TRP A 133 -5.362 -4.646 -3.766 1.00 0.00 N ATOM 2187 CE2 TRP A 133 -4.600 -4.930 -4.865 1.00 0.00 C ATOM 2188 CE3 TRP A 133 -2.679 -6.282 -5.419 1.00 0.00 C ATOM 2189 CZ2 TRP A 133 -4.708 -4.468 -6.172 1.00 0.00 C ATOM 2190 CZ3 TRP A 133 -2.789 -5.822 -6.717 1.00 0.00 C ATOM 2191 CH2 TRP A 133 -3.796 -4.921 -7.082 1.00 0.00 C ATOM 0 H TRP A 133 -3.745 -9.546 -4.005 1.00 0.00 H new ATOM 0 HA TRP A 133 -2.139 -8.055 -3.837 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -3.537 -7.212 -1.284 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -2.077 -6.433 -1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -5.288 -5.315 -1.694 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -6.164 -4.016 -3.748 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -1.897 -6.974 -5.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -5.486 -3.775 -6.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -2.086 -6.163 -7.463 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -3.853 -4.577 -8.104 1.00 0.00 H new ATOM 2202 N GLY A 134 -1.511 -10.250 -1.834 1.00 0.00 N ATOM 2203 CA GLY A 134 -0.498 -10.964 -1.087 1.00 0.00 C ATOM 2204 C GLY A 134 -0.140 -12.269 -1.754 1.00 0.00 C ATOM 2205 O GLY A 134 -0.301 -12.415 -2.961 1.00 0.00 O ATOM 0 H GLY A 134 -2.279 -10.828 -2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 134 0.394 -10.344 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -0.857 -11.157 -0.076 1.00 0.00 H new ATOM 2209 N ASP A 135 0.328 -13.231 -0.986 1.00 0.00 N ATOM 2210 CA ASP A 135 0.688 -14.519 -1.561 1.00 0.00 C ATOM 2211 C ASP A 135 -0.508 -15.461 -1.509 1.00 0.00 C ATOM 2212 O ASP A 135 -0.522 -16.513 -2.146 1.00 0.00 O ATOM 2213 CB ASP A 135 1.883 -15.135 -0.830 1.00 0.00 C ATOM 2214 CG ASP A 135 1.489 -15.819 0.459 1.00 0.00 C ATOM 2215 OD1 ASP A 135 1.052 -15.129 1.398 1.00 0.00 O ATOM 2216 OD2 ASP A 135 1.607 -17.054 0.541 1.00 0.00 O ATOM 0 H ASP A 135 0.468 -13.153 0.021 1.00 0.00 H new ATOM 0 HA ASP A 135 0.976 -14.363 -2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.372 -15.857 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.613 -14.355 -0.614 1.00 0.00 H new ATOM 2221 N GLY A 136 -1.514 -15.077 -0.737 1.00 0.00 N ATOM 2222 CA GLY A 136 -2.715 -15.877 -0.621 1.00 0.00 C ATOM 2223 C GLY A 136 -2.517 -17.077 0.279 1.00 0.00 C ATOM 2224 O GLY A 136 -3.438 -17.857 0.499 1.00 0.00 O ATOM 0 H GLY A 136 -1.519 -14.219 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -3.524 -15.260 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -3.022 -16.214 -1.611 1.00 0.00 H new ATOM 2228 N GLY A 137 -1.313 -17.213 0.806 1.00 0.00 N ATOM 2229 CA GLY A 137 -0.982 -18.345 1.650 1.00 0.00 C ATOM 2230 C GLY A 137 -0.639 -19.588 0.854 1.00 0.00 C ATOM 2231 O GLY A 137 -0.615 -20.691 1.404 1.00 0.00 O ATOM 0 H GLY A 137 -0.549 -16.553 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -0.138 -18.083 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.824 -18.561 2.308 1.00 0.00 H new ATOM 2235 N HIS A 138 -0.363 -19.419 -0.440 1.00 0.00 N ATOM 2236 CA HIS A 138 -0.075 -20.561 -1.315 1.00 0.00 C ATOM 2237 C HIS A 138 0.495 -20.140 -2.675 1.00 0.00 C ATOM 2238 O HIS A 138 1.190 -20.923 -3.321 1.00 0.00 O ATOM 2239 CB HIS A 138 -1.314 -21.462 -1.512 1.00 0.00 C ATOM 2240 CG HIS A 138 -2.620 -20.737 -1.685 1.00 0.00 C ATOM 2241 ND1 HIS A 138 -3.012 -20.144 -2.864 1.00 0.00 N ATOM 2242 CD2 HIS A 138 -3.623 -20.512 -0.805 1.00 0.00 C ATOM 2243 CE1 HIS A 138 -4.193 -19.580 -2.702 1.00 0.00 C ATOM 2244 NE2 HIS A 138 -4.588 -19.791 -1.463 1.00 0.00 N ATOM 0 H HIS A 138 -0.332 -18.511 -0.904 1.00 0.00 H new ATOM 0 HA HIS A 138 0.695 -21.138 -0.802 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -1.149 -22.091 -2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -1.399 -22.127 -0.652 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -3.658 -20.839 0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -4.743 -19.037 -3.457 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -5.468 -19.471 -1.058 1.00 0.00 H new ATOM 2253 N GLY A 139 0.209 -18.919 -3.118 1.00 0.00 N ATOM 2254 CA GLY A 139 0.745 -18.456 -4.389 1.00 0.00 C ATOM 2255 C GLY A 139 -0.253 -17.623 -5.171 1.00 0.00 C ATOM 2256 O GLY A 139 0.062 -16.522 -5.626 1.00 0.00 O ATOM 0 H GLY A 139 -0.379 -18.246 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 139 1.643 -17.866 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 139 1.044 -19.316 -4.988 1.00 0.00 H new ATOM 2260 N LYS A 140 -1.464 -18.145 -5.311 1.00 0.00 N ATOM 2261 CA LYS A 140 -2.530 -17.458 -6.030 1.00 0.00 C ATOM 2262 C LYS A 140 -3.213 -16.452 -5.117 1.00 0.00 C ATOM 2263 O LYS A 140 -4.391 -16.581 -4.792 1.00 0.00 O ATOM 2264 CB LYS A 140 -3.568 -18.453 -6.556 1.00 0.00 C ATOM 2265 CG LYS A 140 -3.015 -19.490 -7.518 1.00 0.00 C ATOM 2266 CD LYS A 140 -4.116 -20.420 -7.998 1.00 0.00 C ATOM 2267 CE LYS A 140 -3.580 -21.514 -8.905 1.00 0.00 C ATOM 2268 NZ LYS A 140 -4.672 -22.388 -9.408 1.00 0.00 N ATOM 0 H LYS A 140 -1.735 -19.052 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 140 -2.083 -16.939 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.022 -18.967 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.363 -17.899 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.555 -18.992 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.233 -20.068 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.610 -20.872 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.871 -19.843 -8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.055 -21.065 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -2.853 -22.116 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -4.272 -23.124 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.157 -22.835 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -5.353 -21.817 -9.948 1.00 0.00 H new ATOM 2282 N GLY A 141 -2.449 -15.476 -4.678 1.00 0.00 N ATOM 2283 CA GLY A 141 -2.996 -14.430 -3.834 1.00 0.00 C ATOM 2284 C GLY A 141 -2.790 -13.047 -4.408 1.00 0.00 C ATOM 2285 O GLY A 141 -3.067 -12.052 -3.741 1.00 0.00 O ATOM 0 H GLY A 141 -1.455 -15.382 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -4.063 -14.604 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.531 -14.483 -2.850 1.00 0.00 H new ATOM 2289 N LYS A 142 -2.315 -12.990 -5.653 1.00 0.00 N ATOM 2290 CA LYS A 142 -2.111 -11.723 -6.361 1.00 0.00 C ATOM 2291 C LYS A 142 -1.074 -10.851 -5.649 1.00 0.00 C ATOM 2292 O LYS A 142 -1.386 -9.755 -5.190 1.00 0.00 O ATOM 2293 CB LYS A 142 -3.436 -10.954 -6.485 1.00 0.00 C ATOM 2294 CG LYS A 142 -4.561 -11.752 -7.128 1.00 0.00 C ATOM 2295 CD LYS A 142 -5.897 -11.041 -6.976 1.00 0.00 C ATOM 2296 CE LYS A 142 -7.042 -11.856 -7.561 1.00 0.00 C ATOM 2297 NZ LYS A 142 -7.167 -13.193 -6.918 1.00 0.00 N ATOM 0 H LYS A 142 -2.062 -13.815 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 142 -1.739 -11.959 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -3.753 -10.635 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -3.266 -10.050 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.345 -11.903 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -4.618 -12.740 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -6.089 -10.850 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.851 -10.071 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.976 -11.307 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -6.885 -11.983 -8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -8.091 -13.607 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -6.409 -13.816 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.088 -13.091 -5.886 1.00 0.00 H new ATOM 2311 N ASN A 143 0.165 -11.334 -5.583 1.00 0.00 N ATOM 2312 CA ASN A 143 1.249 -10.627 -4.888 1.00 0.00 C ATOM 2313 C ASN A 143 1.704 -9.399 -5.674 1.00 0.00 C ATOM 2314 O ASN A 143 2.681 -8.747 -5.317 1.00 0.00 O ATOM 2315 CB ASN A 143 2.436 -11.561 -4.616 1.00 0.00 C ATOM 2316 CG ASN A 143 3.350 -11.036 -3.513 1.00 0.00 C ATOM 2317 OD1 ASN A 143 3.094 -11.247 -2.330 1.00 0.00 O ATOM 2318 ND2 ASN A 143 4.428 -10.361 -3.887 1.00 0.00 N ATOM 0 H ASN A 143 0.449 -12.218 -6.004 1.00 0.00 H new ATOM 0 HA ASN A 143 0.855 -10.289 -3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 143 2.063 -12.546 -4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 143 3.013 -11.687 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 143 5.073 -10.000 -3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 143 4.612 -10.203 -4.878 1.00 0.00 H new ATOM 2325 N ARG A 144 1.001 -9.109 -6.768 1.00 0.00 N ATOM 2326 CA ARG A 144 1.279 -7.937 -7.597 1.00 0.00 C ATOM 2327 C ARG A 144 1.438 -6.668 -6.752 1.00 0.00 C ATOM 2328 O ARG A 144 2.124 -5.736 -7.165 1.00 0.00 O ATOM 2329 CB ARG A 144 0.166 -7.746 -8.636 1.00 0.00 C ATOM 2330 CG ARG A 144 0.354 -6.522 -9.519 1.00 0.00 C ATOM 2331 CD ARG A 144 -0.743 -6.402 -10.563 1.00 0.00 C ATOM 2332 NE ARG A 144 -0.700 -7.493 -11.536 1.00 0.00 N ATOM 2333 CZ ARG A 144 -1.678 -7.763 -12.401 1.00 0.00 C ATOM 2334 NH1 ARG A 144 -2.777 -7.016 -12.426 1.00 0.00 N ATOM 2335 NH2 ARG A 144 -1.550 -8.779 -13.246 1.00 0.00 N ATOM 0 H ARG A 144 0.224 -9.678 -7.104 1.00 0.00 H new ATOM 0 HA ARG A 144 2.224 -8.113 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 144 0.115 -8.633 -9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -0.791 -7.666 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.365 -5.626 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.323 -6.578 -10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -1.714 -6.396 -10.068 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -0.645 -5.449 -11.083 1.00 0.00 H new ATOM 0 HE ARG A 144 0.131 -8.085 -11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -2.875 -6.232 -11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -3.522 -7.227 -13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -0.705 -9.350 -13.232 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -2.296 -8.988 -13.909 1.00 0.00 H new ATOM 2349 N LEU A 145 0.819 -6.640 -5.572 1.00 0.00 N ATOM 2350 CA LEU A 145 0.982 -5.524 -4.641 1.00 0.00 C ATOM 2351 C LEU A 145 2.462 -5.276 -4.362 1.00 0.00 C ATOM 2352 O LEU A 145 2.934 -4.140 -4.420 1.00 0.00 O ATOM 2353 CB LEU A 145 0.262 -5.809 -3.322 1.00 0.00 C ATOM 2354 CG LEU A 145 0.255 -4.651 -2.320 1.00 0.00 C ATOM 2355 CD1 LEU A 145 -0.736 -3.585 -2.750 1.00 0.00 C ATOM 2356 CD2 LEU A 145 -0.069 -5.149 -0.921 1.00 0.00 C ATOM 0 H LEU A 145 0.199 -7.378 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 145 0.546 -4.638 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -0.769 -6.085 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 145 0.729 -6.674 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 145 1.252 -4.210 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -0.729 -2.769 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -0.456 -3.203 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -1.736 -4.017 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.068 -4.309 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -1.052 -5.619 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 145 0.681 -5.877 -0.611 1.00 0.00 H new ATOM 2368 N GLY A 146 3.188 -6.356 -4.077 1.00 0.00 N ATOM 2369 CA GLY A 146 4.612 -6.261 -3.830 1.00 0.00 C ATOM 2370 C GLY A 146 5.364 -5.765 -5.043 1.00 0.00 C ATOM 2371 O GLY A 146 6.336 -5.020 -4.920 1.00 0.00 O ATOM 0 H GLY A 146 2.808 -7.301 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 146 4.791 -5.587 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 146 4.996 -7.239 -3.540 1.00 0.00 H new ATOM 2375 N TYR A 147 4.910 -6.174 -6.222 1.00 0.00 N ATOM 2376 CA TYR A 147 5.500 -5.699 -7.465 1.00 0.00 C ATOM 2377 C TYR A 147 5.219 -4.212 -7.641 1.00 0.00 C ATOM 2378 O TYR A 147 6.092 -3.455 -8.056 1.00 0.00 O ATOM 2379 CB TYR A 147 4.965 -6.487 -8.669 1.00 0.00 C ATOM 2380 CG TYR A 147 5.439 -5.938 -9.998 1.00 0.00 C ATOM 2381 CD1 TYR A 147 6.723 -6.193 -10.463 1.00 0.00 C ATOM 2382 CD2 TYR A 147 4.605 -5.146 -10.779 1.00 0.00 C ATOM 2383 CE1 TYR A 147 7.162 -5.671 -11.667 1.00 0.00 C ATOM 2384 CE2 TYR A 147 5.034 -4.628 -11.983 1.00 0.00 C ATOM 2385 CZ TYR A 147 6.314 -4.891 -12.423 1.00 0.00 C ATOM 2386 OH TYR A 147 6.748 -4.358 -13.617 1.00 0.00 O ATOM 0 H TYR A 147 4.139 -6.831 -6.342 1.00 0.00 H new ATOM 0 HA TYR A 147 6.577 -5.856 -7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 147 5.276 -7.528 -8.581 1.00 0.00 H new ATOM 0 HB3 TYR A 147 3.875 -6.477 -8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 147 7.389 -6.808 -9.876 1.00 0.00 H new ATOM 0 HD2 TYR A 147 3.603 -4.933 -10.437 1.00 0.00 H new ATOM 0 HE1 TYR A 147 8.165 -5.874 -12.013 1.00 0.00 H new ATOM 0 HE2 TYR A 147 4.370 -4.019 -12.579 1.00 0.00 H new ATOM 0 HH TYR A 147 6.397 -3.449 -13.716 1.00 0.00 H new ATOM 2396 N LEU A 148 4.000 -3.803 -7.315 1.00 0.00 N ATOM 2397 CA LEU A 148 3.616 -2.401 -7.392 1.00 0.00 C ATOM 2398 C LEU A 148 4.487 -1.572 -6.457 1.00 0.00 C ATOM 2399 O LEU A 148 4.908 -0.470 -6.803 1.00 0.00 O ATOM 2400 CB LEU A 148 2.139 -2.220 -7.029 1.00 0.00 C ATOM 2401 CG LEU A 148 1.148 -3.019 -7.884 1.00 0.00 C ATOM 2402 CD1 LEU A 148 -0.279 -2.770 -7.418 1.00 0.00 C ATOM 2403 CD2 LEU A 148 1.298 -2.672 -9.359 1.00 0.00 C ATOM 0 H LEU A 148 3.258 -4.425 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 148 3.762 -2.060 -8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 148 2.002 -2.502 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.890 -1.162 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 148 1.372 -4.079 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -0.969 -3.345 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -0.381 -3.078 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.511 -1.709 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.584 -3.252 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 148 1.107 -1.609 -9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.311 -2.906 -9.687 1.00 0.00 H new ATOM 2415 N LEU A 149 4.754 -2.121 -5.276 1.00 0.00 N ATOM 2416 CA LEU A 149 5.665 -1.500 -4.321 1.00 0.00 C ATOM 2417 C LEU A 149 7.056 -1.353 -4.927 1.00 0.00 C ATOM 2418 O LEU A 149 7.674 -0.294 -4.847 1.00 0.00 O ATOM 2419 CB LEU A 149 5.756 -2.341 -3.044 1.00 0.00 C ATOM 2420 CG LEU A 149 4.468 -2.440 -2.228 1.00 0.00 C ATOM 2421 CD1 LEU A 149 4.645 -3.408 -1.067 1.00 0.00 C ATOM 2422 CD2 LEU A 149 4.062 -1.071 -1.715 1.00 0.00 C ATOM 0 H LEU A 149 4.349 -3.001 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 149 5.274 -0.512 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.072 -3.348 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 149 6.537 -1.922 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 149 3.677 -2.818 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 149 3.718 -3.466 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 149 4.896 -4.396 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 149 5.448 -3.056 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 149 3.143 -1.157 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 149 4.854 -0.670 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 149 3.897 -0.400 -2.558 1.00 0.00 H new ATOM 2434 N MET A 150 7.536 -2.424 -5.544 1.00 0.00 N ATOM 2435 CA MET A 150 8.865 -2.432 -6.137 1.00 0.00 C ATOM 2436 C MET A 150 8.955 -1.495 -7.340 1.00 0.00 C ATOM 2437 O MET A 150 9.960 -0.807 -7.510 1.00 0.00 O ATOM 2438 CB MET A 150 9.279 -3.855 -6.524 1.00 0.00 C ATOM 2439 CG MET A 150 9.657 -4.718 -5.328 1.00 0.00 C ATOM 2440 SD MET A 150 10.191 -6.379 -5.792 1.00 0.00 S ATOM 2441 CE MET A 150 8.653 -7.089 -6.369 1.00 0.00 C ATOM 0 H MET A 150 7.023 -3.300 -5.647 1.00 0.00 H new ATOM 0 HA MET A 150 9.561 -2.063 -5.383 1.00 0.00 H new ATOM 0 HB2 MET A 150 8.459 -4.331 -7.062 1.00 0.00 H new ATOM 0 HB3 MET A 150 10.125 -3.806 -7.210 1.00 0.00 H new ATOM 0 HG2 MET A 150 10.457 -4.228 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 150 8.802 -4.792 -4.657 1.00 0.00 H new ATOM 0 HE1 MET A 150 8.805 -8.142 -6.606 1.00 0.00 H new ATOM 0 HE2 MET A 150 7.896 -6.998 -5.590 1.00 0.00 H new ATOM 0 HE3 MET A 150 8.321 -6.560 -7.262 1.00 0.00 H new ATOM 2451 N GLU A 151 7.912 -1.453 -8.163 1.00 0.00 N ATOM 2452 CA GLU A 151 7.904 -0.564 -9.323 1.00 0.00 C ATOM 2453 C GLU A 151 7.778 0.889 -8.866 1.00 0.00 C ATOM 2454 O GLU A 151 8.377 1.791 -9.453 1.00 0.00 O ATOM 2455 CB GLU A 151 6.774 -0.930 -10.296 1.00 0.00 C ATOM 2456 CG GLU A 151 6.863 -0.194 -11.630 1.00 0.00 C ATOM 2457 CD GLU A 151 5.887 -0.714 -12.670 1.00 0.00 C ATOM 2458 OE1 GLU A 151 6.100 -1.831 -13.187 1.00 0.00 O ATOM 2459 OE2 GLU A 151 4.902 -0.011 -12.979 1.00 0.00 O ATOM 0 H GLU A 151 7.069 -2.017 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 151 8.847 -0.685 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 151 6.796 -2.004 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 151 5.815 -0.706 -9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 151 6.676 0.867 -11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 151 7.878 -0.282 -12.018 1.00 0.00 H new ATOM 2466 N LEU A 152 7.014 1.108 -7.799 1.00 0.00 N ATOM 2467 CA LEU A 152 6.919 2.430 -7.186 1.00 0.00 C ATOM 2468 C LEU A 152 8.291 2.856 -6.676 1.00 0.00 C ATOM 2469 O LEU A 152 8.726 3.984 -6.902 1.00 0.00 O ATOM 2470 CB LEU A 152 5.910 2.418 -6.034 1.00 0.00 C ATOM 2471 CG LEU A 152 5.696 3.763 -5.333 1.00 0.00 C ATOM 2472 CD1 LEU A 152 5.067 4.772 -6.281 1.00 0.00 C ATOM 2473 CD2 LEU A 152 4.836 3.585 -4.093 1.00 0.00 C ATOM 0 H LEU A 152 6.453 0.389 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 152 6.575 3.142 -7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 152 4.951 2.071 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 152 6.239 1.690 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 152 6.669 4.147 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.924 5.720 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 152 5.723 4.923 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 152 4.102 4.397 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 152 4.694 4.550 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 152 3.867 3.176 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.330 2.901 -3.403 1.00 0.00 H new ATOM 2485 N ARG A 153 8.964 1.930 -5.997 1.00 0.00 N ATOM 2486 CA ARG A 153 10.329 2.137 -5.522 1.00 0.00 C ATOM 2487 C ARG A 153 11.237 2.603 -6.660 1.00 0.00 C ATOM 2488 O ARG A 153 12.047 3.512 -6.491 1.00 0.00 O ATOM 2489 CB ARG A 153 10.863 0.829 -4.910 1.00 0.00 C ATOM 2490 CG ARG A 153 12.257 0.438 -5.383 1.00 0.00 C ATOM 2491 CD ARG A 153 12.565 -1.022 -5.093 1.00 0.00 C ATOM 2492 NE ARG A 153 13.680 -1.512 -5.906 1.00 0.00 N ATOM 2493 CZ ARG A 153 13.556 -2.045 -7.128 1.00 0.00 C ATOM 2494 NH1 ARG A 153 12.373 -2.106 -7.726 1.00 0.00 N ATOM 2495 NH2 ARG A 153 14.634 -2.474 -7.769 1.00 0.00 N ATOM 0 H ARG A 153 8.578 1.016 -5.761 1.00 0.00 H new ATOM 0 HA ARG A 153 10.322 2.916 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 153 10.875 0.928 -3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 153 10.171 0.021 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 153 12.342 0.621 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 153 12.997 1.070 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 153 12.805 -1.140 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 153 11.679 -1.627 -5.288 1.00 0.00 H new ATOM 0 HE ARG A 153 14.619 -1.442 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 153 11.544 -1.744 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 153 12.293 -2.515 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 153 15.552 -2.397 -7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 153 14.545 -2.881 -8.700 1.00 0.00 H new ATOM 2509 N GLU A 154 11.078 1.983 -7.822 1.00 0.00 N ATOM 2510 CA GLU A 154 11.909 2.287 -8.973 1.00 0.00 C ATOM 2511 C GLU A 154 11.729 3.739 -9.400 1.00 0.00 C ATOM 2512 O GLU A 154 12.696 4.412 -9.767 1.00 0.00 O ATOM 2513 CB GLU A 154 11.575 1.333 -10.118 1.00 0.00 C ATOM 2514 CG GLU A 154 12.397 1.563 -11.370 1.00 0.00 C ATOM 2515 CD GLU A 154 12.251 0.430 -12.359 1.00 0.00 C ATOM 2516 OE1 GLU A 154 11.229 0.386 -13.074 1.00 0.00 O ATOM 2517 OE2 GLU A 154 13.159 -0.426 -12.418 1.00 0.00 O ATOM 0 H GLU A 154 10.376 1.263 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 154 12.955 2.150 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 154 11.726 0.308 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 154 10.518 1.434 -10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 154 12.088 2.497 -11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 154 13.447 1.675 -11.099 1.00 0.00 H new ATOM 2524 N GLN A 155 10.496 4.223 -9.319 1.00 0.00 N ATOM 2525 CA GLN A 155 10.196 5.607 -9.657 1.00 0.00 C ATOM 2526 C GLN A 155 10.704 6.553 -8.573 1.00 0.00 C ATOM 2527 O GLN A 155 11.228 7.627 -8.872 1.00 0.00 O ATOM 2528 CB GLN A 155 8.690 5.797 -9.860 1.00 0.00 C ATOM 2529 CG GLN A 155 8.126 5.005 -11.031 1.00 0.00 C ATOM 2530 CD GLN A 155 8.803 5.347 -12.342 1.00 0.00 C ATOM 2531 OE1 GLN A 155 9.781 4.713 -12.734 1.00 0.00 O ATOM 2532 NE2 GLN A 155 8.293 6.359 -13.024 1.00 0.00 N ATOM 0 H GLN A 155 9.688 3.677 -9.022 1.00 0.00 H new ATOM 0 HA GLN A 155 10.708 5.845 -10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 155 8.169 5.502 -8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.484 6.856 -10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 155 8.241 3.939 -10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 155 7.057 5.200 -11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 155 7.480 6.859 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 155 8.712 6.639 -13.911 1.00 0.00 H new ATOM 2541 N LEU A 156 10.571 6.140 -7.316 1.00 0.00 N ATOM 2542 CA LEU A 156 10.998 6.966 -6.188 1.00 0.00 C ATOM 2543 C LEU A 156 12.520 7.122 -6.177 1.00 0.00 C ATOM 2544 O LEU A 156 13.060 8.075 -5.603 1.00 0.00 O ATOM 2545 CB LEU A 156 10.514 6.371 -4.859 1.00 0.00 C ATOM 2546 CG LEU A 156 8.999 6.156 -4.738 1.00 0.00 C ATOM 2547 CD1 LEU A 156 8.628 5.749 -3.322 1.00 0.00 C ATOM 2548 CD2 LEU A 156 8.234 7.406 -5.142 1.00 0.00 C ATOM 0 H LEU A 156 10.172 5.239 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 156 10.549 7.952 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 156 11.011 5.413 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 156 10.835 7.027 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 156 8.721 5.351 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 156 7.550 5.601 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 156 9.138 4.820 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 156 8.930 6.533 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 156 7.164 7.224 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 156 8.521 8.234 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 156 8.468 7.658 -6.176 1.00 0.00 H new ATOM 2560 N ALA A 157 13.208 6.175 -6.806 1.00 0.00 N ATOM 2561 CA ALA A 157 14.650 6.262 -6.987 1.00 0.00 C ATOM 2562 C ALA A 157 14.988 7.341 -8.005 1.00 0.00 C ATOM 2563 O ALA A 157 15.951 8.087 -7.834 1.00 0.00 O ATOM 2564 CB ALA A 157 15.215 4.918 -7.424 1.00 0.00 C ATOM 0 H ALA A 157 12.786 5.334 -7.201 1.00 0.00 H new ATOM 0 HA ALA A 157 15.105 6.530 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 157 16.294 5.002 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 157 14.999 4.168 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 157 14.758 4.620 -8.368 1.00 0.00 H new ATOM 2570 N ILE A 158 14.166 7.439 -9.048 1.00 0.00 N ATOM 2571 CA ILE A 158 14.378 8.418 -10.107 1.00 0.00 C ATOM 2572 C ILE A 158 14.216 9.837 -9.570 1.00 0.00 C ATOM 2573 O ILE A 158 14.907 10.755 -10.009 1.00 0.00 O ATOM 2574 CB ILE A 158 13.402 8.196 -11.286 1.00 0.00 C ATOM 2575 CG1 ILE A 158 13.556 6.778 -11.845 1.00 0.00 C ATOM 2576 CG2 ILE A 158 13.639 9.228 -12.384 1.00 0.00 C ATOM 2577 CD1 ILE A 158 12.602 6.458 -12.974 1.00 0.00 C ATOM 0 H ILE A 158 13.345 6.849 -9.181 1.00 0.00 H new ATOM 0 HA ILE A 158 15.397 8.285 -10.472 1.00 0.00 H new ATOM 0 HB ILE A 158 12.384 8.317 -10.916 1.00 0.00 H new ATOM 0 HG12 ILE A 158 14.579 6.646 -12.198 1.00 0.00 H new ATOM 0 HG13 ILE A 158 13.402 6.061 -11.038 1.00 0.00 H new ATOM 0 HG21 ILE A 158 12.942 9.054 -13.204 1.00 0.00 H new ATOM 0 HG22 ILE A 158 13.483 10.229 -11.982 1.00 0.00 H new ATOM 0 HG23 ILE A 158 14.661 9.140 -12.752 1.00 0.00 H new ATOM 0 HD11 ILE A 158 12.772 5.437 -13.316 1.00 0.00 H new ATOM 0 HD12 ILE A 158 11.575 6.556 -12.622 1.00 0.00 H new ATOM 0 HD13 ILE A 158 12.770 7.150 -13.799 1.00 0.00 H new ATOM 2589 N GLU A 159 13.315 10.003 -8.602 1.00 0.00 N ATOM 2590 CA GLU A 159 13.078 11.305 -7.975 1.00 0.00 C ATOM 2591 C GLU A 159 14.383 11.919 -7.483 1.00 0.00 C ATOM 2592 O GLU A 159 14.687 13.079 -7.755 1.00 0.00 O ATOM 2593 CB GLU A 159 12.140 11.166 -6.778 1.00 0.00 C ATOM 2594 CG GLU A 159 10.842 10.442 -7.072 1.00 0.00 C ATOM 2595 CD GLU A 159 9.982 10.310 -5.830 1.00 0.00 C ATOM 2596 OE1 GLU A 159 10.473 9.764 -4.814 1.00 0.00 O ATOM 2597 OE2 GLU A 159 8.821 10.754 -5.858 1.00 0.00 O ATOM 0 H GLU A 159 12.735 9.250 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 159 12.628 11.948 -8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 159 12.664 10.636 -5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 159 11.907 12.161 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 159 10.290 10.982 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 159 11.060 9.451 -7.471 1.00 0.00 H new ATOM 2604 N LYS A 160 15.149 11.123 -6.751 1.00 0.00 N ATOM 2605 CA LYS A 160 16.389 11.585 -6.153 1.00 0.00 C ATOM 2606 C LYS A 160 17.538 11.427 -7.134 1.00 0.00 C ATOM 2607 O LYS A 160 18.565 12.093 -7.022 1.00 0.00 O ATOM 2608 CB LYS A 160 16.650 10.802 -4.870 1.00 0.00 C ATOM 2609 CG LYS A 160 15.514 10.935 -3.870 1.00 0.00 C ATOM 2610 CD LYS A 160 15.216 9.621 -3.176 1.00 0.00 C ATOM 2611 CE LYS A 160 13.867 9.666 -2.472 1.00 0.00 C ATOM 2612 NZ LYS A 160 12.765 10.003 -3.415 1.00 0.00 N ATOM 0 H LYS A 160 14.929 10.146 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 160 16.306 12.644 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 160 16.795 9.749 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 160 17.575 11.155 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 160 15.772 11.688 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 160 14.618 11.286 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 160 15.222 8.811 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 160 16.001 9.403 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 160 13.666 8.700 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 160 13.899 10.404 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 11.852 9.748 -2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 12.780 11.023 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.892 9.473 -4.301 1.00 0.00 H new ATOM 2626 N LEU A 161 17.340 10.555 -8.111 1.00 0.00 N ATOM 2627 CA LEU A 161 18.308 10.366 -9.178 1.00 0.00 C ATOM 2628 C LEU A 161 18.432 11.655 -9.981 1.00 0.00 C ATOM 2629 O LEU A 161 19.484 11.955 -10.539 1.00 0.00 O ATOM 2630 CB LEU A 161 17.864 9.222 -10.091 1.00 0.00 C ATOM 2631 CG LEU A 161 18.979 8.545 -10.883 1.00 0.00 C ATOM 2632 CD1 LEU A 161 19.870 7.742 -9.951 1.00 0.00 C ATOM 2633 CD2 LEU A 161 18.395 7.653 -11.968 1.00 0.00 C ATOM 0 H LEU A 161 16.512 9.964 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 161 19.277 10.114 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 161 17.364 8.468 -9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 161 17.125 9.607 -10.793 1.00 0.00 H new ATOM 0 HG LEU A 161 19.584 9.314 -11.363 1.00 0.00 H new ATOM 0 HD11 LEU A 161 20.662 7.263 -10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 161 20.312 8.406 -9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 161 19.276 6.979 -9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 161 19.204 7.178 -12.523 1.00 0.00 H new ATOM 0 HD22 LEU A 161 17.769 6.886 -11.511 1.00 0.00 H new ATOM 0 HD23 LEU A 161 17.792 8.255 -12.648 1.00 0.00 H new ATOM 2645 N GLU A 162 17.348 12.428 -9.995 1.00 0.00 N ATOM 2646 CA GLU A 162 17.284 13.700 -10.712 1.00 0.00 C ATOM 2647 C GLU A 162 18.204 14.764 -10.114 1.00 0.00 C ATOM 2648 O GLU A 162 18.164 15.922 -10.530 1.00 0.00 O ATOM 2649 CB GLU A 162 15.845 14.211 -10.708 1.00 0.00 C ATOM 2650 CG GLU A 162 14.943 13.486 -11.689 1.00 0.00 C ATOM 2651 CD GLU A 162 15.100 13.993 -13.106 1.00 0.00 C ATOM 2652 OE1 GLU A 162 16.145 13.732 -13.736 1.00 0.00 O ATOM 2653 OE2 GLU A 162 14.168 14.656 -13.605 1.00 0.00 O ATOM 0 H GLU A 162 16.485 12.188 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 162 17.626 13.515 -11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 162 15.434 14.108 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 162 15.845 15.275 -10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 162 15.165 12.419 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 162 13.905 13.603 -11.378 1.00 0.00 H new ATOM 2660 N HIS A 163 19.026 14.385 -9.137 1.00 0.00 N ATOM 2661 CA HIS A 163 20.010 15.307 -8.580 1.00 0.00 C ATOM 2662 C HIS A 163 20.990 15.768 -9.663 1.00 0.00 C ATOM 2663 O HIS A 163 21.594 16.834 -9.545 1.00 0.00 O ATOM 2664 CB HIS A 163 20.762 14.691 -7.389 1.00 0.00 C ATOM 2665 CG HIS A 163 21.672 13.548 -7.729 1.00 0.00 C ATOM 2666 ND1 HIS A 163 21.410 12.238 -7.935 1.00 0.00 N flip ATOM 2667 CD2 HIS A 163 23.035 13.684 -7.852 1.00 0.00 C flip ATOM 2668 CE1 HIS A 163 22.604 11.610 -8.169 1.00 0.00 C flip ATOM 2669 NE2 HIS A 163 23.571 12.507 -8.114 1.00 0.00 N flip ATOM 0 H HIS A 163 19.030 13.455 -8.719 1.00 0.00 H new ATOM 0 HA HIS A 163 19.470 16.177 -8.207 1.00 0.00 H new ATOM 0 HB2 HIS A 163 21.351 15.472 -6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 163 20.031 14.347 -6.657 1.00 0.00 H new ATOM 0 HD1 HIS A 163 20.490 11.797 -7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 163 23.582 14.610 -7.750 1.00 0.00 H new ATOM 0 HE1 HIS A 163 22.733 10.556 -8.366 1.00 0.00 H new ATOM 2678 N HIS A 164 21.147 14.962 -10.721 1.00 0.00 N ATOM 2679 CA HIS A 164 21.886 15.411 -11.894 1.00 0.00 C ATOM 2680 C HIS A 164 21.048 16.469 -12.604 1.00 0.00 C ATOM 2681 O HIS A 164 20.009 16.173 -13.193 1.00 0.00 O ATOM 2682 CB HIS A 164 22.264 14.239 -12.837 1.00 0.00 C ATOM 2683 CG HIS A 164 21.121 13.519 -13.507 1.00 0.00 C ATOM 2684 ND1 HIS A 164 20.495 12.424 -12.956 1.00 0.00 N ATOM 2685 CD2 HIS A 164 20.521 13.720 -14.708 1.00 0.00 C ATOM 2686 CE1 HIS A 164 19.563 11.984 -13.781 1.00 0.00 C ATOM 2687 NE2 HIS A 164 19.557 12.751 -14.854 1.00 0.00 N ATOM 0 H HIS A 164 20.777 14.013 -10.784 1.00 0.00 H new ATOM 0 HA HIS A 164 22.836 15.843 -11.580 1.00 0.00 H new ATOM 0 HB2 HIS A 164 22.926 14.625 -13.613 1.00 0.00 H new ATOM 0 HB3 HIS A 164 22.837 13.510 -12.263 1.00 0.00 H new ATOM 0 HD1 HIS A 164 20.717 12.015 -12.049 1.00 0.00 H new ATOM 0 HD2 HIS A 164 20.758 14.498 -15.418 1.00 0.00 H new ATOM 0 HE1 HIS A 164 18.914 11.138 -13.607 1.00 0.00 H new ATOM 2696 N HIS A 165 21.479 17.711 -12.514 1.00 0.00 N ATOM 2697 CA HIS A 165 20.624 18.813 -12.909 1.00 0.00 C ATOM 2698 C HIS A 165 21.144 19.558 -14.129 1.00 0.00 C ATOM 2699 O HIS A 165 22.041 20.393 -14.044 1.00 0.00 O ATOM 2700 CB HIS A 165 20.381 19.773 -11.732 1.00 0.00 C ATOM 2701 CG HIS A 165 21.618 20.224 -11.013 1.00 0.00 C ATOM 2702 ND1 HIS A 165 22.221 19.485 -10.016 1.00 0.00 N ATOM 2703 CD2 HIS A 165 22.349 21.357 -11.131 1.00 0.00 C ATOM 2704 CE1 HIS A 165 23.265 20.146 -9.553 1.00 0.00 C ATOM 2705 NE2 HIS A 165 23.367 21.286 -10.212 1.00 0.00 N ATOM 0 H HIS A 165 22.403 17.981 -12.176 1.00 0.00 H new ATOM 0 HA HIS A 165 19.669 18.376 -13.200 1.00 0.00 H new ATOM 0 HB2 HIS A 165 19.854 20.652 -12.103 1.00 0.00 H new ATOM 0 HB3 HIS A 165 19.721 19.285 -11.015 1.00 0.00 H new ATOM 0 HD1 HIS A 165 21.909 18.571 -9.688 1.00 0.00 H new ATOM 0 HD2 HIS A 165 22.166 22.168 -11.821 1.00 0.00 H new ATOM 0 HE1 HIS A 165 23.925 19.811 -8.767 1.00 0.00 H new ATOM 2714 N HIS A 166 20.580 19.212 -15.272 1.00 0.00 N ATOM 2715 CA HIS A 166 20.733 20.000 -16.481 1.00 0.00 C ATOM 2716 C HIS A 166 19.332 20.264 -17.025 1.00 0.00 C ATOM 2717 O HIS A 166 19.121 20.463 -18.218 1.00 0.00 O ATOM 2718 CB HIS A 166 21.609 19.267 -17.510 1.00 0.00 C ATOM 2719 CG HIS A 166 22.081 20.137 -18.643 1.00 0.00 C ATOM 2720 ND1 HIS A 166 21.502 20.445 -19.828 1.00 0.00 N flip ATOM 2721 CD2 HIS A 166 23.287 20.802 -18.631 1.00 0.00 C flip ATOM 2722 CE1 HIS A 166 22.358 21.281 -20.496 1.00 0.00 C flip ATOM 2723 NE2 HIS A 166 23.427 21.482 -19.753 1.00 0.00 N flip ATOM 0 H HIS A 166 20.004 18.378 -15.388 1.00 0.00 H new ATOM 0 HA HIS A 166 21.238 20.942 -16.267 1.00 0.00 H new ATOM 0 HB2 HIS A 166 22.477 18.849 -17.001 1.00 0.00 H new ATOM 0 HB3 HIS A 166 21.046 18.429 -17.920 1.00 0.00 H new ATOM 0 HD2 HIS A 166 24.007 20.772 -17.827 1.00 0.00 H new ATOM 0 HE1 HIS A 166 22.184 21.706 -21.473 1.00 0.00 H new ATOM 0 HE2 HIS A 166 24.227 22.064 -20.002 1.00 0.00 H new ATOM 2732 N HIS A 167 18.373 20.280 -16.107 1.00 0.00 N ATOM 2733 CA HIS A 167 16.975 20.473 -16.453 1.00 0.00 C ATOM 2734 C HIS A 167 16.660 21.961 -16.491 1.00 0.00 C ATOM 2735 O HIS A 167 15.906 22.481 -15.663 1.00 0.00 O ATOM 2736 CB HIS A 167 16.057 19.752 -15.456 1.00 0.00 C ATOM 2737 CG HIS A 167 16.220 18.260 -15.452 1.00 0.00 C ATOM 2738 ND1 HIS A 167 16.055 17.486 -16.577 1.00 0.00 N ATOM 2739 CD2 HIS A 167 16.534 17.401 -14.452 1.00 0.00 C ATOM 2740 CE1 HIS A 167 16.258 16.218 -16.273 1.00 0.00 C ATOM 2741 NE2 HIS A 167 16.551 16.135 -14.987 1.00 0.00 N ATOM 0 H HIS A 167 18.543 20.160 -15.109 1.00 0.00 H new ATOM 0 HA HIS A 167 16.796 20.044 -17.439 1.00 0.00 H new ATOM 0 HB2 HIS A 167 16.255 20.132 -14.454 1.00 0.00 H new ATOM 0 HB3 HIS A 167 15.020 19.994 -15.690 1.00 0.00 H new ATOM 0 HD2 HIS A 167 16.734 17.663 -13.424 1.00 0.00 H new ATOM 0 HE1 HIS A 167 16.195 15.387 -16.960 1.00 0.00 H new ATOM 0 HE2 HIS A 167 16.755 15.276 -14.477 1.00 0.00 H new ATOM 2750 N HIS A 168 17.276 22.640 -17.440 1.00 0.00 N ATOM 2751 CA HIS A 168 17.133 24.074 -17.583 1.00 0.00 C ATOM 2752 C HIS A 168 17.346 24.465 -19.039 1.00 0.00 C ATOM 2753 O HIS A 168 18.516 24.630 -19.444 1.00 0.00 O ATOM 2754 CB HIS A 168 18.140 24.797 -16.681 1.00 0.00 C ATOM 2755 CG HIS A 168 18.054 26.288 -16.755 1.00 0.00 C ATOM 2756 ND1 HIS A 168 18.817 27.037 -17.620 1.00 0.00 N ATOM 2757 CD2 HIS A 168 17.293 27.169 -16.067 1.00 0.00 C ATOM 2758 CE1 HIS A 168 18.533 28.314 -17.458 1.00 0.00 C ATOM 2759 NE2 HIS A 168 17.610 28.421 -16.523 1.00 0.00 N ATOM 2760 OXT HIS A 168 16.345 24.584 -19.770 1.00 0.00 O ATOM 0 H HIS A 168 17.890 22.212 -18.133 1.00 0.00 H new ATOM 0 HA HIS A 168 16.128 24.368 -17.281 1.00 0.00 H new ATOM 0 HB2 HIS A 168 17.980 24.484 -15.649 1.00 0.00 H new ATOM 0 HB3 HIS A 168 19.148 24.486 -16.956 1.00 0.00 H new ATOM 0 HD2 HIS A 168 16.570 26.930 -15.301 1.00 0.00 H new ATOM 0 HE1 HIS A 168 18.981 29.134 -18.000 1.00 0.00 H new ATOM 0 HE2 HIS A 168 17.199 29.294 -16.193 1.00 0.00 H new TER 2769 HIS A 168