USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 716 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: B 12 HIS :FLIP no HD1:sc= -4.22 F(o=-17!,f=-16) USER MOD Set 1.2: B 13 HIS : no HD1:sc= -12.1! C(o=-16!,f=-18!) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -4.3 F(o=-17!,f=-17) USER MOD Set 2.2: A 13 HIS : no HD1:sc= -12.2! C(o=-17!,f=-18!) USER MOD Single : A 1 ALA N :NH3+ 136:sc= 0.00907 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.175) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-0.88) USER MOD Single : A 6 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.37) USER MOD Single : A 8 ASN : amide:sc= -0.493 K(o=-0.49,f=-3!) USER MOD Single : A 11 SER OG : rot 77:sc= 0.541 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -4.78! C(o=-4.8!,f=-6.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.9! C(o=-7.9!,f=-8.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 37 SER OG : rot 87:sc= 0.0908 USER MOD Single : B 1 ALA N :NH3+ 139:sc= 0.0112 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.16) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.76) USER MOD Single : B 6 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.42) USER MOD Single : B 8 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.9!) USER MOD Single : B 11 SER OG : rot 77:sc= 0.56 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -5.1! C(o=-5.1!,f=-6.5!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -7.75! C(o=-7.8!,f=-8.2!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -0.415 X(o=-0.41,f=0) USER MOD Single : B 37 SER OG : rot 87:sc= 0.092 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -31.676 -4.568 9.292 1.00 0.00 N ATOM 2 CA ALA A 1 -30.833 -3.533 8.639 1.00 0.00 C ATOM 3 C ALA A 1 -30.992 -3.574 7.123 1.00 0.00 C ATOM 4 O ALA A 1 -31.101 -4.647 6.530 1.00 0.00 O ATOM 5 CB ALA A 1 -29.373 -3.726 9.022 1.00 0.00 C ATOM 0 H1 ALA A 1 -31.126 -5.045 10.035 1.00 0.00 H new ATOM 0 H2 ALA A 1 -32.512 -4.118 9.715 1.00 0.00 H new ATOM 0 H3 ALA A 1 -31.980 -5.266 8.583 1.00 0.00 H new ATOM 0 HA ALA A 1 -31.164 -2.555 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -28.766 -2.962 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -29.266 -3.642 10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -29.040 -4.713 8.700 1.00 0.00 H new ATOM 13 N LEU A 2 -31.004 -2.399 6.503 1.00 0.00 N ATOM 14 CA LEU A 2 -31.150 -2.300 5.056 1.00 0.00 C ATOM 15 C LEU A 2 -29.791 -2.138 4.382 1.00 0.00 C ATOM 16 O LEU A 2 -28.924 -1.416 4.876 1.00 0.00 O ATOM 17 CB LEU A 2 -32.057 -1.123 4.693 1.00 0.00 C ATOM 18 CG LEU A 2 -33.086 -1.411 3.598 1.00 0.00 C ATOM 19 CD1 LEU A 2 -34.131 -2.397 4.097 1.00 0.00 C ATOM 20 CD2 LEU A 2 -33.746 -0.121 3.135 1.00 0.00 C ATOM 0 H LEU A 2 -30.914 -1.502 6.980 1.00 0.00 H new ATOM 0 HA LEU A 2 -31.605 -3.223 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -32.585 -0.801 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -31.433 -0.288 4.373 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.570 -1.857 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -34.855 -2.591 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -33.645 -3.330 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -34.643 -1.977 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -34.475 -0.344 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -34.249 0.353 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -32.987 0.554 2.739 1.00 0.00 H new ATOM 32 N LYS A 3 -29.613 -2.813 3.251 1.00 0.00 N ATOM 33 CA LYS A 3 -28.359 -2.742 2.509 1.00 0.00 C ATOM 34 C LYS A 3 -27.177 -3.103 3.403 1.00 0.00 C ATOM 35 O LYS A 3 -26.075 -2.582 3.231 1.00 0.00 O ATOM 36 CB LYS A 3 -28.164 -1.342 1.926 1.00 0.00 C ATOM 37 CG LYS A 3 -29.038 -1.062 0.714 1.00 0.00 C ATOM 38 CD LYS A 3 -30.277 -0.266 1.092 1.00 0.00 C ATOM 39 CE LYS A 3 -30.859 0.463 -0.107 1.00 0.00 C ATOM 40 NZ LYS A 3 -31.786 1.555 0.303 1.00 0.00 N ATOM 0 H LYS A 3 -30.320 -3.415 2.829 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.408 -3.463 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.379 -0.603 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.118 -1.216 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.463 -0.511 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.336 -2.004 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.028 -0.936 1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.024 0.455 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.050 0.880 -0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -31.392 -0.247 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.002 2.154 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.667 1.143 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.337 2.132 1.043 1.00 0.00 H new ATOM 54 N LYS A 4 -27.413 -3.995 4.359 1.00 0.00 N ATOM 55 CA LYS A 4 -26.368 -4.424 5.280 1.00 0.00 C ATOM 56 C LYS A 4 -25.220 -5.090 4.529 1.00 0.00 C ATOM 57 O LYS A 4 -24.053 -4.921 4.881 1.00 0.00 O ATOM 58 CB LYS A 4 -26.940 -5.389 6.321 1.00 0.00 C ATOM 59 CG LYS A 4 -26.551 -5.045 7.749 1.00 0.00 C ATOM 60 CD LYS A 4 -25.525 -6.021 8.298 1.00 0.00 C ATOM 61 CE LYS A 4 -24.919 -5.521 9.598 1.00 0.00 C ATOM 62 NZ LYS A 4 -23.435 -5.657 9.609 1.00 0.00 N ATOM 0 H LYS A 4 -28.320 -4.435 4.516 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.982 -3.540 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.027 -5.394 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.599 -6.399 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -26.147 -4.033 7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.439 -5.055 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -25.996 -6.990 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -24.735 -6.172 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -25.189 -4.475 9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -25.341 -6.080 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.061 -5.305 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -23.177 -6.658 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.030 -5.103 8.827 1.00 0.00 H new ATOM 76 N HIS A 5 -25.561 -5.850 3.491 1.00 0.00 N ATOM 77 CA HIS A 5 -24.558 -6.542 2.690 1.00 0.00 C ATOM 78 C HIS A 5 -23.534 -5.558 2.135 1.00 0.00 C ATOM 79 O HIS A 5 -22.327 -5.792 2.212 1.00 0.00 O ATOM 80 CB HIS A 5 -25.226 -7.301 1.543 1.00 0.00 C ATOM 81 CG HIS A 5 -26.354 -6.550 0.905 1.00 0.00 C ATOM 82 ND1 HIS A 5 -27.677 -6.755 1.235 1.00 0.00 N ATOM 83 CD2 HIS A 5 -26.351 -5.590 -0.050 1.00 0.00 C ATOM 84 CE1 HIS A 5 -28.439 -5.954 0.511 1.00 0.00 C ATOM 85 NE2 HIS A 5 -27.659 -5.237 -0.275 1.00 0.00 N ATOM 0 H HIS A 5 -26.523 -6.001 3.186 1.00 0.00 H new ATOM 0 HA HIS A 5 -24.041 -7.253 3.334 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -24.477 -7.529 0.784 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -25.601 -8.254 1.918 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -25.482 -5.179 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -29.517 -5.896 0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -27.976 -4.534 -0.942 1.00 0.00 H new ATOM 94 N HIS A 6 -24.022 -4.455 1.577 1.00 0.00 N ATOM 95 CA HIS A 6 -23.148 -3.435 1.010 1.00 0.00 C ATOM 96 C HIS A 6 -22.217 -2.867 2.075 1.00 0.00 C ATOM 97 O HIS A 6 -21.013 -2.744 1.857 1.00 0.00 O ATOM 98 CB HIS A 6 -23.977 -2.311 0.386 1.00 0.00 C ATOM 99 CG HIS A 6 -23.757 -2.151 -1.086 1.00 0.00 C ATOM 100 ND1 HIS A 6 -23.457 -3.206 -1.921 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.794 -1.048 -1.872 1.00 0.00 C ATOM 102 CE1 HIS A 6 -23.319 -2.760 -3.158 1.00 0.00 C ATOM 103 NE2 HIS A 6 -23.520 -1.456 -3.155 1.00 0.00 N ATOM 0 H HIS A 6 -25.018 -4.245 1.505 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.542 -3.901 0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -25.034 -2.506 0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.736 -1.373 0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.000 -0.038 -1.550 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -23.082 -3.361 -4.024 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.479 -0.849 -3.973 1.00 0.00 H new ATOM 112 N GLU A 7 -22.782 -2.527 3.229 1.00 0.00 N ATOM 113 CA GLU A 7 -21.998 -1.976 4.328 1.00 0.00 C ATOM 114 C GLU A 7 -20.880 -2.933 4.723 1.00 0.00 C ATOM 115 O GLU A 7 -19.854 -2.517 5.262 1.00 0.00 O ATOM 116 CB GLU A 7 -22.896 -1.695 5.534 1.00 0.00 C ATOM 117 CG GLU A 7 -22.280 -0.736 6.540 1.00 0.00 C ATOM 118 CD GLU A 7 -23.162 -0.518 7.754 1.00 0.00 C ATOM 119 OE1 GLU A 7 -24.349 -0.906 7.702 1.00 0.00 O ATOM 120 OE2 GLU A 7 -22.667 0.039 8.755 1.00 0.00 O ATOM 0 H GLU A 7 -23.778 -2.623 3.427 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.553 -1.039 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.842 -1.283 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -23.124 -2.636 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.314 -1.125 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.092 0.222 6.055 1.00 0.00 H new ATOM 127 N ASN A 8 -21.081 -4.218 4.444 1.00 0.00 N ATOM 128 CA ASN A 8 -20.085 -5.233 4.765 1.00 0.00 C ATOM 129 C ASN A 8 -18.885 -5.109 3.835 1.00 0.00 C ATOM 130 O ASN A 8 -17.757 -4.905 4.284 1.00 0.00 O ATOM 131 CB ASN A 8 -20.693 -6.632 4.653 1.00 0.00 C ATOM 132 CG ASN A 8 -20.730 -7.355 5.986 1.00 0.00 C ATOM 133 OD1 ASN A 8 -20.417 -6.777 7.027 1.00 0.00 O ATOM 134 ND2 ASN A 8 -21.112 -8.626 5.960 1.00 0.00 N ATOM 0 H ASN A 8 -21.924 -4.580 3.997 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.752 -5.077 5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -21.705 -6.554 4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.116 -7.220 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -21.155 -9.163 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.363 -9.065 5.074 1.00 0.00 H new ATOM 141 N GLU A 9 -19.138 -5.220 2.536 1.00 0.00 N ATOM 142 CA GLU A 9 -18.078 -5.103 1.543 1.00 0.00 C ATOM 143 C GLU A 9 -17.375 -3.754 1.667 1.00 0.00 C ATOM 144 O GLU A 9 -16.234 -3.595 1.231 1.00 0.00 O ATOM 145 CB GLU A 9 -18.651 -5.267 0.134 1.00 0.00 C ATOM 146 CG GLU A 9 -17.678 -5.897 -0.850 1.00 0.00 C ATOM 147 CD GLU A 9 -17.570 -7.399 -0.682 1.00 0.00 C ATOM 148 OE1 GLU A 9 -18.503 -8.113 -1.106 1.00 0.00 O ATOM 149 OE2 GLU A 9 -16.551 -7.863 -0.127 1.00 0.00 O ATOM 0 H GLU A 9 -20.065 -5.390 2.147 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.350 -5.894 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.550 -5.881 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.953 -4.290 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.998 -5.671 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.693 -5.449 -0.719 1.00 0.00 H new ATOM 156 N ILE A 10 -18.065 -2.785 2.266 1.00 0.00 N ATOM 157 CA ILE A 10 -17.513 -1.452 2.451 1.00 0.00 C ATOM 158 C ILE A 10 -16.438 -1.463 3.544 1.00 0.00 C ATOM 159 O ILE A 10 -15.329 -0.967 3.345 1.00 0.00 O ATOM 160 CB ILE A 10 -18.658 -0.429 2.759 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.712 0.644 1.672 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.545 0.226 4.139 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.084 0.800 1.052 1.00 0.00 C ATOM 0 H ILE A 10 -19.010 -2.903 2.631 1.00 0.00 H new ATOM 0 HA ILE A 10 -17.030 -1.133 1.528 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.585 -1.003 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.403 1.599 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.994 0.396 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.372 0.922 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.581 -0.543 4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.601 0.766 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.052 1.577 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.387 -0.143 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.802 1.078 1.823 1.00 0.00 H new ATOM 175 N SER A 11 -16.779 -2.033 4.695 1.00 0.00 N ATOM 176 CA SER A 11 -15.849 -2.109 5.815 1.00 0.00 C ATOM 177 C SER A 11 -14.623 -2.938 5.448 1.00 0.00 C ATOM 178 O SER A 11 -13.529 -2.713 5.970 1.00 0.00 O ATOM 179 CB SER A 11 -16.540 -2.713 7.039 1.00 0.00 C ATOM 180 OG SER A 11 -17.784 -2.080 7.287 1.00 0.00 O ATOM 0 H SER A 11 -17.693 -2.449 4.876 1.00 0.00 H new ATOM 0 HA SER A 11 -15.523 -1.097 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.696 -3.780 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.896 -2.610 7.912 1.00 0.00 H new ATOM 0 HG SER A 11 -18.451 -2.408 6.648 1.00 0.00 H new ATOM 186 N HIS A 12 -14.809 -3.895 4.545 1.00 0.00 N ATOM 187 CA HIS A 12 -13.717 -4.752 4.112 1.00 0.00 C ATOM 188 C HIS A 12 -12.729 -3.957 3.253 1.00 0.00 C ATOM 189 O HIS A 12 -11.517 -4.028 3.464 1.00 0.00 O ATOM 190 CB HIS A 12 -14.288 -5.992 3.383 1.00 0.00 C ATOM 191 CG HIS A 12 -13.665 -6.322 2.056 1.00 0.00 C ATOM 192 ND1 HIS A 12 -14.128 -6.142 0.800 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -12.425 -6.912 1.928 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -13.170 -6.621 -0.059 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -12.152 -7.079 0.646 1.00 0.00 N flip ATOM 0 H HIS A 12 -15.705 -4.095 4.101 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.158 -5.113 4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.178 -6.856 4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.357 -5.840 3.232 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.779 -7.193 2.747 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.238 -6.623 -1.137 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.300 -7.491 0.266 1.00 0.00 H new ATOM 204 N HIS A 13 -13.248 -3.188 2.298 1.00 0.00 N ATOM 205 CA HIS A 13 -12.391 -2.378 1.442 1.00 0.00 C ATOM 206 C HIS A 13 -11.652 -1.338 2.271 1.00 0.00 C ATOM 207 O HIS A 13 -10.570 -0.892 1.899 1.00 0.00 O ATOM 208 CB HIS A 13 -13.198 -1.672 0.353 1.00 0.00 C ATOM 209 CG HIS A 13 -14.045 -2.581 -0.473 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.709 -3.888 -0.753 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.224 -2.355 -1.091 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.648 -4.428 -1.511 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.579 -3.518 -1.729 1.00 0.00 N ATOM 0 H HIS A 13 -14.246 -3.110 2.100 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.675 -3.048 0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.838 -0.923 0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.511 -1.139 -0.304 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.784 -1.431 -1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.653 -5.440 -1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.425 -3.656 -2.282 1.00 0.00 H new ATOM 222 N ALA A 14 -12.249 -0.952 3.396 1.00 0.00 N ATOM 223 CA ALA A 14 -11.647 0.036 4.280 1.00 0.00 C ATOM 224 C ALA A 14 -10.365 -0.508 4.890 1.00 0.00 C ATOM 225 O ALA A 14 -9.314 0.124 4.817 1.00 0.00 O ATOM 226 CB ALA A 14 -12.627 0.444 5.369 1.00 0.00 C ATOM 0 H ALA A 14 -13.149 -1.310 3.715 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.400 0.920 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.160 1.183 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.519 0.874 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.905 -0.432 5.955 1.00 0.00 H new ATOM 232 N LYS A 15 -10.457 -1.694 5.481 1.00 0.00 N ATOM 233 CA LYS A 15 -9.294 -2.326 6.086 1.00 0.00 C ATOM 234 C LYS A 15 -8.263 -2.677 5.016 1.00 0.00 C ATOM 235 O LYS A 15 -7.080 -2.851 5.313 1.00 0.00 O ATOM 236 CB LYS A 15 -9.708 -3.586 6.848 1.00 0.00 C ATOM 237 CG LYS A 15 -9.270 -3.588 8.303 1.00 0.00 C ATOM 238 CD LYS A 15 -10.013 -4.642 9.107 1.00 0.00 C ATOM 239 CE LYS A 15 -9.178 -5.901 9.282 1.00 0.00 C ATOM 240 NZ LYS A 15 -10.025 -7.125 9.331 1.00 0.00 N ATOM 0 H LYS A 15 -11.320 -2.233 5.553 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.846 -1.623 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.792 -3.688 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.285 -4.458 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.198 -3.774 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.447 -2.605 8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.274 -4.238 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.948 -4.891 8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.468 -5.983 8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.595 -5.826 10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.419 -7.962 9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.686 -7.058 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.562 -7.211 8.445 1.00 0.00 H new ATOM 254 N GLU A 16 -8.719 -2.780 3.768 1.00 0.00 N ATOM 255 CA GLU A 16 -7.839 -3.111 2.655 1.00 0.00 C ATOM 256 C GLU A 16 -6.957 -1.924 2.276 1.00 0.00 C ATOM 257 O GLU A 16 -5.764 -2.089 2.023 1.00 0.00 O ATOM 258 CB GLU A 16 -8.660 -3.558 1.445 1.00 0.00 C ATOM 259 CG GLU A 16 -9.370 -4.886 1.647 1.00 0.00 C ATOM 260 CD GLU A 16 -8.479 -6.074 1.345 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.324 -5.859 0.923 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.937 -7.222 1.531 1.00 0.00 O ATOM 0 H GLU A 16 -9.694 -2.638 3.505 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.192 -3.929 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.400 -2.791 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.002 -3.635 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.722 -4.953 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.251 -4.924 1.006 1.00 0.00 H new ATOM 269 N ILE A 17 -7.543 -0.729 2.234 1.00 0.00 N ATOM 270 CA ILE A 17 -6.788 0.468 1.883 1.00 0.00 C ATOM 271 C ILE A 17 -5.830 0.849 3.012 1.00 0.00 C ATOM 272 O ILE A 17 -4.701 1.276 2.764 1.00 0.00 O ATOM 273 CB ILE A 17 -7.733 1.651 1.547 1.00 0.00 C ATOM 274 CG1 ILE A 17 -6.964 2.975 1.440 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.841 1.764 2.582 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.165 3.687 0.121 1.00 0.00 C ATOM 0 H ILE A 17 -8.529 -0.566 2.437 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.203 0.245 0.991 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.181 1.446 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.277 3.634 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.901 2.780 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.493 2.600 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.422 0.842 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.404 1.931 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.592 4.614 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.825 3.047 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.223 3.914 -0.013 1.00 0.00 H new ATOM 288 N GLU A 18 -6.280 0.682 4.250 1.00 0.00 N ATOM 289 CA GLU A 18 -5.454 1.002 5.407 1.00 0.00 C ATOM 290 C GLU A 18 -4.335 -0.023 5.569 1.00 0.00 C ATOM 291 O GLU A 18 -3.257 0.292 6.072 1.00 0.00 O ATOM 292 CB GLU A 18 -6.309 1.045 6.676 1.00 0.00 C ATOM 293 CG GLU A 18 -6.738 2.448 7.072 1.00 0.00 C ATOM 294 CD GLU A 18 -6.934 2.596 8.568 1.00 0.00 C ATOM 295 OE1 GLU A 18 -6.848 1.576 9.282 1.00 0.00 O ATOM 296 OE2 GLU A 18 -7.173 3.734 9.027 1.00 0.00 O ATOM 0 H GLU A 18 -7.209 0.328 4.478 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.008 1.984 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.197 0.431 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.748 0.600 7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.987 3.163 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.668 2.698 6.561 1.00 0.00 H new ATOM 303 N ARG A 19 -4.602 -1.251 5.135 1.00 0.00 N ATOM 304 CA ARG A 19 -3.621 -2.325 5.229 1.00 0.00 C ATOM 305 C ARG A 19 -2.495 -2.131 4.218 1.00 0.00 C ATOM 306 O ARG A 19 -1.324 -2.349 4.529 1.00 0.00 O ATOM 307 CB ARG A 19 -4.296 -3.680 5.003 1.00 0.00 C ATOM 308 CG ARG A 19 -3.340 -4.858 5.098 1.00 0.00 C ATOM 309 CD ARG A 19 -4.061 -6.178 4.878 1.00 0.00 C ATOM 310 NE ARG A 19 -5.140 -6.380 5.840 1.00 0.00 N ATOM 311 CZ ARG A 19 -6.015 -7.379 5.766 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.935 -8.261 4.779 1.00 0.00 N ATOM 313 NH2 ARG A 19 -6.969 -7.495 6.679 1.00 0.00 N ATOM 0 H ARG A 19 -5.490 -1.526 4.715 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.191 -2.301 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.091 -3.808 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.767 -3.683 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.548 -4.746 4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.862 -4.862 6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.467 -6.205 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.347 -6.998 4.957 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.228 -5.719 6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.202 -8.174 4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.607 -9.027 4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.033 -6.818 7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.640 -8.261 6.621 1.00 0.00 H new ATOM 327 N LEU A 20 -2.854 -1.718 3.005 1.00 0.00 N ATOM 328 CA LEU A 20 -1.869 -1.495 1.958 1.00 0.00 C ATOM 329 C LEU A 20 -1.052 -0.243 2.249 1.00 0.00 C ATOM 330 O LEU A 20 0.092 -0.124 1.815 1.00 0.00 O ATOM 331 CB LEU A 20 -2.556 -1.378 0.596 1.00 0.00 C ATOM 332 CG LEU A 20 -2.835 -2.708 -0.106 1.00 0.00 C ATOM 333 CD1 LEU A 20 -1.563 -3.534 -0.211 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.917 -3.483 0.630 1.00 0.00 C ATOM 0 H LEU A 20 -3.817 -1.532 2.726 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.193 -2.350 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.500 -0.849 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.934 -0.764 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.190 -2.496 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.782 -4.476 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.817 -2.982 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.177 -3.736 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.102 -4.426 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.591 -3.684 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.835 -2.895 0.651 1.00 0.00 H new ATOM 346 N GLN A 21 -1.644 0.687 2.996 1.00 0.00 N ATOM 347 CA GLN A 21 -0.960 1.923 3.352 1.00 0.00 C ATOM 348 C GLN A 21 0.085 1.661 4.431 1.00 0.00 C ATOM 349 O GLN A 21 1.150 2.280 4.445 1.00 0.00 O ATOM 350 CB GLN A 21 -1.963 2.971 3.840 1.00 0.00 C ATOM 351 CG GLN A 21 -1.744 4.349 3.238 1.00 0.00 C ATOM 352 CD GLN A 21 -3.014 5.178 3.202 1.00 0.00 C ATOM 353 OE1 GLN A 21 -3.366 5.748 2.170 1.00 0.00 O ATOM 354 NE2 GLN A 21 -3.706 5.248 4.332 1.00 0.00 N ATOM 0 H GLN A 21 -2.592 0.606 3.364 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.460 2.305 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.972 2.635 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.900 3.044 4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.986 4.878 3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.356 4.242 2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.375 4.758 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.568 5.791 4.369 1.00 0.00 H new ATOM 363 N LYS A 22 -0.222 0.732 5.328 1.00 0.00 N ATOM 364 CA LYS A 22 0.699 0.381 6.399 1.00 0.00 C ATOM 365 C LYS A 22 1.874 -0.410 5.838 1.00 0.00 C ATOM 366 O LYS A 22 2.996 -0.324 6.340 1.00 0.00 O ATOM 367 CB LYS A 22 -0.019 -0.436 7.475 1.00 0.00 C ATOM 368 CG LYS A 22 0.089 0.164 8.867 1.00 0.00 C ATOM 369 CD LYS A 22 1.393 -0.225 9.543 1.00 0.00 C ATOM 370 CE LYS A 22 1.423 -1.705 9.886 1.00 0.00 C ATOM 371 NZ LYS A 22 1.622 -1.934 11.344 1.00 0.00 N ATOM 0 H LYS A 22 -1.099 0.210 5.334 1.00 0.00 H new ATOM 0 HA LYS A 22 1.073 1.299 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.072 -0.527 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.394 -1.444 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.022 1.250 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.751 -0.172 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.230 0.014 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.522 0.363 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.489 -2.170 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.225 -2.190 9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.637 -2.956 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.525 -1.513 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.843 -1.493 11.874 1.00 0.00 H new ATOM 385 N GLU A 23 1.605 -1.180 4.787 1.00 0.00 N ATOM 386 CA GLU A 23 2.635 -1.987 4.146 1.00 0.00 C ATOM 387 C GLU A 23 3.635 -1.108 3.406 1.00 0.00 C ATOM 388 O GLU A 23 4.843 -1.258 3.577 1.00 0.00 O ATOM 389 CB GLU A 23 2.003 -2.991 3.181 1.00 0.00 C ATOM 390 CG GLU A 23 0.988 -3.911 3.839 1.00 0.00 C ATOM 391 CD GLU A 23 1.504 -5.328 3.998 1.00 0.00 C ATOM 392 OE1 GLU A 23 2.699 -5.492 4.319 1.00 0.00 O ATOM 393 OE2 GLU A 23 0.711 -6.274 3.800 1.00 0.00 O ATOM 0 H GLU A 23 0.681 -1.261 4.362 1.00 0.00 H new ATOM 0 HA GLU A 23 3.168 -2.533 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.517 -2.447 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.791 -3.595 2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.723 -3.513 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.076 -3.925 3.243 1.00 0.00 H new ATOM 400 N ILE A 24 3.133 -0.184 2.590 1.00 0.00 N ATOM 401 CA ILE A 24 4.008 0.714 1.846 1.00 0.00 C ATOM 402 C ILE A 24 4.770 1.618 2.814 1.00 0.00 C ATOM 403 O ILE A 24 5.869 2.077 2.510 1.00 0.00 O ATOM 404 CB ILE A 24 3.217 1.567 0.814 1.00 0.00 C ATOM 405 CG1 ILE A 24 4.054 2.744 0.296 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.917 2.066 1.414 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.547 3.318 -1.008 1.00 0.00 C ATOM 0 H ILE A 24 2.136 -0.039 2.429 1.00 0.00 H new ATOM 0 HA ILE A 24 4.718 0.104 1.287 1.00 0.00 H new ATOM 0 HB ILE A 24 2.986 0.923 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.065 3.531 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.085 2.416 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.380 2.660 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.303 1.216 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.132 2.681 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.186 4.146 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.562 2.545 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.527 3.678 -0.875 1.00 0.00 H new ATOM 419 N GLU A 25 4.182 1.858 3.981 1.00 0.00 N ATOM 420 CA GLU A 25 4.813 2.696 4.991 1.00 0.00 C ATOM 421 C GLU A 25 6.100 2.051 5.495 1.00 0.00 C ATOM 422 O GLU A 25 7.145 2.699 5.570 1.00 0.00 O ATOM 423 CB GLU A 25 3.855 2.933 6.160 1.00 0.00 C ATOM 424 CG GLU A 25 4.432 3.824 7.248 1.00 0.00 C ATOM 425 CD GLU A 25 3.438 4.105 8.359 1.00 0.00 C ATOM 426 OE1 GLU A 25 2.473 3.327 8.503 1.00 0.00 O ATOM 427 OE2 GLU A 25 3.626 5.104 9.084 1.00 0.00 O ATOM 0 H GLU A 25 3.272 1.485 4.249 1.00 0.00 H new ATOM 0 HA GLU A 25 5.058 3.655 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.938 3.384 5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.582 1.972 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.318 3.349 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.755 4.767 6.807 1.00 0.00 H new ATOM 434 N ARG A 26 6.020 0.767 5.836 1.00 0.00 N ATOM 435 CA ARG A 26 7.183 0.037 6.329 1.00 0.00 C ATOM 436 C ARG A 26 8.239 -0.103 5.236 1.00 0.00 C ATOM 437 O ARG A 26 9.438 0.007 5.497 1.00 0.00 O ATOM 438 CB ARG A 26 6.768 -1.345 6.835 1.00 0.00 C ATOM 439 CG ARG A 26 7.941 -2.229 7.223 1.00 0.00 C ATOM 440 CD ARG A 26 7.499 -3.661 7.481 1.00 0.00 C ATOM 441 NE ARG A 26 7.749 -4.071 8.859 1.00 0.00 N ATOM 442 CZ ARG A 26 7.127 -5.085 9.451 1.00 0.00 C ATOM 443 NH1 ARG A 26 6.221 -5.789 8.784 1.00 0.00 N ATOM 444 NH2 ARG A 26 7.409 -5.398 10.708 1.00 0.00 N ATOM 0 H ARG A 26 5.165 0.213 5.780 1.00 0.00 H new ATOM 0 HA ARG A 26 7.613 0.603 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.113 -1.225 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.187 -1.846 6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.687 -2.215 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.420 -1.828 8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.436 -3.757 7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.027 -4.331 6.802 1.00 0.00 H new ATOM 0 HE ARG A 26 8.440 -3.550 9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.002 -5.552 7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.744 -6.567 9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.105 -4.860 11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.930 -6.177 11.159 1.00 0.00 H new ATOM 458 N HIS A 27 7.783 -0.345 4.012 1.00 0.00 N ATOM 459 CA HIS A 27 8.683 -0.501 2.878 1.00 0.00 C ATOM 460 C HIS A 27 9.292 0.839 2.473 1.00 0.00 C ATOM 461 O HIS A 27 10.323 0.880 1.804 1.00 0.00 O ATOM 462 CB HIS A 27 7.940 -1.116 1.691 1.00 0.00 C ATOM 463 CG HIS A 27 8.084 -2.604 1.606 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.297 -3.233 1.414 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.160 -3.592 1.690 1.00 0.00 C ATOM 466 CE1 HIS A 27 9.113 -4.542 1.383 1.00 0.00 C ATOM 467 NE2 HIS A 27 7.826 -4.784 1.549 1.00 0.00 N ATOM 0 H HIS A 27 6.794 -0.437 3.781 1.00 0.00 H new ATOM 0 HA HIS A 27 9.490 -1.169 3.179 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.882 -0.864 1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.311 -0.669 0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.098 -3.465 1.840 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.884 -5.286 1.245 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.395 -5.708 1.569 1.00 0.00 H new ATOM 476 N LYS A 28 8.654 1.933 2.885 1.00 0.00 N ATOM 477 CA LYS A 28 9.146 3.266 2.564 1.00 0.00 C ATOM 478 C LYS A 28 10.293 3.649 3.488 1.00 0.00 C ATOM 479 O LYS A 28 11.247 4.304 3.073 1.00 0.00 O ATOM 480 CB LYS A 28 8.021 4.297 2.677 1.00 0.00 C ATOM 481 CG LYS A 28 8.286 5.574 1.896 1.00 0.00 C ATOM 482 CD LYS A 28 8.556 6.747 2.824 1.00 0.00 C ATOM 483 CE LYS A 28 7.264 7.347 3.354 1.00 0.00 C ATOM 484 NZ LYS A 28 7.272 8.834 3.287 1.00 0.00 N ATOM 0 H LYS A 28 7.798 1.920 3.440 1.00 0.00 H new ATOM 0 HA LYS A 28 9.510 3.254 1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.093 3.850 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.873 4.547 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.140 5.427 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.428 5.799 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.174 6.417 3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.122 7.511 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.422 6.963 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.114 7.031 4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.373 9.203 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.059 9.203 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.389 9.136 2.299 1.00 0.00 H new ATOM 498 N GLN A 29 10.195 3.231 4.745 1.00 0.00 N ATOM 499 CA GLN A 29 11.230 3.524 5.727 1.00 0.00 C ATOM 500 C GLN A 29 12.447 2.635 5.501 1.00 0.00 C ATOM 501 O GLN A 29 13.576 3.019 5.812 1.00 0.00 O ATOM 502 CB GLN A 29 10.692 3.326 7.144 1.00 0.00 C ATOM 503 CG GLN A 29 11.593 3.904 8.223 1.00 0.00 C ATOM 504 CD GLN A 29 11.548 3.106 9.512 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.504 2.572 9.887 1.00 0.00 O ATOM 506 NE2 GLN A 29 12.682 3.020 10.196 1.00 0.00 N ATOM 0 H GLN A 29 9.410 2.689 5.107 1.00 0.00 H new ATOM 0 HA GLN A 29 11.531 4.565 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.708 3.789 7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.558 2.260 7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.619 3.936 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.295 4.933 8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.524 3.479 9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.712 2.495 11.070 1.00 0.00 H new ATOM 515 N SER A 30 12.210 1.447 4.954 1.00 0.00 N ATOM 516 CA SER A 30 13.287 0.503 4.682 1.00 0.00 C ATOM 517 C SER A 30 14.050 0.898 3.419 1.00 0.00 C ATOM 518 O SER A 30 15.278 0.827 3.378 1.00 0.00 O ATOM 519 CB SER A 30 12.728 -0.913 4.533 1.00 0.00 C ATOM 520 OG SER A 30 13.744 -1.885 4.709 1.00 0.00 O ATOM 0 H SER A 30 11.282 1.116 4.691 1.00 0.00 H new ATOM 0 HA SER A 30 13.978 0.525 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.937 -1.073 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.278 -1.028 3.547 1.00 0.00 H new ATOM 0 HG SER A 30 13.360 -2.781 4.610 1.00 0.00 H new ATOM 526 N ILE A 31 13.314 1.313 2.393 1.00 0.00 N ATOM 527 CA ILE A 31 13.922 1.719 1.132 1.00 0.00 C ATOM 528 C ILE A 31 14.557 3.100 1.251 1.00 0.00 C ATOM 529 O ILE A 31 15.512 3.421 0.542 1.00 0.00 O ATOM 530 CB ILE A 31 12.883 1.726 -0.006 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.515 2.170 -1.324 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.713 2.632 0.348 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.411 1.124 -1.948 1.00 0.00 C ATOM 0 H ILE A 31 12.296 1.377 2.411 1.00 0.00 H new ATOM 0 HA ILE A 31 14.699 0.992 0.896 1.00 0.00 H new ATOM 0 HB ILE A 31 12.515 0.708 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.724 2.426 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.094 3.077 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.988 2.626 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.237 2.272 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.074 3.648 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.825 1.508 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.224 0.885 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.832 0.224 -2.152 1.00 0.00 H new ATOM 545 N LYS A 32 14.027 3.911 2.161 1.00 0.00 N ATOM 546 CA LYS A 32 14.546 5.253 2.382 1.00 0.00 C ATOM 547 C LYS A 32 15.761 5.212 3.301 1.00 0.00 C ATOM 548 O LYS A 32 16.678 6.023 3.173 1.00 0.00 O ATOM 549 CB LYS A 32 13.464 6.153 2.982 1.00 0.00 C ATOM 550 CG LYS A 32 13.968 7.532 3.373 1.00 0.00 C ATOM 551 CD LYS A 32 13.223 8.629 2.630 1.00 0.00 C ATOM 552 CE LYS A 32 13.434 8.527 1.129 1.00 0.00 C ATOM 553 NZ LYS A 32 12.200 8.866 0.369 1.00 0.00 N ATOM 0 H LYS A 32 13.238 3.661 2.757 1.00 0.00 H new ATOM 0 HA LYS A 32 14.850 5.664 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.653 6.262 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.045 5.666 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.849 7.673 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.034 7.605 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.158 8.563 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.563 9.603 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.240 9.197 0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.750 7.515 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.387 8.784 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.437 8.211 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.912 9.840 0.591 1.00 0.00 H new ATOM 567 N LYS A 33 15.760 4.257 4.226 1.00 0.00 N ATOM 568 CA LYS A 33 16.866 4.102 5.162 1.00 0.00 C ATOM 569 C LYS A 33 18.053 3.436 4.479 1.00 0.00 C ATOM 570 O LYS A 33 19.207 3.717 4.802 1.00 0.00 O ATOM 571 CB LYS A 33 16.426 3.278 6.374 1.00 0.00 C ATOM 572 CG LYS A 33 17.565 2.931 7.319 1.00 0.00 C ATOM 573 CD LYS A 33 17.144 1.884 8.336 1.00 0.00 C ATOM 574 CE LYS A 33 18.248 1.613 9.346 1.00 0.00 C ATOM 575 NZ LYS A 33 18.645 0.178 9.365 1.00 0.00 N ATOM 0 H LYS A 33 15.006 3.580 4.347 1.00 0.00 H new ATOM 0 HA LYS A 33 17.170 5.092 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.665 3.833 6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.960 2.356 6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.415 2.562 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.896 3.831 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.248 2.221 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.885 0.959 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.117 2.227 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.912 1.910 10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.400 0.036 10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.823 -0.406 9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.990 -0.099 8.424 1.00 0.00 H new ATOM 589 N LEU A 34 17.759 2.556 3.526 1.00 0.00 N ATOM 590 CA LEU A 34 18.802 1.855 2.789 1.00 0.00 C ATOM 591 C LEU A 34 19.471 2.791 1.791 1.00 0.00 C ATOM 592 O LEU A 34 20.690 2.764 1.619 1.00 0.00 O ATOM 593 CB LEU A 34 18.220 0.640 2.064 1.00 0.00 C ATOM 594 CG LEU A 34 18.888 -0.694 2.399 1.00 0.00 C ATOM 595 CD1 LEU A 34 18.010 -1.856 1.963 1.00 0.00 C ATOM 596 CD2 LEU A 34 20.258 -0.783 1.742 1.00 0.00 C ATOM 0 H LEU A 34 16.808 2.313 3.247 1.00 0.00 H new ATOM 0 HA LEU A 34 19.552 1.511 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.159 0.568 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.295 0.807 0.989 1.00 0.00 H new ATOM 0 HG LEU A 34 19.020 -0.751 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.502 -2.797 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.052 -1.802 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.846 -1.804 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.719 -1.739 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.149 -0.703 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.888 0.029 2.104 1.00 0.00 H new ATOM 608 N LYS A 35 18.667 3.625 1.137 1.00 0.00 N ATOM 609 CA LYS A 35 19.187 4.573 0.161 1.00 0.00 C ATOM 610 C LYS A 35 20.009 5.656 0.851 1.00 0.00 C ATOM 611 O LYS A 35 21.016 6.120 0.316 1.00 0.00 O ATOM 612 CB LYS A 35 18.041 5.207 -0.630 1.00 0.00 C ATOM 613 CG LYS A 35 18.194 5.073 -2.136 1.00 0.00 C ATOM 614 CD LYS A 35 18.358 6.429 -2.803 1.00 0.00 C ATOM 615 CE LYS A 35 17.062 7.224 -2.779 1.00 0.00 C ATOM 616 NZ LYS A 35 17.231 8.545 -2.112 1.00 0.00 N ATOM 0 H LYS A 35 17.656 3.662 1.266 1.00 0.00 H new ATOM 0 HA LYS A 35 19.834 4.032 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.102 4.745 -0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.974 6.264 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.059 4.449 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.321 4.567 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.141 6.993 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.682 6.291 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.710 7.375 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.294 6.651 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.325 9.055 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.542 8.401 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.945 9.103 -2.623 1.00 0.00 H new ATOM 630 N GLN A 36 19.576 6.049 2.044 1.00 0.00 N ATOM 631 CA GLN A 36 20.277 7.071 2.809 1.00 0.00 C ATOM 632 C GLN A 36 21.576 6.512 3.379 1.00 0.00 C ATOM 633 O GLN A 36 22.542 7.245 3.588 1.00 0.00 O ATOM 634 CB GLN A 36 19.390 7.593 3.941 1.00 0.00 C ATOM 635 CG GLN A 36 20.108 8.543 4.887 1.00 0.00 C ATOM 636 CD GLN A 36 20.083 8.061 6.325 1.00 0.00 C ATOM 637 OE1 GLN A 36 19.431 8.660 7.181 1.00 0.00 O ATOM 638 NE2 GLN A 36 20.795 6.973 6.598 1.00 0.00 N ATOM 0 H GLN A 36 18.744 5.675 2.501 1.00 0.00 H new ATOM 0 HA GLN A 36 20.515 7.898 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.529 8.104 3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.007 6.747 4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.143 8.659 4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.644 9.528 4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.321 6.508 5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.816 6.602 7.548 1.00 0.00 H new ATOM 647 N SER A 37 21.591 5.205 3.621 1.00 0.00 N ATOM 648 CA SER A 37 22.771 4.542 4.160 1.00 0.00 C ATOM 649 C SER A 37 23.899 4.545 3.137 1.00 0.00 C ATOM 650 O SER A 37 25.077 4.559 3.495 1.00 0.00 O ATOM 651 CB SER A 37 22.435 3.105 4.565 1.00 0.00 C ATOM 652 OG SER A 37 22.014 3.041 5.916 1.00 0.00 O ATOM 0 H SER A 37 20.799 4.585 3.452 1.00 0.00 H new ATOM 0 HA SER A 37 23.099 5.090 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.650 2.716 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 37 23.309 2.470 4.423 1.00 0.00 H new ATOM 0 HG SER A 37 21.050 3.211 5.967 1.00 0.00 H new ATOM 658 N GLU A 38 23.532 4.536 1.858 1.00 0.00 N ATOM 659 CA GLU A 38 24.514 4.541 0.782 1.00 0.00 C ATOM 660 C GLU A 38 25.364 5.808 0.833 1.00 0.00 C ATOM 661 O GLU A 38 26.538 5.795 0.465 1.00 0.00 O ATOM 662 CB GLU A 38 23.817 4.435 -0.576 1.00 0.00 C ATOM 663 CG GLU A 38 24.695 3.843 -1.667 1.00 0.00 C ATOM 664 CD GLU A 38 25.971 4.635 -1.881 1.00 0.00 C ATOM 665 OE1 GLU A 38 25.878 5.859 -2.106 1.00 0.00 O ATOM 666 OE2 GLU A 38 27.061 4.028 -1.825 1.00 0.00 O ATOM 0 H GLU A 38 22.562 4.525 1.544 1.00 0.00 H new ATOM 0 HA GLU A 38 25.167 3.678 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.922 3.822 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.488 5.427 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.949 2.815 -1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.133 3.806 -2.600 1.00 0.00 H new ATOM 673 N ASP A 39 24.761 6.899 1.294 1.00 0.00 N ATOM 674 CA ASP A 39 25.462 8.174 1.397 1.00 0.00 C ATOM 675 C ASP A 39 26.478 8.147 2.535 1.00 0.00 C ATOM 676 O ASP A 39 27.459 8.891 2.522 1.00 0.00 O ATOM 677 CB ASP A 39 24.464 9.313 1.616 1.00 0.00 C ATOM 678 CG ASP A 39 24.551 10.373 0.535 1.00 0.00 C ATOM 679 OD1 ASP A 39 23.956 10.171 -0.544 1.00 0.00 O ATOM 680 OD2 ASP A 39 25.214 11.406 0.769 1.00 0.00 O ATOM 0 H ASP A 39 23.789 6.926 1.602 1.00 0.00 H new ATOM 0 HA ASP A 39 25.996 8.342 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 39 23.453 8.907 1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.648 9.772 2.587 1.00 0.00 H new ATOM 685 N ASP A 40 26.237 7.285 3.517 1.00 0.00 N ATOM 686 CA ASP A 40 27.131 7.161 4.664 1.00 0.00 C ATOM 687 C ASP A 40 27.035 8.387 5.565 1.00 0.00 C ATOM 688 O ASP A 40 27.484 9.474 5.201 1.00 0.00 O ATOM 689 CB ASP A 40 28.574 6.969 4.195 1.00 0.00 C ATOM 690 CG ASP A 40 29.246 5.782 4.858 1.00 0.00 C ATOM 691 OD1 ASP A 40 29.031 5.581 6.072 1.00 0.00 O ATOM 692 OD2 ASP A 40 29.985 5.055 4.163 1.00 0.00 O ATOM 0 H ASP A 40 25.430 6.662 3.542 1.00 0.00 H new ATOM 0 HA ASP A 40 26.824 6.287 5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 40 28.586 6.832 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 40 29.146 7.872 4.409 1.00 0.00 H new ATOM 697 N ASP A 41 26.446 8.205 6.742 1.00 0.00 N ATOM 698 CA ASP A 41 26.290 9.296 7.697 1.00 0.00 C ATOM 699 C ASP A 41 25.671 10.520 7.029 1.00 0.00 C ATOM 700 O ASP A 41 25.118 10.371 5.919 1.00 0.00 O ATOM 701 CB ASP A 41 27.644 9.665 8.307 1.00 0.00 C ATOM 702 CG ASP A 41 27.537 10.025 9.776 1.00 0.00 C ATOM 703 OD1 ASP A 41 27.301 9.114 10.596 1.00 0.00 O ATOM 704 OD2 ASP A 41 27.688 11.221 10.106 1.00 0.00 O ATOM 705 OXT ASP A 41 25.743 11.616 7.622 1.00 0.00 O ATOM 0 H ASP A 41 26.069 7.312 7.058 1.00 0.00 H new ATOM 0 HA ASP A 41 25.621 8.959 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 41 28.332 8.828 8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 41 28.069 10.506 7.760 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 31.674 -4.567 -9.305 1.00 0.00 N ATOM 712 CA ALA B 1 30.830 -3.532 -8.652 1.00 0.00 C ATOM 713 C ALA B 1 30.990 -3.573 -7.136 1.00 0.00 C ATOM 714 O ALA B 1 31.100 -4.645 -6.542 1.00 0.00 O ATOM 715 CB ALA B 1 29.371 -3.725 -9.033 1.00 0.00 C ATOM 0 H1 ALA B 1 31.142 -5.010 -10.081 1.00 0.00 H new ATOM 0 H2 ALA B 1 32.535 -4.124 -9.685 1.00 0.00 H new ATOM 0 H3 ALA B 1 31.937 -5.292 -8.607 1.00 0.00 H new ATOM 0 HA ALA B 1 31.160 -2.554 -9.002 1.00 0.00 H new ATOM 0 HB1 ALA B 1 28.764 -2.960 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA B 1 29.263 -3.642 -10.114 1.00 0.00 H new ATOM 0 HB3 ALA B 1 29.038 -4.711 -8.710 1.00 0.00 H new ATOM 723 N LEU B 2 31.003 -2.398 -6.515 1.00 0.00 N ATOM 724 CA LEU B 2 31.149 -2.299 -5.068 1.00 0.00 C ATOM 725 C LEU B 2 29.791 -2.137 -4.393 1.00 0.00 C ATOM 726 O LEU B 2 28.924 -1.415 -4.887 1.00 0.00 O ATOM 727 CB LEU B 2 32.055 -1.122 -4.705 1.00 0.00 C ATOM 728 CG LEU B 2 33.086 -1.411 -3.611 1.00 0.00 C ATOM 729 CD1 LEU B 2 34.131 -2.397 -4.111 1.00 0.00 C ATOM 730 CD2 LEU B 2 33.746 -0.121 -3.148 1.00 0.00 C ATOM 0 H LEU B 2 30.914 -1.501 -6.992 1.00 0.00 H new ATOM 0 HA LEU B 2 31.604 -3.223 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU B 2 32.582 -0.798 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU B 2 31.431 -0.288 -4.384 1.00 0.00 H new ATOM 0 HG LEU B 2 32.571 -1.858 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU B 2 34.856 -2.591 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.644 -3.330 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU B 2 34.642 -1.977 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU B 2 34.476 -0.345 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU B 2 34.248 0.354 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU B 2 32.988 0.553 -2.751 1.00 0.00 H new ATOM 742 N LYS B 3 29.612 -2.812 -3.263 1.00 0.00 N ATOM 743 CA LYS B 3 28.360 -2.743 -2.521 1.00 0.00 C ATOM 744 C LYS B 3 27.177 -3.102 -3.414 1.00 0.00 C ATOM 745 O LYS B 3 26.074 -2.581 -3.241 1.00 0.00 O ATOM 746 CB LYS B 3 28.165 -1.343 -1.937 1.00 0.00 C ATOM 747 CG LYS B 3 29.040 -1.061 -0.726 1.00 0.00 C ATOM 748 CD LYS B 3 30.278 -0.267 -1.104 1.00 0.00 C ATOM 749 CE LYS B 3 30.860 0.463 0.095 1.00 0.00 C ATOM 750 NZ LYS B 3 31.786 1.554 -0.315 1.00 0.00 N ATOM 0 H LYS B 3 30.319 -3.414 -2.841 1.00 0.00 H new ATOM 0 HA LYS B 3 28.410 -3.466 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS B 3 28.378 -0.604 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS B 3 27.119 -1.218 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS B 3 28.466 -0.509 0.018 1.00 0.00 H new ATOM 0 HG3 LYS B 3 29.338 -2.002 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS B 3 31.028 -0.938 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS B 3 30.026 0.453 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS B 3 30.050 0.880 0.694 1.00 0.00 H new ATOM 0 HE3 LYS B 3 31.393 -0.246 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 32.002 2.153 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 32.667 1.142 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 31.337 2.130 -1.055 1.00 0.00 H new ATOM 764 N LYS B 4 27.413 -3.995 -4.370 1.00 0.00 N ATOM 765 CA LYS B 4 26.367 -4.424 -5.291 1.00 0.00 C ATOM 766 C LYS B 4 25.220 -5.090 -4.538 1.00 0.00 C ATOM 767 O LYS B 4 24.052 -4.921 -4.891 1.00 0.00 O ATOM 768 CB LYS B 4 26.939 -5.388 -6.332 1.00 0.00 C ATOM 769 CG LYS B 4 26.549 -5.043 -7.760 1.00 0.00 C ATOM 770 CD LYS B 4 25.523 -6.021 -8.308 1.00 0.00 C ATOM 771 CE LYS B 4 24.915 -5.520 -9.608 1.00 0.00 C ATOM 772 NZ LYS B 4 23.433 -5.656 -9.619 1.00 0.00 N ATOM 0 H LYS B 4 28.320 -4.435 -4.527 1.00 0.00 H new ATOM 0 HA LYS B 4 25.979 -3.541 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS B 4 28.026 -5.393 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.598 -6.398 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS B 4 26.144 -4.032 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.436 -5.052 -8.393 1.00 0.00 H new ATOM 0 HD2 LYS B 4 25.995 -6.989 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS B 4 24.734 -6.174 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS B 4 25.184 -4.474 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS B 4 25.337 -6.078 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 23.059 -5.303 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 23.175 -6.657 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 23.028 -5.103 -8.837 1.00 0.00 H new ATOM 786 N HIS B 5 25.560 -5.849 -3.503 1.00 0.00 N ATOM 787 CA HIS B 5 24.558 -6.542 -2.700 1.00 0.00 C ATOM 788 C HIS B 5 23.533 -5.558 -2.145 1.00 0.00 C ATOM 789 O HIS B 5 22.328 -5.791 -2.222 1.00 0.00 O ATOM 790 CB HIS B 5 25.227 -7.301 -1.554 1.00 0.00 C ATOM 791 CG HIS B 5 26.354 -6.551 -0.916 1.00 0.00 C ATOM 792 ND1 HIS B 5 27.678 -6.756 -1.247 1.00 0.00 N ATOM 793 CD2 HIS B 5 26.352 -5.590 0.039 1.00 0.00 C ATOM 794 CE1 HIS B 5 28.440 -5.954 -0.523 1.00 0.00 C ATOM 795 NE2 HIS B 5 27.660 -5.237 0.264 1.00 0.00 N ATOM 0 H HIS B 5 26.522 -6.001 -3.199 1.00 0.00 H new ATOM 0 HA HIS B 5 24.041 -7.254 -3.343 1.00 0.00 H new ATOM 0 HB2 HIS B 5 24.479 -7.530 -0.795 1.00 0.00 H new ATOM 0 HB3 HIS B 5 25.602 -8.253 -1.930 1.00 0.00 H new ATOM 0 HD2 HIS B 5 25.484 -5.178 0.532 1.00 0.00 H new ATOM 0 HE1 HIS B 5 29.517 -5.896 -0.568 1.00 0.00 H new ATOM 0 HE2 HIS B 5 27.977 -4.534 0.932 1.00 0.00 H new ATOM 804 N HIS B 6 24.023 -4.455 -1.587 1.00 0.00 N ATOM 805 CA HIS B 6 23.149 -3.435 -1.019 1.00 0.00 C ATOM 806 C HIS B 6 22.218 -2.866 -2.083 1.00 0.00 C ATOM 807 O HIS B 6 21.013 -2.743 -1.865 1.00 0.00 O ATOM 808 CB HIS B 6 23.979 -2.310 -0.396 1.00 0.00 C ATOM 809 CG HIS B 6 23.759 -2.151 1.077 1.00 0.00 C ATOM 810 ND1 HIS B 6 23.460 -3.206 1.913 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.797 -1.049 1.864 1.00 0.00 C ATOM 812 CE1 HIS B 6 23.323 -2.761 3.149 1.00 0.00 C ATOM 813 NE2 HIS B 6 23.522 -1.456 3.145 1.00 0.00 N ATOM 0 H HIS B 6 25.019 -4.245 -1.516 1.00 0.00 H new ATOM 0 HA HIS B 6 22.543 -3.902 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS B 6 25.036 -2.505 -0.579 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.737 -1.372 -0.895 1.00 0.00 H new ATOM 0 HD2 HIS B 6 24.005 -0.039 1.543 1.00 0.00 H new ATOM 0 HE1 HIS B 6 23.088 -3.362 4.015 1.00 0.00 H new ATOM 0 HE2 HIS B 6 23.478 -0.848 3.963 1.00 0.00 H new ATOM 822 N GLU B 7 22.782 -2.526 -3.238 1.00 0.00 N ATOM 823 CA GLU B 7 21.998 -1.976 -4.337 1.00 0.00 C ATOM 824 C GLU B 7 20.878 -2.933 -4.731 1.00 0.00 C ATOM 825 O GLU B 7 19.853 -2.517 -5.271 1.00 0.00 O ATOM 826 CB GLU B 7 22.896 -1.694 -5.543 1.00 0.00 C ATOM 827 CG GLU B 7 22.278 -0.735 -6.548 1.00 0.00 C ATOM 828 CD GLU B 7 23.160 -0.517 -7.762 1.00 0.00 C ATOM 829 OE1 GLU B 7 24.346 -0.905 -7.711 1.00 0.00 O ATOM 830 OE2 GLU B 7 22.665 0.040 -8.763 1.00 0.00 O ATOM 0 H GLU B 7 23.778 -2.622 -3.436 1.00 0.00 H new ATOM 0 HA GLU B 7 21.552 -1.039 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.842 -1.281 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU B 7 23.125 -2.635 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU B 7 21.312 -1.124 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU B 7 22.090 0.223 -6.063 1.00 0.00 H new ATOM 837 N ASN B 8 21.080 -4.217 -4.453 1.00 0.00 N ATOM 838 CA ASN B 8 20.084 -5.232 -4.772 1.00 0.00 C ATOM 839 C ASN B 8 18.884 -5.109 -3.843 1.00 0.00 C ATOM 840 O ASN B 8 17.756 -4.906 -4.291 1.00 0.00 O ATOM 841 CB ASN B 8 20.692 -6.631 -4.662 1.00 0.00 C ATOM 842 CG ASN B 8 20.727 -7.353 -5.995 1.00 0.00 C ATOM 843 OD1 ASN B 8 20.415 -6.776 -7.036 1.00 0.00 O ATOM 844 ND2 ASN B 8 21.110 -8.625 -5.969 1.00 0.00 N ATOM 0 H ASN B 8 21.924 -4.578 -4.008 1.00 0.00 H new ATOM 0 HA ASN B 8 19.751 -5.075 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN B 8 21.705 -6.554 -4.267 1.00 0.00 H new ATOM 0 HB3 ASN B 8 20.116 -7.220 -3.948 1.00 0.00 H new ATOM 0 HD21 ASN B 8 21.154 -9.162 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN B 8 21.360 -9.064 -5.083 1.00 0.00 H new ATOM 851 N GLU B 9 19.139 -5.219 -2.543 1.00 0.00 N ATOM 852 CA GLU B 9 18.079 -5.104 -1.549 1.00 0.00 C ATOM 853 C GLU B 9 17.375 -3.754 -1.673 1.00 0.00 C ATOM 854 O GLU B 9 16.235 -3.594 -1.236 1.00 0.00 O ATOM 855 CB GLU B 9 18.653 -5.268 -0.140 1.00 0.00 C ATOM 856 CG GLU B 9 17.678 -5.897 0.842 1.00 0.00 C ATOM 857 CD GLU B 9 17.571 -7.400 0.674 1.00 0.00 C ATOM 858 OE1 GLU B 9 18.503 -8.114 1.098 1.00 0.00 O ATOM 859 OE2 GLU B 9 16.551 -7.863 0.120 1.00 0.00 O ATOM 0 H GLU B 9 20.067 -5.387 -2.155 1.00 0.00 H new ATOM 0 HA GLU B 9 17.351 -5.896 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.552 -5.883 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU B 9 18.956 -4.291 0.236 1.00 0.00 H new ATOM 0 HG2 GLU B 9 17.996 -5.670 1.860 1.00 0.00 H new ATOM 0 HG3 GLU B 9 16.693 -5.449 0.708 1.00 0.00 H new ATOM 866 N ILE B 10 18.065 -2.785 -2.271 1.00 0.00 N ATOM 867 CA ILE B 10 17.513 -1.451 -2.454 1.00 0.00 C ATOM 868 C ILE B 10 16.437 -1.460 -3.547 1.00 0.00 C ATOM 869 O ILE B 10 15.331 -0.962 -3.349 1.00 0.00 O ATOM 870 CB ILE B 10 18.659 -0.427 -2.761 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.712 0.643 -1.671 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.546 0.229 -4.139 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.084 0.797 -1.051 1.00 0.00 C ATOM 0 H ILE B 10 19.010 -2.903 -2.637 1.00 0.00 H new ATOM 0 HA ILE B 10 17.030 -1.133 -1.530 1.00 0.00 H new ATOM 0 HB ILE B 10 19.587 -0.999 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.403 1.599 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE B 10 17.994 0.393 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.373 0.925 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.582 -0.539 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE B 10 17.602 0.769 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.052 1.572 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.387 -0.147 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.802 1.077 -1.822 1.00 0.00 H new ATOM 885 N SER B 11 16.779 -2.032 -4.698 1.00 0.00 N ATOM 886 CA SER B 11 15.849 -2.107 -5.818 1.00 0.00 C ATOM 887 C SER B 11 14.623 -2.936 -5.451 1.00 0.00 C ATOM 888 O SER B 11 13.529 -2.711 -5.973 1.00 0.00 O ATOM 889 CB SER B 11 16.539 -2.710 -7.042 1.00 0.00 C ATOM 890 OG SER B 11 17.783 -2.077 -7.291 1.00 0.00 O ATOM 0 H SER B 11 17.692 -2.449 -4.878 1.00 0.00 H new ATOM 0 HA SER B 11 15.523 -1.094 -6.056 1.00 0.00 H new ATOM 0 HB2 SER B 11 16.696 -3.777 -6.886 1.00 0.00 H new ATOM 0 HB3 SER B 11 15.894 -2.607 -7.915 1.00 0.00 H new ATOM 0 HG SER B 11 18.451 -2.406 -6.654 1.00 0.00 H new ATOM 896 N HIS B 12 14.809 -3.894 -4.549 1.00 0.00 N ATOM 897 CA HIS B 12 13.717 -4.752 -4.117 1.00 0.00 C ATOM 898 C HIS B 12 12.728 -3.957 -3.257 1.00 0.00 C ATOM 899 O HIS B 12 11.517 -4.027 -3.467 1.00 0.00 O ATOM 900 CB HIS B 12 14.288 -5.992 -3.389 1.00 0.00 C ATOM 901 CG HIS B 12 13.666 -6.322 -2.061 1.00 0.00 C ATOM 902 ND1 HIS B 12 14.129 -6.142 -0.805 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 12.425 -6.912 -1.933 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 13.170 -6.622 0.054 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 12.152 -7.081 -0.651 1.00 0.00 N flip ATOM 0 H HIS B 12 15.705 -4.094 -4.105 1.00 0.00 H new ATOM 0 HA HIS B 12 13.159 -5.113 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS B 12 14.177 -6.856 -4.044 1.00 0.00 H new ATOM 0 HB3 HIS B 12 15.357 -5.840 -3.239 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.779 -7.192 -2.752 1.00 0.00 H new ATOM 0 HE1 HIS B 12 13.238 -6.624 1.132 1.00 0.00 H new ATOM 0 HE2 HIS B 12 11.301 -7.495 -0.271 1.00 0.00 H new ATOM 914 N HIS B 13 13.248 -3.188 -2.302 1.00 0.00 N ATOM 915 CA HIS B 13 12.392 -2.379 -1.444 1.00 0.00 C ATOM 916 C HIS B 13 11.652 -1.338 -2.273 1.00 0.00 C ATOM 917 O HIS B 13 10.570 -0.893 -1.902 1.00 0.00 O ATOM 918 CB HIS B 13 13.200 -1.673 -0.356 1.00 0.00 C ATOM 919 CG HIS B 13 14.047 -2.583 0.470 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.711 -3.890 0.749 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.225 -2.357 1.087 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.650 -4.430 1.506 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.580 -3.520 1.725 1.00 0.00 N ATOM 0 H HIS B 13 14.246 -3.110 -2.106 1.00 0.00 H new ATOM 0 HA HIS B 13 11.677 -3.049 -0.966 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.840 -0.925 -0.823 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.513 -1.139 0.301 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.785 -1.433 1.080 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.655 -5.443 1.881 1.00 0.00 H new ATOM 0 HE2 HIS B 13 16.426 -3.658 2.278 1.00 0.00 H new ATOM 932 N ALA B 14 12.250 -0.952 -3.398 1.00 0.00 N ATOM 933 CA ALA B 14 11.647 0.037 -4.281 1.00 0.00 C ATOM 934 C ALA B 14 10.366 -0.507 -4.892 1.00 0.00 C ATOM 935 O ALA B 14 9.314 0.125 -4.818 1.00 0.00 O ATOM 936 CB ALA B 14 12.627 0.445 -5.370 1.00 0.00 C ATOM 0 H ALA B 14 13.150 -1.310 -3.717 1.00 0.00 H new ATOM 0 HA ALA B 14 11.399 0.921 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.160 1.184 -6.021 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.519 0.874 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA B 14 12.905 -0.431 -5.956 1.00 0.00 H new ATOM 942 N LYS B 15 10.456 -1.692 -5.483 1.00 0.00 N ATOM 943 CA LYS B 15 9.294 -2.325 -6.087 1.00 0.00 C ATOM 944 C LYS B 15 8.262 -2.676 -5.017 1.00 0.00 C ATOM 945 O LYS B 15 7.080 -2.849 -5.314 1.00 0.00 O ATOM 946 CB LYS B 15 9.707 -3.585 -6.851 1.00 0.00 C ATOM 947 CG LYS B 15 9.268 -3.586 -8.305 1.00 0.00 C ATOM 948 CD LYS B 15 10.011 -4.640 -9.111 1.00 0.00 C ATOM 949 CE LYS B 15 9.176 -5.899 -9.284 1.00 0.00 C ATOM 950 NZ LYS B 15 10.021 -7.124 -9.335 1.00 0.00 N ATOM 0 H LYS B 15 11.319 -2.231 -5.556 1.00 0.00 H new ATOM 0 HA LYS B 15 8.846 -1.621 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.791 -3.687 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.285 -4.457 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.196 -3.772 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS B 15 9.445 -2.602 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.269 -4.236 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS B 15 10.947 -4.889 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.468 -5.981 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.591 -5.823 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.414 -7.960 -9.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.680 -7.058 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 10.560 -7.211 -8.450 1.00 0.00 H new ATOM 964 N GLU B 16 8.719 -2.780 -3.769 1.00 0.00 N ATOM 965 CA GLU B 16 7.840 -3.110 -2.656 1.00 0.00 C ATOM 966 C GLU B 16 6.958 -1.924 -2.276 1.00 0.00 C ATOM 967 O GLU B 16 5.765 -2.088 -2.023 1.00 0.00 O ATOM 968 CB GLU B 16 8.661 -3.557 -1.446 1.00 0.00 C ATOM 969 CG GLU B 16 9.370 -4.885 -1.649 1.00 0.00 C ATOM 970 CD GLU B 16 8.478 -6.074 -1.348 1.00 0.00 C ATOM 971 OE1 GLU B 16 7.323 -5.857 -0.925 1.00 0.00 O ATOM 972 OE2 GLU B 16 8.935 -7.221 -1.534 1.00 0.00 O ATOM 0 H GLU B 16 9.695 -2.640 -3.507 1.00 0.00 H new ATOM 0 HA GLU B 16 7.193 -3.928 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.401 -2.791 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.004 -3.634 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.722 -4.951 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU B 16 10.251 -4.924 -1.008 1.00 0.00 H new ATOM 979 N ILE B 17 7.543 -0.728 -2.234 1.00 0.00 N ATOM 980 CA ILE B 17 6.788 0.468 -1.883 1.00 0.00 C ATOM 981 C ILE B 17 5.830 0.850 -3.012 1.00 0.00 C ATOM 982 O ILE B 17 4.701 1.276 -2.764 1.00 0.00 O ATOM 983 CB ILE B 17 7.733 1.652 -1.545 1.00 0.00 C ATOM 984 CG1 ILE B 17 6.964 2.975 -1.439 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.842 1.764 -2.580 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.165 3.686 -0.120 1.00 0.00 C ATOM 0 H ILE B 17 8.529 -0.564 -2.437 1.00 0.00 H new ATOM 0 HA ILE B 17 6.202 0.243 -0.992 1.00 0.00 H new ATOM 0 HB ILE B 17 8.180 1.449 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE B 17 7.277 3.634 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE B 17 5.901 2.780 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.494 2.600 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.423 0.842 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.405 1.931 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.592 4.613 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE B 17 6.825 3.046 0.694 1.00 0.00 H new ATOM 0 HD13 ILE B 17 8.223 3.912 0.014 1.00 0.00 H new ATOM 998 N GLU B 18 6.280 0.684 -4.250 1.00 0.00 N ATOM 999 CA GLU B 18 5.454 1.003 -5.407 1.00 0.00 C ATOM 1000 C GLU B 18 4.335 -0.021 -5.568 1.00 0.00 C ATOM 1001 O GLU B 18 3.256 0.294 -6.071 1.00 0.00 O ATOM 1002 CB GLU B 18 6.310 1.046 -6.675 1.00 0.00 C ATOM 1003 CG GLU B 18 6.736 2.450 -7.073 1.00 0.00 C ATOM 1004 CD GLU B 18 6.932 2.597 -8.569 1.00 0.00 C ATOM 1005 OE1 GLU B 18 6.846 1.575 -9.283 1.00 0.00 O ATOM 1006 OE2 GLU B 18 7.171 3.734 -9.028 1.00 0.00 O ATOM 0 H GLU B 18 7.210 0.331 -4.478 1.00 0.00 H new ATOM 0 HA GLU B 18 5.007 1.984 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.199 0.434 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU B 18 5.751 0.598 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.983 3.163 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.665 2.703 -6.562 1.00 0.00 H new ATOM 1013 N ARG B 19 4.602 -1.250 -5.135 1.00 0.00 N ATOM 1014 CA ARG B 19 3.621 -2.324 -5.229 1.00 0.00 C ATOM 1015 C ARG B 19 2.495 -2.130 -4.218 1.00 0.00 C ATOM 1016 O ARG B 19 1.323 -2.348 -4.529 1.00 0.00 O ATOM 1017 CB ARG B 19 4.295 -3.679 -5.004 1.00 0.00 C ATOM 1018 CG ARG B 19 3.340 -4.857 -5.100 1.00 0.00 C ATOM 1019 CD ARG B 19 4.061 -6.178 -4.879 1.00 0.00 C ATOM 1020 NE ARG B 19 5.140 -6.380 -5.842 1.00 0.00 N ATOM 1021 CZ ARG B 19 6.014 -7.378 -5.769 1.00 0.00 C ATOM 1022 NH1 ARG B 19 5.935 -8.261 -4.783 1.00 0.00 N ATOM 1023 NH2 ARG B 19 6.968 -7.495 -6.682 1.00 0.00 N ATOM 0 H ARG B 19 5.490 -1.526 -4.716 1.00 0.00 H new ATOM 0 HA ARG B 19 3.191 -2.299 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.090 -3.806 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG B 19 4.765 -3.683 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG B 19 2.547 -4.746 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG B 19 2.863 -4.861 -6.080 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.468 -6.204 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG B 19 3.347 -6.998 -4.957 1.00 0.00 H new ATOM 0 HE ARG B 19 5.228 -5.718 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG B 19 5.202 -8.175 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG B 19 6.607 -9.026 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG B 19 7.032 -6.818 -7.442 1.00 0.00 H new ATOM 0 HH22 ARG B 19 7.638 -8.262 -6.624 1.00 0.00 H new ATOM 1037 N LEU B 20 2.855 -1.717 -3.006 1.00 0.00 N ATOM 1038 CA LEU B 20 1.869 -1.496 -1.958 1.00 0.00 C ATOM 1039 C LEU B 20 1.052 -0.243 -2.249 1.00 0.00 C ATOM 1040 O LEU B 20 -0.092 -0.124 -1.814 1.00 0.00 O ATOM 1041 CB LEU B 20 2.556 -1.379 -0.597 1.00 0.00 C ATOM 1042 CG LEU B 20 2.835 -2.709 0.106 1.00 0.00 C ATOM 1043 CD1 LEU B 20 1.563 -3.535 0.210 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.918 -3.483 -0.630 1.00 0.00 C ATOM 0 H LEU B 20 3.818 -1.530 -2.728 1.00 0.00 H new ATOM 0 HA LEU B 20 1.193 -2.351 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.500 -0.850 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.935 -0.765 0.055 1.00 0.00 H new ATOM 0 HG LEU B 20 3.189 -2.498 1.115 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.781 -4.477 0.713 1.00 0.00 H new ATOM 0 HD12 LEU B 20 0.817 -2.983 0.781 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.178 -3.738 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.104 -4.426 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.592 -3.684 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.835 -2.895 -0.651 1.00 0.00 H new ATOM 1056 N GLN B 21 1.644 0.686 -2.995 1.00 0.00 N ATOM 1057 CA GLN B 21 0.960 1.924 -3.352 1.00 0.00 C ATOM 1058 C GLN B 21 -0.085 1.662 -4.430 1.00 0.00 C ATOM 1059 O GLN B 21 -1.150 2.281 -4.444 1.00 0.00 O ATOM 1060 CB GLN B 21 1.963 2.971 -3.839 1.00 0.00 C ATOM 1061 CG GLN B 21 1.744 4.350 -3.237 1.00 0.00 C ATOM 1062 CD GLN B 21 3.013 5.178 -3.201 1.00 0.00 C ATOM 1063 OE1 GLN B 21 3.367 5.749 -2.169 1.00 0.00 O ATOM 1064 NE2 GLN B 21 3.707 5.249 -4.331 1.00 0.00 N ATOM 0 H GLN B 21 2.592 0.605 -3.362 1.00 0.00 H new ATOM 0 HA GLN B 21 0.460 2.307 -2.462 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.972 2.635 -3.599 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.901 3.044 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.986 4.879 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN B 21 1.356 4.243 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.378 4.760 -5.163 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.570 5.792 -4.366 1.00 0.00 H new ATOM 1073 N LYS B 22 0.221 0.733 -5.328 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.699 0.381 -6.398 1.00 0.00 C ATOM 1075 C LYS B 22 -1.874 -0.410 -5.837 1.00 0.00 C ATOM 1076 O LYS B 22 -2.997 -0.323 -6.339 1.00 0.00 O ATOM 1077 CB LYS B 22 0.019 -0.436 -7.475 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.090 0.165 -8.866 1.00 0.00 C ATOM 1079 CD LYS B 22 -1.396 -0.224 -9.541 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.425 -1.705 -9.885 1.00 0.00 C ATOM 1081 NZ LYS B 22 -1.625 -1.933 -11.343 1.00 0.00 N ATOM 0 H LYS B 22 1.098 0.212 -5.335 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.073 1.299 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.072 -0.527 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.394 -1.445 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -0.023 1.251 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.749 -0.170 -9.475 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -2.232 0.014 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -1.527 0.364 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.490 -2.169 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -2.226 -2.191 -9.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -1.639 -2.955 -11.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.529 -1.512 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -0.847 -1.491 -11.873 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.606 -1.179 -4.786 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.635 -1.987 -4.146 1.00 0.00 C ATOM 1097 C GLU B 23 -3.635 -1.107 -3.405 1.00 0.00 C ATOM 1098 O GLU B 23 -4.843 -1.257 -3.576 1.00 0.00 O ATOM 1099 CB GLU B 23 -2.003 -2.990 -3.181 1.00 0.00 C ATOM 1100 CG GLU B 23 -0.988 -3.911 -3.840 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.504 -5.328 -3.998 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -2.700 -5.493 -4.318 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -0.711 -6.274 -3.800 1.00 0.00 O ATOM 0 H GLU B 23 -0.683 -1.259 -4.360 1.00 0.00 H new ATOM 0 HA GLU B 23 -3.168 -2.533 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -1.516 -2.446 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.791 -3.594 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.724 -3.513 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -0.075 -3.925 -3.245 1.00 0.00 H new ATOM 1110 N ILE B 24 -3.133 -0.184 -2.589 1.00 0.00 N ATOM 1111 CA ILE B 24 -4.007 0.714 -1.845 1.00 0.00 C ATOM 1112 C ILE B 24 -4.770 1.617 -2.812 1.00 0.00 C ATOM 1113 O ILE B 24 -5.869 2.076 -2.509 1.00 0.00 O ATOM 1114 CB ILE B 24 -3.216 1.567 -0.813 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -4.054 2.744 -0.296 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.916 2.066 -1.413 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.546 3.318 1.010 1.00 0.00 C ATOM 0 H ILE B 24 -2.136 -0.040 -2.428 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.716 0.104 -1.286 1.00 0.00 H new ATOM 0 HB ILE B 24 -2.984 0.924 0.036 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -4.065 3.531 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -5.085 2.415 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.379 2.660 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.302 1.216 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -2.131 2.681 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -4.185 4.146 1.317 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -3.561 2.544 1.778 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -2.526 3.677 0.877 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.182 1.859 -3.979 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.813 2.696 -4.990 1.00 0.00 C ATOM 1131 C GLU B 25 -6.101 2.051 -5.493 1.00 0.00 C ATOM 1132 O GLU B 25 -7.146 2.701 -5.568 1.00 0.00 O ATOM 1133 CB GLU B 25 -3.855 2.935 -6.159 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.433 3.825 -7.247 1.00 0.00 C ATOM 1135 CD GLU B 25 -3.441 4.106 -8.357 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -2.474 3.327 -8.502 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -3.628 5.106 -9.083 1.00 0.00 O ATOM 0 H GLU B 25 -3.271 1.487 -4.247 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.058 3.655 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -2.938 3.387 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.580 1.974 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.319 3.349 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.757 4.768 -6.806 1.00 0.00 H new ATOM 1144 N ARG B 26 -6.021 0.768 -5.834 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.184 0.038 -6.327 1.00 0.00 C ATOM 1146 C ARG B 26 -8.239 -0.103 -5.234 1.00 0.00 C ATOM 1147 O ARG B 26 -9.439 0.009 -5.495 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.769 -1.345 -6.833 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.942 -2.229 -7.221 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.500 -3.660 -7.478 1.00 0.00 C ATOM 1151 NE ARG B 26 -7.751 -4.070 -8.858 1.00 0.00 N ATOM 1152 CZ ARG B 26 -7.129 -5.085 -9.448 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -6.223 -5.788 -8.782 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -7.412 -5.398 -10.706 1.00 0.00 N ATOM 0 H ARG B 26 -5.166 0.214 -5.778 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.614 0.604 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -6.114 -1.225 -7.696 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.188 -1.846 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.688 -2.215 -6.426 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -8.420 -1.829 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.437 -3.756 -7.259 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -8.027 -4.330 -6.799 1.00 0.00 H new ATOM 0 HE ARG B 26 -8.442 -3.548 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.003 -5.550 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -5.747 -6.567 -9.237 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -8.108 -4.859 -11.221 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.934 -6.177 -11.158 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.783 -0.345 -4.010 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.684 -0.500 -2.876 1.00 0.00 C ATOM 1170 C HIS B 27 -9.292 0.839 -2.471 1.00 0.00 C ATOM 1171 O HIS B 27 -10.322 0.880 -1.802 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.940 -1.117 -1.690 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.083 -2.605 -1.606 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.296 -3.235 -1.414 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.159 -3.591 -1.691 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -9.111 -4.543 -1.383 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -7.824 -4.784 -1.551 1.00 0.00 N ATOM 0 H HIS B 27 -6.794 -0.438 -3.779 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.493 -1.166 -3.176 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.882 -0.865 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.310 -0.671 -0.767 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.097 -3.463 -1.841 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.881 -5.287 -1.244 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -7.393 -5.708 -1.573 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.654 1.932 -2.882 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.146 3.267 -2.561 1.00 0.00 C ATOM 1188 C LYS B 28 -10.293 3.650 -3.485 1.00 0.00 C ATOM 1189 O LYS B 28 -11.247 4.305 -3.068 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.020 4.297 -2.674 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.285 5.574 -1.893 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.555 6.748 -2.821 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.264 7.347 -3.352 1.00 0.00 C ATOM 1194 NZ LYS B 28 -7.272 8.835 -3.283 1.00 0.00 N ATOM 0 H LYS B 28 -7.798 1.919 -3.436 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.510 3.256 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.092 3.849 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.871 4.547 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.139 5.427 -1.232 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.427 5.799 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.174 6.419 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.119 7.513 -2.287 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.422 6.962 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.116 7.032 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.374 9.205 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.060 9.205 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.388 9.136 -2.294 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.196 3.232 -4.742 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.231 3.526 -5.724 1.00 0.00 C ATOM 1210 C GLN B 29 -12.448 2.637 -5.498 1.00 0.00 C ATOM 1211 O GLN B 29 -13.576 3.020 -5.808 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.693 3.328 -7.141 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.595 3.906 -8.220 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.550 3.107 -9.507 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.507 2.572 -9.884 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -12.686 3.021 -10.190 1.00 0.00 N ATOM 0 H GLN B 29 -9.412 2.689 -5.104 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.531 4.567 -5.605 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.709 3.791 -7.215 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.558 2.262 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.621 3.938 -7.852 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.297 4.934 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -13.527 3.480 -9.841 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -12.717 2.496 -11.064 1.00 0.00 H new ATOM 1225 N SER B 30 -12.211 1.449 -4.951 1.00 0.00 N ATOM 1226 CA SER B 30 -13.288 0.505 -4.679 1.00 0.00 C ATOM 1227 C SER B 30 -14.050 0.898 -3.417 1.00 0.00 C ATOM 1228 O SER B 30 -15.278 0.827 -3.375 1.00 0.00 O ATOM 1229 CB SER B 30 -12.728 -0.911 -4.531 1.00 0.00 C ATOM 1230 OG SER B 30 -13.745 -1.883 -4.706 1.00 0.00 O ATOM 0 H SER B 30 -11.283 1.118 -4.688 1.00 0.00 H new ATOM 0 HA SER B 30 -13.980 0.528 -5.521 1.00 0.00 H new ATOM 0 HB2 SER B 30 -11.938 -1.071 -5.264 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.277 -1.026 -3.545 1.00 0.00 H new ATOM 0 HG SER B 30 -13.361 -2.779 -4.608 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.314 1.314 -2.390 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.922 1.719 -1.128 1.00 0.00 C ATOM 1238 C ILE B 31 -14.556 3.100 -1.247 1.00 0.00 C ATOM 1239 O ILE B 31 -15.511 3.420 -0.538 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.882 1.726 0.009 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.514 2.169 1.327 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.713 2.633 -0.345 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.411 1.124 1.950 1.00 0.00 C ATOM 0 H ILE B 31 -12.296 1.379 -2.408 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.699 0.992 -0.892 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.512 0.708 0.133 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -12.723 2.423 2.032 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.092 3.077 1.156 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.988 2.626 0.469 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.237 2.274 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.075 3.649 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.824 1.508 2.882 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.224 0.886 1.264 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.833 0.223 2.154 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.026 3.911 -2.157 1.00 0.00 N ATOM 1256 CA LYS B 32 -14.547 5.254 -2.376 1.00 0.00 C ATOM 1257 C LYS B 32 -15.761 5.213 -3.296 1.00 0.00 C ATOM 1258 O LYS B 32 -16.678 6.024 -3.167 1.00 0.00 O ATOM 1259 CB LYS B 32 -13.464 6.154 -2.977 1.00 0.00 C ATOM 1260 CG LYS B 32 -13.968 7.534 -3.368 1.00 0.00 C ATOM 1261 CD LYS B 32 -13.223 8.630 -2.624 1.00 0.00 C ATOM 1262 CE LYS B 32 -13.433 8.527 -1.122 1.00 0.00 C ATOM 1263 NZ LYS B 32 -12.199 8.865 -0.362 1.00 0.00 N ATOM 0 H LYS B 32 -13.237 3.661 -2.753 1.00 0.00 H new ATOM 0 HA LYS B 32 -14.852 5.664 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -12.653 6.263 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.045 5.666 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.848 7.676 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -15.034 7.607 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.158 8.565 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.563 9.605 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -14.239 9.197 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -13.749 7.515 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -12.386 8.782 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -11.437 8.210 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.911 9.840 -0.583 1.00 0.00 H new ATOM 1277 N LYS B 33 -15.761 4.258 -4.221 1.00 0.00 N ATOM 1278 CA LYS B 33 -16.866 4.104 -5.157 1.00 0.00 C ATOM 1279 C LYS B 33 -18.053 3.438 -4.473 1.00 0.00 C ATOM 1280 O LYS B 33 -19.208 3.718 -4.795 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.427 3.280 -6.368 1.00 0.00 C ATOM 1282 CG LYS B 33 -17.567 2.933 -7.313 1.00 0.00 C ATOM 1283 CD LYS B 33 -17.147 1.884 -8.331 1.00 0.00 C ATOM 1284 CE LYS B 33 -18.250 1.614 -9.340 1.00 0.00 C ATOM 1285 NZ LYS B 33 -18.648 0.179 -9.358 1.00 0.00 N ATOM 0 H LYS B 33 -15.008 3.580 -4.341 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.169 5.094 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.666 3.834 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -15.961 2.358 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.417 2.565 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -17.898 3.833 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.250 2.220 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.889 0.959 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -19.118 2.228 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -17.913 1.910 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -19.403 0.037 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.826 -0.406 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -18.994 -0.097 -8.417 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.759 2.557 -3.522 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.802 1.855 -2.786 1.00 0.00 C ATOM 1301 C LEU B 34 -19.471 2.791 -1.785 1.00 0.00 C ATOM 1302 O LEU B 34 -20.689 2.764 -1.613 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.219 0.640 -2.061 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.889 -0.694 -2.395 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -18.010 -1.856 -1.962 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -20.257 -0.783 -1.734 1.00 0.00 C ATOM 0 H LEU B 34 -16.808 2.313 -3.244 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.552 1.511 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.158 0.567 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.292 0.807 -0.986 1.00 0.00 H new ATOM 0 HG LEU B 34 -19.024 -0.751 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -18.503 -2.797 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -17.053 -1.802 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -17.843 -1.804 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -20.720 -1.738 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -20.144 -0.704 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.888 0.030 -2.093 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.666 3.624 -1.130 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.185 4.572 -0.153 1.00 0.00 C ATOM 1320 C LYS B 35 -20.008 5.655 -0.842 1.00 0.00 C ATOM 1321 O LYS B 35 -21.014 6.119 -0.307 1.00 0.00 O ATOM 1322 CB LYS B 35 -18.039 5.206 0.637 1.00 0.00 C ATOM 1323 CG LYS B 35 -18.191 5.072 2.143 1.00 0.00 C ATOM 1324 CD LYS B 35 -18.356 6.428 2.810 1.00 0.00 C ATOM 1325 CE LYS B 35 -17.059 7.221 2.786 1.00 0.00 C ATOM 1326 NZ LYS B 35 -17.230 8.543 2.121 1.00 0.00 N ATOM 0 H LYS B 35 -17.655 3.660 -1.259 1.00 0.00 H new ATOM 0 HA LYS B 35 -19.831 4.031 0.539 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -17.100 4.744 0.333 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.973 6.263 0.380 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.055 4.447 2.368 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -17.317 4.567 2.554 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -19.138 6.992 2.302 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -18.681 6.290 3.841 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -16.706 7.371 3.806 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -16.293 6.648 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -16.324 9.053 2.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -17.543 8.400 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -17.943 9.100 2.634 1.00 0.00 H new ATOM 1340 N GLN B 36 -19.575 6.048 -2.036 1.00 0.00 N ATOM 1341 CA GLN B 36 -20.278 7.070 -2.801 1.00 0.00 C ATOM 1342 C GLN B 36 -21.576 6.512 -3.370 1.00 0.00 C ATOM 1343 O GLN B 36 -22.542 7.245 -3.578 1.00 0.00 O ATOM 1344 CB GLN B 36 -19.391 7.593 -3.933 1.00 0.00 C ATOM 1345 CG GLN B 36 -20.109 8.543 -4.879 1.00 0.00 C ATOM 1346 CD GLN B 36 -20.085 8.062 -6.317 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -19.434 8.661 -7.172 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -20.796 6.974 -6.589 1.00 0.00 N ATOM 0 H GLN B 36 -18.743 5.675 -2.493 1.00 0.00 H new ATOM 0 HA GLN B 36 -20.517 7.896 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -18.530 8.104 -3.502 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -19.007 6.747 -4.503 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -21.143 8.659 -4.556 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -19.645 9.527 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -21.321 6.509 -5.848 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -20.817 6.603 -7.539 1.00 0.00 H new ATOM 1357 N SER B 37 -21.591 5.205 -3.612 1.00 0.00 N ATOM 1358 CA SER B 37 -22.771 4.542 -4.150 1.00 0.00 C ATOM 1359 C SER B 37 -23.900 4.544 -3.126 1.00 0.00 C ATOM 1360 O SER B 37 -25.078 4.559 -3.485 1.00 0.00 O ATOM 1361 CB SER B 37 -22.436 3.106 -4.556 1.00 0.00 C ATOM 1362 OG SER B 37 -22.015 3.042 -5.908 1.00 0.00 O ATOM 0 H SER B 37 -20.799 4.585 -3.444 1.00 0.00 H new ATOM 0 HA SER B 37 -23.099 5.091 -5.033 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.651 2.716 -3.909 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.311 2.471 -4.414 1.00 0.00 H new ATOM 0 HG SER B 37 -21.051 3.212 -5.959 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.531 4.536 -1.848 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.514 4.541 -0.772 1.00 0.00 C ATOM 1370 C GLU B 38 -25.363 5.806 -0.822 1.00 0.00 C ATOM 1371 O GLU B 38 -26.537 5.794 -0.452 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.816 4.435 0.585 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.693 3.843 1.677 1.00 0.00 C ATOM 1374 CD GLU B 38 -25.969 4.633 1.892 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -25.876 5.858 2.117 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -27.059 4.028 1.837 1.00 0.00 O ATOM 0 H GLU B 38 -22.561 4.526 -1.534 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.168 3.679 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.921 3.822 0.477 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -23.487 5.427 0.893 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -24.946 2.815 1.417 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -24.131 3.807 2.610 1.00 0.00 H new ATOM 1383 N ASP B 39 -24.761 6.898 -1.283 1.00 0.00 N ATOM 1384 CA ASP B 39 -25.462 8.173 -1.385 1.00 0.00 C ATOM 1385 C ASP B 39 -26.478 8.147 -2.523 1.00 0.00 C ATOM 1386 O ASP B 39 -27.459 8.891 -2.509 1.00 0.00 O ATOM 1387 CB ASP B 39 -24.464 9.312 -1.604 1.00 0.00 C ATOM 1388 CG ASP B 39 -24.550 10.372 -0.523 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -23.954 10.170 0.556 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -25.213 11.404 -0.757 1.00 0.00 O ATOM 0 H ASP B 39 -23.789 6.925 -1.592 1.00 0.00 H new ATOM 0 HA ASP B 39 -25.995 8.341 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -23.453 8.905 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -24.649 9.771 -2.575 1.00 0.00 H new ATOM 1395 N ASP B 40 -26.237 7.284 -3.506 1.00 0.00 N ATOM 1396 CA ASP B 40 -27.132 7.160 -4.651 1.00 0.00 C ATOM 1397 C ASP B 40 -27.036 8.387 -5.552 1.00 0.00 C ATOM 1398 O ASP B 40 -27.485 9.474 -5.188 1.00 0.00 O ATOM 1399 CB ASP B 40 -28.576 6.969 -4.183 1.00 0.00 C ATOM 1400 CG ASP B 40 -29.247 5.782 -4.844 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -29.033 5.581 -6.058 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -29.986 5.054 -4.150 1.00 0.00 O ATOM 0 H ASP B 40 -25.430 6.661 -3.532 1.00 0.00 H new ATOM 0 HA ASP B 40 -26.826 6.285 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -28.589 6.834 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -29.147 7.872 -4.399 1.00 0.00 H new ATOM 1407 N ASP B 41 -26.447 8.205 -6.731 1.00 0.00 N ATOM 1408 CA ASP B 41 -26.292 9.297 -7.685 1.00 0.00 C ATOM 1409 C ASP B 41 -25.672 10.520 -7.018 1.00 0.00 C ATOM 1410 O ASP B 41 -25.120 10.371 -5.908 1.00 0.00 O ATOM 1411 CB ASP B 41 -27.646 9.665 -8.294 1.00 0.00 C ATOM 1412 CG ASP B 41 -27.540 10.026 -9.763 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -27.304 9.114 -10.583 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -27.691 11.222 -10.094 1.00 0.00 O ATOM 1415 OXT ASP B 41 -25.745 11.617 -7.610 1.00 0.00 O ATOM 0 H ASP B 41 -26.070 7.312 -7.048 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.623 8.961 -8.478 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -28.334 8.827 -8.177 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -28.072 10.506 -7.746 1.00 0.00 H new TER 1420 ASP B 41