USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=8 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: A 21 GLN : amide:sc= -1.68 K(o=-2.8,f=-1.4) USER MOD Set 1.2: B 21 GLN : amide:sc= -1.14 K(o=-2.8,f=-5.4!) USER MOD Set 2.1: B 12 HIS : no HD1:sc= -1.52 K(o=-5,f=-2.2) USER MOD Set 2.2: B 13 HIS : no HD1:sc= -3.48! K(o=-5!,f=-2.4) USER MOD Set 3.1: A 12 HIS : no HD1:sc= -1.4 K(o=-4.8,f=-2.1) USER MOD Set 3.2: A 13 HIS : no HD1:sc= -3.38! K(o=-4.8!,f=-2.3) USER MOD Single : A 1 ALA N :NH3+ -106:sc= 0.0766 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.43) USER MOD Single : A 6 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.46) USER MOD Single : A 8 ASN : amide:sc= -0.0931 K(o=-0.093,f=-1.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-3.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0443 K(o=-0.044,f=-1.1) 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 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -106:sc= 0.0622 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.49) USER MOD Single : B 6 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.4) USER MOD Single : B 8 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-3.4!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= -0.0402 K(o=-0.04,f=-0.96) 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 X(o=0,f=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -35.534 -1.763 0.033 1.00 0.00 N ATOM 2 CA ALA A 1 -34.756 -2.839 0.703 1.00 0.00 C ATOM 3 C ALA A 1 -33.591 -2.259 1.497 1.00 0.00 C ATOM 4 O ALA A 1 -33.197 -1.111 1.291 1.00 0.00 O ATOM 5 CB ALA A 1 -34.247 -3.839 -0.325 1.00 0.00 C ATOM 0 H1 ALA A 1 -36.436 -1.625 0.532 1.00 0.00 H new ATOM 0 H2 ALA A 1 -34.989 -0.878 0.051 1.00 0.00 H new ATOM 0 H3 ALA A 1 -35.722 -2.033 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 1 -35.418 -3.353 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -33.679 -4.621 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -35.093 -4.284 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -33.604 -3.328 -1.042 1.00 0.00 H new ATOM 13 N LEU A 2 -33.044 -3.060 2.406 1.00 0.00 N ATOM 14 CA LEU A 2 -31.924 -2.625 3.231 1.00 0.00 C ATOM 15 C LEU A 2 -30.662 -3.414 2.895 1.00 0.00 C ATOM 16 O LEU A 2 -30.656 -4.644 2.943 1.00 0.00 O ATOM 17 CB LEU A 2 -32.262 -2.790 4.715 1.00 0.00 C ATOM 18 CG LEU A 2 -31.859 -1.613 5.605 1.00 0.00 C ATOM 19 CD1 LEU A 2 -32.669 -0.375 5.252 1.00 0.00 C ATOM 20 CD2 LEU A 2 -32.040 -1.971 7.072 1.00 0.00 C ATOM 0 H LEU A 2 -33.358 -4.013 2.589 1.00 0.00 H new ATOM 0 HA LEU A 2 -31.739 -1.571 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -33.336 -2.948 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -31.772 -3.691 5.086 1.00 0.00 H new ATOM 0 HG LEU A 2 -30.806 -1.393 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -32.369 0.452 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -32.490 -0.108 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -33.730 -0.581 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -31.749 -1.123 7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -33.085 -2.216 7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -31.416 -2.830 7.316 1.00 0.00 H new ATOM 32 N LYS A 3 -29.596 -2.698 2.557 1.00 0.00 N ATOM 33 CA LYS A 3 -28.327 -3.331 2.212 1.00 0.00 C ATOM 34 C LYS A 3 -27.412 -3.413 3.429 1.00 0.00 C ATOM 35 O LYS A 3 -26.949 -2.393 3.941 1.00 0.00 O ATOM 36 CB LYS A 3 -27.635 -2.557 1.090 1.00 0.00 C ATOM 37 CG LYS A 3 -27.753 -3.222 -0.272 1.00 0.00 C ATOM 38 CD LYS A 3 -29.153 -3.072 -0.845 1.00 0.00 C ATOM 39 CE LYS A 3 -29.592 -4.329 -1.578 1.00 0.00 C ATOM 40 NZ LYS A 3 -30.208 -5.323 -0.656 1.00 0.00 N ATOM 0 H LYS A 3 -29.584 -1.679 2.514 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.536 -4.344 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.062 -1.556 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.580 -2.440 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.029 -2.781 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -27.506 -4.280 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -29.855 -2.855 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -29.179 -2.223 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.307 -4.064 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.732 -4.779 -2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.494 -6.166 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.517 -5.595 0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.044 -4.903 -0.201 1.00 0.00 H new ATOM 54 N LYS A 4 -27.156 -4.633 3.889 1.00 0.00 N ATOM 55 CA LYS A 4 -26.295 -4.848 5.047 1.00 0.00 C ATOM 56 C LYS A 4 -24.990 -5.521 4.636 1.00 0.00 C ATOM 57 O LYS A 4 -23.904 -5.068 5.001 1.00 0.00 O ATOM 58 CB LYS A 4 -27.016 -5.701 6.092 1.00 0.00 C ATOM 59 CG LYS A 4 -26.850 -5.190 7.513 1.00 0.00 C ATOM 60 CD LYS A 4 -27.184 -6.267 8.534 1.00 0.00 C ATOM 61 CE LYS A 4 -27.195 -5.708 9.949 1.00 0.00 C ATOM 62 NZ LYS A 4 -26.967 -6.771 10.967 1.00 0.00 N ATOM 0 H LYS A 4 -27.532 -5.488 3.478 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.060 -3.876 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.078 -5.737 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.641 -6.723 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -25.825 -4.851 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.497 -4.326 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -28.158 -6.698 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -26.454 -7.074 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -26.424 -4.943 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -28.152 -5.221 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -26.982 -6.350 11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -27.717 -7.488 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -26.043 -7.218 10.801 1.00 0.00 H new ATOM 76 N HIS A 5 -25.102 -6.606 3.876 1.00 0.00 N ATOM 77 CA HIS A 5 -23.931 -7.341 3.416 1.00 0.00 C ATOM 78 C HIS A 5 -23.014 -6.445 2.591 1.00 0.00 C ATOM 79 O HIS A 5 -21.801 -6.650 2.550 1.00 0.00 O ATOM 80 CB HIS A 5 -24.358 -8.554 2.587 1.00 0.00 C ATOM 81 CG HIS A 5 -25.450 -8.254 1.608 1.00 0.00 C ATOM 82 ND1 HIS A 5 -26.776 -8.552 1.845 1.00 0.00 N ATOM 83 CD2 HIS A 5 -25.409 -7.679 0.383 1.00 0.00 C ATOM 84 CE1 HIS A 5 -27.503 -8.172 0.808 1.00 0.00 C ATOM 85 NE2 HIS A 5 -26.696 -7.640 -0.092 1.00 0.00 N ATOM 0 H HIS A 5 -25.993 -6.995 3.566 1.00 0.00 H new ATOM 0 HA HIS A 5 -23.381 -7.683 4.293 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.492 -8.938 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.691 -9.345 3.259 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -24.527 -7.318 -0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -28.574 -8.278 0.713 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -26.983 -7.261 -0.995 1.00 0.00 H new ATOM 94 N HIS A 6 -23.601 -5.450 1.935 1.00 0.00 N ATOM 95 CA HIS A 6 -22.838 -4.521 1.110 1.00 0.00 C ATOM 96 C HIS A 6 -21.966 -3.615 1.974 1.00 0.00 C ATOM 97 O HIS A 6 -20.804 -3.370 1.653 1.00 0.00 O ATOM 98 CB HIS A 6 -23.779 -3.675 0.251 1.00 0.00 C ATOM 99 CG HIS A 6 -23.631 -3.920 -1.218 1.00 0.00 C ATOM 100 ND1 HIS A 6 -23.218 -5.128 -1.742 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.845 -3.105 -2.279 1.00 0.00 C ATOM 102 CE1 HIS A 6 -23.182 -5.044 -3.061 1.00 0.00 C ATOM 103 NE2 HIS A 6 -23.558 -3.828 -3.410 1.00 0.00 N ATOM 0 H HIS A 6 -24.604 -5.266 1.959 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.189 -5.105 0.457 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.809 -3.881 0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.595 -2.620 0.455 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.179 -2.079 -2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.894 -5.835 -3.737 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.625 -3.481 -4.367 1.00 0.00 H new ATOM 112 N GLU A 7 -22.533 -3.122 3.070 1.00 0.00 N ATOM 113 CA GLU A 7 -21.802 -2.244 3.976 1.00 0.00 C ATOM 114 C GLU A 7 -20.657 -2.993 4.648 1.00 0.00 C ATOM 115 O GLU A 7 -19.624 -2.408 4.972 1.00 0.00 O ATOM 116 CB GLU A 7 -22.744 -1.667 5.035 1.00 0.00 C ATOM 117 CG GLU A 7 -23.788 -0.720 4.468 1.00 0.00 C ATOM 118 CD GLU A 7 -23.458 0.736 4.730 1.00 0.00 C ATOM 119 OE1 GLU A 7 -22.274 1.109 4.597 1.00 0.00 O ATOM 120 OE2 GLU A 7 -24.384 1.504 5.067 1.00 0.00 O ATOM 0 H GLU A 7 -23.494 -3.315 3.352 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.384 -1.425 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.249 -2.487 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.155 -1.139 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -23.874 -0.881 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -24.759 -0.953 4.904 1.00 0.00 H new ATOM 127 N ASN A 8 -20.845 -4.293 4.849 1.00 0.00 N ATOM 128 CA ASN A 8 -19.822 -5.121 5.475 1.00 0.00 C ATOM 129 C ASN A 8 -18.626 -5.278 4.543 1.00 0.00 C ATOM 130 O ASN A 8 -17.475 -5.131 4.960 1.00 0.00 O ATOM 131 CB ASN A 8 -20.393 -6.495 5.830 1.00 0.00 C ATOM 132 CG ASN A 8 -19.672 -7.134 7.001 1.00 0.00 C ATOM 133 OD1 ASN A 8 -19.252 -6.451 7.934 1.00 0.00 O ATOM 134 ND2 ASN A 8 -19.526 -8.454 6.956 1.00 0.00 N ATOM 0 H ASN A 8 -21.694 -4.794 4.588 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.493 -4.631 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -21.452 -6.395 6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.323 -7.150 4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.050 -8.941 7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.890 -8.981 6.162 1.00 0.00 H new ATOM 141 N GLU A 9 -18.908 -5.568 3.277 1.00 0.00 N ATOM 142 CA GLU A 9 -17.858 -5.736 2.284 1.00 0.00 C ATOM 143 C GLU A 9 -17.028 -4.468 2.162 1.00 0.00 C ATOM 144 O GLU A 9 -15.798 -4.523 2.126 1.00 0.00 O ATOM 145 CB GLU A 9 -18.459 -6.104 0.925 1.00 0.00 C ATOM 146 CG GLU A 9 -17.740 -7.247 0.231 1.00 0.00 C ATOM 147 CD GLU A 9 -18.683 -8.136 -0.556 1.00 0.00 C ATOM 148 OE1 GLU A 9 -19.560 -7.594 -1.262 1.00 0.00 O ATOM 149 OE2 GLU A 9 -18.545 -9.374 -0.468 1.00 0.00 O ATOM 0 H GLU A 9 -19.854 -5.691 2.917 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.208 -6.547 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.506 -6.374 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.438 -5.227 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.984 -6.841 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.217 -7.847 0.975 1.00 0.00 H new ATOM 156 N ILE A 10 -17.699 -3.322 2.111 1.00 0.00 N ATOM 157 CA ILE A 10 -17.000 -2.054 2.008 1.00 0.00 C ATOM 158 C ILE A 10 -16.277 -1.736 3.310 1.00 0.00 C ATOM 159 O ILE A 10 -15.317 -0.978 3.324 1.00 0.00 O ATOM 160 CB ILE A 10 -17.942 -0.896 1.628 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.885 -0.547 2.777 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.739 -1.254 0.387 1.00 0.00 C ATOM 163 CD1 ILE A 10 -19.841 0.574 2.433 1.00 0.00 C ATOM 0 H ILE A 10 -18.716 -3.249 2.139 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.270 -2.157 1.206 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.329 -0.020 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.456 -1.433 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.297 -0.262 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.401 -0.427 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.057 -1.445 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -19.333 -2.147 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.486 0.777 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.275 1.471 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.452 0.282 1.579 1.00 0.00 H new ATOM 175 N SER A 11 -16.720 -2.340 4.404 1.00 0.00 N ATOM 176 CA SER A 11 -16.072 -2.121 5.686 1.00 0.00 C ATOM 177 C SER A 11 -14.660 -2.690 5.643 1.00 0.00 C ATOM 178 O SER A 11 -13.709 -2.084 6.146 1.00 0.00 O ATOM 179 CB SER A 11 -16.873 -2.774 6.814 1.00 0.00 C ATOM 180 OG SER A 11 -16.604 -2.150 8.058 1.00 0.00 O ATOM 0 H SER A 11 -17.516 -2.978 4.429 1.00 0.00 H new ATOM 0 HA SER A 11 -16.024 -1.050 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.938 -2.708 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.625 -3.834 6.874 1.00 0.00 H new ATOM 0 HG SER A 11 -17.129 -2.584 8.762 1.00 0.00 H new ATOM 186 N HIS A 12 -14.529 -3.856 5.015 1.00 0.00 N ATOM 187 CA HIS A 12 -13.237 -4.508 4.882 1.00 0.00 C ATOM 188 C HIS A 12 -12.372 -3.749 3.869 1.00 0.00 C ATOM 189 O HIS A 12 -11.151 -3.680 4.014 1.00 0.00 O ATOM 190 CB HIS A 12 -13.442 -5.991 4.495 1.00 0.00 C ATOM 191 CG HIS A 12 -12.535 -6.517 3.417 1.00 0.00 C ATOM 192 ND1 HIS A 12 -11.309 -7.094 3.673 1.00 0.00 N ATOM 193 CD2 HIS A 12 -12.692 -6.549 2.074 1.00 0.00 C ATOM 194 CE1 HIS A 12 -10.749 -7.456 2.532 1.00 0.00 C ATOM 195 NE2 HIS A 12 -11.569 -7.137 1.548 1.00 0.00 N ATOM 0 H HIS A 12 -15.304 -4.366 4.591 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.706 -4.490 5.834 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.307 -6.602 5.388 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.474 -6.123 4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.542 -6.181 1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.785 -7.931 2.423 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.396 -7.301 0.556 1.00 0.00 H new ATOM 204 N HIS A 13 -13.012 -3.175 2.850 1.00 0.00 N ATOM 205 CA HIS A 13 -12.289 -2.422 1.833 1.00 0.00 C ATOM 206 C HIS A 13 -11.682 -1.160 2.425 1.00 0.00 C ATOM 207 O HIS A 13 -10.630 -0.711 1.986 1.00 0.00 O ATOM 208 CB HIS A 13 -13.208 -2.036 0.680 1.00 0.00 C ATOM 209 CG HIS A 13 -13.904 -3.189 0.041 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.390 -4.468 0.011 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.086 -3.243 -0.601 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.233 -5.262 -0.628 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.272 -4.540 -1.008 1.00 0.00 N ATOM 0 H HIS A 13 -14.021 -3.218 2.710 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.494 -3.066 1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.956 -1.332 1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.623 -1.514 -0.077 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.763 -2.418 -0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.096 -6.318 -0.808 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.081 -4.890 -1.521 1.00 0.00 H new ATOM 222 N ALA A 14 -12.352 -0.588 3.420 1.00 0.00 N ATOM 223 CA ALA A 14 -11.865 0.623 4.063 1.00 0.00 C ATOM 224 C ALA A 14 -10.614 0.317 4.866 1.00 0.00 C ATOM 225 O ALA A 14 -9.576 0.951 4.683 1.00 0.00 O ATOM 226 CB ALA A 14 -12.941 1.229 4.951 1.00 0.00 C ATOM 0 H ALA A 14 -13.231 -0.944 3.796 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.615 1.353 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.557 2.134 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.814 1.477 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.225 0.511 5.721 1.00 0.00 H new ATOM 232 N LYS A 15 -10.712 -0.676 5.740 1.00 0.00 N ATOM 233 CA LYS A 15 -9.569 -1.077 6.546 1.00 0.00 C ATOM 234 C LYS A 15 -8.470 -1.657 5.656 1.00 0.00 C ATOM 235 O LYS A 15 -7.324 -1.794 6.082 1.00 0.00 O ATOM 236 CB LYS A 15 -9.990 -2.102 7.600 1.00 0.00 C ATOM 237 CG LYS A 15 -10.153 -1.514 8.991 1.00 0.00 C ATOM 238 CD LYS A 15 -8.977 -1.865 9.886 1.00 0.00 C ATOM 239 CE LYS A 15 -9.064 -1.153 11.227 1.00 0.00 C ATOM 240 NZ LYS A 15 -8.311 -1.875 12.290 1.00 0.00 N ATOM 0 H LYS A 15 -11.563 -1.213 5.907 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.180 -0.195 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.932 -2.558 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.247 -2.899 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.247 -0.430 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.075 -1.885 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.950 -2.943 10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.046 -1.593 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.671 -0.141 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.109 -1.061 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.395 -1.357 13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.702 -2.832 12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.308 -1.941 12.021 1.00 0.00 H new ATOM 254 N GLU A 16 -8.827 -1.992 4.413 1.00 0.00 N ATOM 255 CA GLU A 16 -7.871 -2.550 3.468 1.00 0.00 C ATOM 256 C GLU A 16 -7.064 -1.446 2.793 1.00 0.00 C ATOM 257 O GLU A 16 -5.870 -1.608 2.547 1.00 0.00 O ATOM 258 CB GLU A 16 -8.594 -3.389 2.412 1.00 0.00 C ATOM 259 CG GLU A 16 -7.662 -4.245 1.572 1.00 0.00 C ATOM 260 CD GLU A 16 -6.625 -4.972 2.406 1.00 0.00 C ATOM 261 OE1 GLU A 16 -6.986 -5.485 3.486 1.00 0.00 O ATOM 262 OE2 GLU A 16 -5.453 -5.029 1.980 1.00 0.00 O ATOM 0 H GLU A 16 -9.771 -1.885 4.043 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.184 -3.190 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.319 -4.035 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.155 -2.725 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.249 -4.974 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.157 -3.615 0.840 1.00 0.00 H new ATOM 269 N ILE A 17 -7.714 -0.323 2.492 1.00 0.00 N ATOM 270 CA ILE A 17 -7.031 0.793 1.849 1.00 0.00 C ATOM 271 C ILE A 17 -6.108 1.506 2.840 1.00 0.00 C ATOM 272 O ILE A 17 -5.011 1.938 2.484 1.00 0.00 O ATOM 273 CB ILE A 17 -8.042 1.791 1.223 1.00 0.00 C ATOM 274 CG1 ILE A 17 -8.585 2.785 2.260 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.191 1.037 0.580 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.714 4.011 2.435 1.00 0.00 C ATOM 0 H ILE A 17 -8.704 -0.164 2.682 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.422 0.388 1.041 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.509 2.362 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.585 3.099 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.683 2.279 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.894 1.747 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.805 0.383 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.701 0.439 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.158 4.669 3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.720 3.707 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.636 4.541 1.485 1.00 0.00 H new ATOM 288 N GLU A 18 -6.561 1.614 4.086 1.00 0.00 N ATOM 289 CA GLU A 18 -5.777 2.264 5.128 1.00 0.00 C ATOM 290 C GLU A 18 -4.639 1.360 5.584 1.00 0.00 C ATOM 291 O GLU A 18 -3.543 1.829 5.895 1.00 0.00 O ATOM 292 CB GLU A 18 -6.669 2.625 6.318 1.00 0.00 C ATOM 293 CG GLU A 18 -6.446 4.036 6.838 1.00 0.00 C ATOM 294 CD GLU A 18 -7.448 4.427 7.907 1.00 0.00 C ATOM 295 OE1 GLU A 18 -8.603 3.955 7.840 1.00 0.00 O ATOM 296 OE2 GLU A 18 -7.078 5.205 8.811 1.00 0.00 O ATOM 0 H GLU A 18 -7.466 1.260 4.397 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.351 3.179 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.713 2.515 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.488 1.916 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.437 4.115 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.512 4.740 6.008 1.00 0.00 H new ATOM 303 N ARG A 19 -4.905 0.058 5.620 1.00 0.00 N ATOM 304 CA ARG A 19 -3.904 -0.914 6.034 1.00 0.00 C ATOM 305 C ARG A 19 -2.819 -1.055 4.974 1.00 0.00 C ATOM 306 O ARG A 19 -1.652 -1.288 5.292 1.00 0.00 O ATOM 307 CB ARG A 19 -4.555 -2.272 6.299 1.00 0.00 C ATOM 308 CG ARG A 19 -5.216 -2.374 7.664 1.00 0.00 C ATOM 309 CD ARG A 19 -4.329 -3.105 8.659 1.00 0.00 C ATOM 310 NE ARG A 19 -4.700 -4.510 8.792 1.00 0.00 N ATOM 311 CZ ARG A 19 -5.861 -4.922 9.292 1.00 0.00 C ATOM 312 NH1 ARG A 19 -6.758 -4.037 9.704 1.00 0.00 N ATOM 313 NH2 ARG A 19 -6.126 -6.218 9.380 1.00 0.00 N ATOM 0 H ARG A 19 -5.806 -0.347 5.367 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.445 -0.557 6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.301 -2.465 5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.798 -3.052 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.437 -1.374 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.168 -2.897 7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.289 -3.033 8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.398 -2.618 9.632 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.031 -5.216 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.558 -3.039 9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.648 -4.354 10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.438 -6.902 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.017 -6.531 9.764 1.00 0.00 H new ATOM 327 N LEU A 20 -3.207 -0.903 3.712 1.00 0.00 N ATOM 328 CA LEU A 20 -2.260 -1.006 2.613 1.00 0.00 C ATOM 329 C LEU A 20 -1.319 0.190 2.616 1.00 0.00 C ATOM 330 O LEU A 20 -0.126 0.054 2.350 1.00 0.00 O ATOM 331 CB LEU A 20 -3.000 -1.094 1.277 1.00 0.00 C ATOM 332 CG LEU A 20 -3.722 -2.417 1.022 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.879 -2.217 0.056 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.750 -3.456 0.482 1.00 0.00 C ATOM 0 H LEU A 20 -4.167 -0.709 3.428 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.673 -1.915 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.729 -0.285 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.285 -0.927 0.471 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.124 -2.778 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.381 -3.170 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.587 -1.504 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.500 -1.833 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.279 -4.392 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.320 -3.100 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.953 -3.621 1.207 1.00 0.00 H new ATOM 346 N GLN A 21 -1.867 1.363 2.920 1.00 0.00 N ATOM 347 CA GLN A 21 -1.074 2.585 2.961 1.00 0.00 C ATOM 348 C GLN A 21 0.009 2.496 4.030 1.00 0.00 C ATOM 349 O GLN A 21 1.163 2.853 3.789 1.00 0.00 O ATOM 350 CB GLN A 21 -1.970 3.797 3.225 1.00 0.00 C ATOM 351 CG GLN A 21 -2.136 4.703 2.014 1.00 0.00 C ATOM 352 CD GLN A 21 -1.063 5.775 1.916 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.307 6.859 1.385 1.00 0.00 O ATOM 354 NE2 GLN A 21 0.133 5.483 2.422 1.00 0.00 N ATOM 0 H GLN A 21 -2.854 1.492 3.141 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.593 2.705 1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.952 3.450 3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.551 4.376 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.117 4.096 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.115 5.181 2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.296 4.573 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.887 6.169 2.378 1.00 0.00 H new ATOM 363 N LYS A 22 -0.365 2.017 5.213 1.00 0.00 N ATOM 364 CA LYS A 22 0.585 1.885 6.311 1.00 0.00 C ATOM 365 C LYS A 22 1.679 0.881 5.961 1.00 0.00 C ATOM 366 O LYS A 22 2.832 1.038 6.363 1.00 0.00 O ATOM 367 CB LYS A 22 -0.133 1.451 7.590 1.00 0.00 C ATOM 368 CG LYS A 22 -0.930 0.168 7.434 1.00 0.00 C ATOM 369 CD LYS A 22 -1.498 -0.300 8.764 1.00 0.00 C ATOM 370 CE LYS A 22 -0.920 -1.645 9.175 1.00 0.00 C ATOM 371 NZ LYS A 22 -0.961 -1.839 10.652 1.00 0.00 N ATOM 0 H LYS A 22 -1.314 1.716 5.434 1.00 0.00 H new ATOM 0 HA LYS A 22 1.047 2.858 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.603 1.317 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.804 2.249 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.743 0.327 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.291 -0.610 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.282 0.441 9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.583 -0.376 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.479 -2.444 8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.110 -1.719 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.558 -2.767 10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.407 -1.091 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.947 -1.794 10.981 1.00 0.00 H new ATOM 385 N GLU A 23 1.308 -0.149 5.207 1.00 0.00 N ATOM 386 CA GLU A 23 2.257 -1.178 4.800 1.00 0.00 C ATOM 387 C GLU A 23 3.299 -0.615 3.837 1.00 0.00 C ATOM 388 O GLU A 23 4.476 -0.977 3.898 1.00 0.00 O ATOM 389 CB GLU A 23 1.521 -2.348 4.144 1.00 0.00 C ATOM 390 CG GLU A 23 2.205 -3.690 4.347 1.00 0.00 C ATOM 391 CD GLU A 23 1.331 -4.858 3.937 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.973 -4.941 2.743 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.003 -5.689 4.809 1.00 0.00 O ATOM 0 H GLU A 23 0.358 -0.293 4.866 1.00 0.00 H new ATOM 0 HA GLU A 23 2.771 -1.533 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.509 -2.401 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.429 -2.155 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.130 -3.713 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.481 -3.798 5.396 1.00 0.00 H new ATOM 400 N ILE A 24 2.863 0.275 2.951 1.00 0.00 N ATOM 401 CA ILE A 24 3.769 0.884 1.982 1.00 0.00 C ATOM 402 C ILE A 24 4.817 1.736 2.701 1.00 0.00 C ATOM 403 O ILE A 24 5.994 1.733 2.342 1.00 0.00 O ATOM 404 CB ILE A 24 3.008 1.724 0.902 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.892 3.206 1.285 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.623 1.147 0.648 1.00 0.00 C ATOM 407 CD1 ILE A 24 4.119 4.011 0.915 1.00 0.00 C ATOM 0 H ILE A 24 1.895 0.589 2.883 1.00 0.00 H new ATOM 0 HA ILE A 24 4.273 0.076 1.452 1.00 0.00 H new ATOM 0 HB ILE A 24 3.599 1.665 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.020 3.636 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.722 3.286 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.112 1.746 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.716 0.120 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.048 1.161 1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.975 5.050 1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.990 3.604 1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.277 3.959 -0.162 1.00 0.00 H new ATOM 419 N GLU A 25 4.370 2.459 3.726 1.00 0.00 N ATOM 420 CA GLU A 25 5.257 3.311 4.508 1.00 0.00 C ATOM 421 C GLU A 25 6.346 2.480 5.173 1.00 0.00 C ATOM 422 O GLU A 25 7.511 2.874 5.205 1.00 0.00 O ATOM 423 CB GLU A 25 4.462 4.077 5.567 1.00 0.00 C ATOM 424 CG GLU A 25 5.240 5.215 6.208 1.00 0.00 C ATOM 425 CD GLU A 25 4.863 5.434 7.660 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.760 5.004 8.058 1.00 0.00 O ATOM 427 OE2 GLU A 25 5.671 6.035 8.399 1.00 0.00 O ATOM 0 H GLU A 25 3.397 2.470 4.033 1.00 0.00 H new ATOM 0 HA GLU A 25 5.727 4.027 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.558 4.479 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.145 3.382 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.307 5.003 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.062 6.133 5.648 1.00 0.00 H new ATOM 434 N ARG A 26 5.959 1.320 5.696 1.00 0.00 N ATOM 435 CA ARG A 26 6.908 0.427 6.348 1.00 0.00 C ATOM 436 C ARG A 26 8.026 0.060 5.381 1.00 0.00 C ATOM 437 O ARG A 26 9.208 0.079 5.737 1.00 0.00 O ATOM 438 CB ARG A 26 6.201 -0.837 6.840 1.00 0.00 C ATOM 439 CG ARG A 26 7.119 -1.798 7.577 1.00 0.00 C ATOM 440 CD ARG A 26 6.333 -2.747 8.467 1.00 0.00 C ATOM 441 NE ARG A 26 6.763 -4.133 8.305 1.00 0.00 N ATOM 442 CZ ARG A 26 7.918 -4.604 8.765 1.00 0.00 C ATOM 443 NH1 ARG A 26 8.753 -3.802 9.413 1.00 0.00 N ATOM 444 NH2 ARG A 26 8.239 -5.876 8.578 1.00 0.00 N ATOM 0 H ARG A 26 4.998 0.978 5.681 1.00 0.00 H new ATOM 0 HA ARG A 26 7.337 0.941 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.382 -0.552 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.759 -1.352 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.701 -2.372 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.828 -1.233 8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.453 -2.450 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.271 -2.667 8.233 1.00 0.00 H new ATOM 0 HE ARG A 26 6.143 -4.775 7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.509 -2.822 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.639 -4.165 9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.599 -6.496 8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.126 -6.236 8.932 1.00 0.00 H new ATOM 458 N HIS A 27 7.647 -0.253 4.146 1.00 0.00 N ATOM 459 CA HIS A 27 8.618 -0.599 3.127 1.00 0.00 C ATOM 460 C HIS A 27 9.430 0.630 2.746 1.00 0.00 C ATOM 461 O HIS A 27 10.559 0.517 2.274 1.00 0.00 O ATOM 462 CB HIS A 27 7.918 -1.172 1.894 1.00 0.00 C ATOM 463 CG HIS A 27 8.310 -2.584 1.586 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.514 -2.921 1.002 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.651 -3.750 1.785 1.00 0.00 C ATOM 466 CE1 HIS A 27 9.578 -4.232 0.855 1.00 0.00 C ATOM 467 NE2 HIS A 27 8.462 -4.758 1.324 1.00 0.00 N ATOM 0 H HIS A 27 6.677 -0.273 3.832 1.00 0.00 H new ATOM 0 HA HIS A 27 9.290 -1.359 3.527 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.839 -1.128 2.045 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.145 -0.544 1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.671 -3.866 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.403 -4.780 0.424 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.238 -5.753 1.341 1.00 0.00 H new ATOM 476 N LYS A 28 8.843 1.808 2.958 1.00 0.00 N ATOM 477 CA LYS A 28 9.509 3.063 2.642 1.00 0.00 C ATOM 478 C LYS A 28 10.615 3.357 3.647 1.00 0.00 C ATOM 479 O LYS A 28 11.589 4.040 3.333 1.00 0.00 O ATOM 480 CB LYS A 28 8.498 4.211 2.625 1.00 0.00 C ATOM 481 CG LYS A 28 9.002 5.454 1.907 1.00 0.00 C ATOM 482 CD LYS A 28 8.376 6.717 2.477 1.00 0.00 C ATOM 483 CE LYS A 28 7.035 7.016 1.828 1.00 0.00 C ATOM 484 NZ LYS A 28 6.368 8.194 2.447 1.00 0.00 N ATOM 0 H LYS A 28 7.907 1.915 3.348 1.00 0.00 H new ATOM 0 HA LYS A 28 9.957 2.970 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.581 3.870 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.241 4.473 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.087 5.512 1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.772 5.380 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.244 6.605 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.051 7.559 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.180 7.199 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.387 6.144 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.457 8.364 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.206 8.010 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.975 9.032 2.341 1.00 0.00 H new ATOM 498 N GLN A 29 10.459 2.831 4.858 1.00 0.00 N ATOM 499 CA GLN A 29 11.448 3.032 5.907 1.00 0.00 C ATOM 500 C GLN A 29 12.657 2.134 5.678 1.00 0.00 C ATOM 501 O GLN A 29 13.801 2.564 5.835 1.00 0.00 O ATOM 502 CB GLN A 29 10.835 2.746 7.279 1.00 0.00 C ATOM 503 CG GLN A 29 11.810 2.931 8.431 1.00 0.00 C ATOM 504 CD GLN A 29 11.439 2.105 9.647 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.334 1.569 9.734 1.00 0.00 O ATOM 506 NE2 GLN A 29 12.363 1.998 10.594 1.00 0.00 N ATOM 0 H GLN A 29 9.658 2.264 5.135 1.00 0.00 H new ATOM 0 HA GLN A 29 11.774 4.072 5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.979 3.403 7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.458 1.723 7.293 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.812 2.656 8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.843 3.985 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.266 2.459 10.480 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.170 1.455 11.435 1.00 0.00 H new ATOM 515 N SER A 30 12.398 0.886 5.303 1.00 0.00 N ATOM 516 CA SER A 30 13.469 -0.071 5.050 1.00 0.00 C ATOM 517 C SER A 30 14.283 0.330 3.820 1.00 0.00 C ATOM 518 O SER A 30 15.510 0.217 3.809 1.00 0.00 O ATOM 519 CB SER A 30 12.893 -1.475 4.858 1.00 0.00 C ATOM 520 OG SER A 30 12.929 -2.212 6.068 1.00 0.00 O ATOM 0 H SER A 30 11.458 0.514 5.168 1.00 0.00 H new ATOM 0 HA SER A 30 14.131 -0.072 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.865 -1.404 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.460 -2.002 4.091 1.00 0.00 H new ATOM 0 HG SER A 30 12.554 -3.105 5.918 1.00 0.00 H new ATOM 526 N ILE A 31 13.591 0.797 2.784 1.00 0.00 N ATOM 527 CA ILE A 31 14.247 1.213 1.549 1.00 0.00 C ATOM 528 C ILE A 31 15.016 2.514 1.752 1.00 0.00 C ATOM 529 O ILE A 31 16.086 2.710 1.176 1.00 0.00 O ATOM 530 CB ILE A 31 13.216 1.387 0.410 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.863 1.945 -0.857 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.091 2.300 0.853 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.679 0.929 -1.608 1.00 0.00 C ATOM 0 H ILE A 31 12.576 0.897 2.776 1.00 0.00 H new ATOM 0 HA ILE A 31 14.952 0.430 1.269 1.00 0.00 H new ATOM 0 HB ILE A 31 12.815 0.400 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.084 2.332 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.501 2.787 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.373 2.413 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.592 1.868 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.497 3.276 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.109 1.392 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.480 0.560 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.040 0.098 -1.906 1.00 0.00 H new ATOM 545 N LYS A 32 14.469 3.399 2.578 1.00 0.00 N ATOM 546 CA LYS A 32 15.110 4.677 2.858 1.00 0.00 C ATOM 547 C LYS A 32 16.306 4.496 3.788 1.00 0.00 C ATOM 548 O LYS A 32 17.187 5.352 3.853 1.00 0.00 O ATOM 549 CB LYS A 32 14.105 5.648 3.482 1.00 0.00 C ATOM 550 CG LYS A 32 14.598 7.085 3.525 1.00 0.00 C ATOM 551 CD LYS A 32 13.454 8.058 3.767 1.00 0.00 C ATOM 552 CE LYS A 32 13.255 8.324 5.251 1.00 0.00 C ATOM 553 NZ LYS A 32 13.550 9.739 5.606 1.00 0.00 N ATOM 0 H LYS A 32 13.584 3.255 3.065 1.00 0.00 H new ATOM 0 HA LYS A 32 15.468 5.090 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.174 5.608 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.876 5.320 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.342 7.192 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.093 7.330 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.658 8.997 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.535 7.654 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.228 8.087 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.901 7.663 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.402 9.879 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.538 9.958 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.916 10.370 5.075 1.00 0.00 H new ATOM 567 N LYS A 33 16.330 3.379 4.514 1.00 0.00 N ATOM 568 CA LYS A 33 17.415 3.098 5.444 1.00 0.00 C ATOM 569 C LYS A 33 18.632 2.521 4.726 1.00 0.00 C ATOM 570 O LYS A 33 19.770 2.843 5.068 1.00 0.00 O ATOM 571 CB LYS A 33 16.944 2.128 6.530 1.00 0.00 C ATOM 572 CG LYS A 33 18.008 1.815 7.569 1.00 0.00 C ATOM 573 CD LYS A 33 17.413 1.115 8.781 1.00 0.00 C ATOM 574 CE LYS A 33 18.309 -0.012 9.268 1.00 0.00 C ATOM 575 NZ LYS A 33 19.334 0.470 10.234 1.00 0.00 N ATOM 0 H LYS A 33 15.610 2.657 4.474 1.00 0.00 H new ATOM 0 HA LYS A 33 17.709 4.041 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.073 2.551 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.622 1.199 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.778 1.184 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.495 2.738 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.266 1.837 9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.431 0.717 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.699 -0.782 9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.804 -0.476 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.924 -0.329 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.933 1.186 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.862 0.890 11.060 1.00 0.00 H new ATOM 589 N LEU A 34 18.395 1.668 3.733 1.00 0.00 N ATOM 590 CA LEU A 34 19.488 1.062 2.986 1.00 0.00 C ATOM 591 C LEU A 34 20.018 2.023 1.928 1.00 0.00 C ATOM 592 O LEU A 34 21.171 1.925 1.508 1.00 0.00 O ATOM 593 CB LEU A 34 19.032 -0.244 2.336 1.00 0.00 C ATOM 594 CG LEU A 34 18.594 -1.335 3.313 1.00 0.00 C ATOM 595 CD1 LEU A 34 17.545 -2.234 2.676 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.793 -2.154 3.767 1.00 0.00 C ATOM 0 H LEU A 34 17.463 1.384 3.430 1.00 0.00 H new ATOM 0 HA LEU A 34 20.295 0.841 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.203 -0.027 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.847 -0.631 1.724 1.00 0.00 H new ATOM 0 HG LEU A 34 18.151 -0.857 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.246 -3.004 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.675 -1.638 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.961 -2.704 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.464 -2.926 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.263 -2.621 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.512 -1.502 4.263 1.00 0.00 H new ATOM 608 N LYS A 35 19.172 2.957 1.504 1.00 0.00 N ATOM 609 CA LYS A 35 19.562 3.939 0.501 1.00 0.00 C ATOM 610 C LYS A 35 20.269 5.121 1.155 1.00 0.00 C ATOM 611 O LYS A 35 21.136 5.752 0.550 1.00 0.00 O ATOM 612 CB LYS A 35 18.338 4.424 -0.278 1.00 0.00 C ATOM 613 CG LYS A 35 17.429 5.344 0.521 1.00 0.00 C ATOM 614 CD LYS A 35 17.786 6.805 0.304 1.00 0.00 C ATOM 615 CE LYS A 35 16.585 7.607 -0.170 1.00 0.00 C ATOM 616 NZ LYS A 35 16.988 8.912 -0.765 1.00 0.00 N ATOM 0 H LYS A 35 18.214 3.053 1.840 1.00 0.00 H new ATOM 0 HA LYS A 35 20.252 3.461 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 35 18.673 4.947 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.764 3.559 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.392 5.175 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.507 5.103 1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.165 7.230 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.588 6.880 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.030 7.028 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.912 7.783 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.140 9.428 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.496 9.476 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.610 8.744 -1.582 1.00 0.00 H new ATOM 630 N GLN A 36 19.898 5.413 2.399 1.00 0.00 N ATOM 631 CA GLN A 36 20.502 6.515 3.137 1.00 0.00 C ATOM 632 C GLN A 36 21.851 6.102 3.712 1.00 0.00 C ATOM 633 O GLN A 36 22.759 6.923 3.847 1.00 0.00 O ATOM 634 CB GLN A 36 19.574 6.977 4.261 1.00 0.00 C ATOM 635 CG GLN A 36 18.522 7.978 3.811 1.00 0.00 C ATOM 636 CD GLN A 36 18.516 9.237 4.655 1.00 0.00 C ATOM 637 OE1 GLN A 36 18.187 9.202 5.840 1.00 0.00 O ATOM 638 NE2 GLN A 36 18.882 10.359 4.045 1.00 0.00 N ATOM 0 H GLN A 36 19.182 4.901 2.915 1.00 0.00 H new ATOM 0 HA GLN A 36 20.657 7.343 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.076 6.107 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.173 7.424 5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.701 8.244 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.538 7.510 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.147 10.341 3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.898 11.238 4.561 1.00 0.00 H new ATOM 647 N SER A 37 21.978 4.822 4.048 1.00 0.00 N ATOM 648 CA SER A 37 23.217 4.297 4.607 1.00 0.00 C ATOM 649 C SER A 37 24.271 4.126 3.518 1.00 0.00 C ATOM 650 O SER A 37 25.471 4.172 3.789 1.00 0.00 O ATOM 651 CB SER A 37 22.962 2.959 5.301 1.00 0.00 C ATOM 652 OG SER A 37 24.143 2.177 5.354 1.00 0.00 O ATOM 0 H SER A 37 21.237 4.129 3.942 1.00 0.00 H new ATOM 0 HA SER A 37 23.589 5.012 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 37 22.593 3.135 6.312 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.184 2.412 4.768 1.00 0.00 H new ATOM 0 HG SER A 37 23.953 1.327 5.804 1.00 0.00 H new ATOM 658 N GLU A 38 23.814 3.930 2.285 1.00 0.00 N ATOM 659 CA GLU A 38 24.717 3.755 1.155 1.00 0.00 C ATOM 660 C GLU A 38 25.354 5.081 0.757 1.00 0.00 C ATOM 661 O GLU A 38 26.454 5.114 0.204 1.00 0.00 O ATOM 662 CB GLU A 38 23.967 3.158 -0.037 1.00 0.00 C ATOM 663 CG GLU A 38 24.256 1.684 -0.263 1.00 0.00 C ATOM 664 CD GLU A 38 25.605 1.446 -0.911 1.00 0.00 C ATOM 665 OE1 GLU A 38 25.711 1.624 -2.143 1.00 0.00 O ATOM 666 OE2 GLU A 38 26.556 1.082 -0.188 1.00 0.00 O ATOM 0 H GLU A 38 22.824 3.889 2.044 1.00 0.00 H new ATOM 0 HA GLU A 38 25.508 3.069 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.896 3.290 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.232 3.713 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.219 1.160 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.475 1.257 -0.892 1.00 0.00 H new ATOM 673 N ASP A 39 24.656 6.176 1.044 1.00 0.00 N ATOM 674 CA ASP A 39 25.154 7.507 0.718 1.00 0.00 C ATOM 675 C ASP A 39 26.210 7.954 1.724 1.00 0.00 C ATOM 676 O ASP A 39 27.067 8.780 1.412 1.00 0.00 O ATOM 677 CB ASP A 39 24.001 8.512 0.691 1.00 0.00 C ATOM 678 CG ASP A 39 24.343 9.762 -0.096 1.00 0.00 C ATOM 679 OD1 ASP A 39 25.443 9.811 -0.685 1.00 0.00 O ATOM 680 OD2 ASP A 39 23.509 10.693 -0.124 1.00 0.00 O ATOM 0 H ASP A 39 23.744 6.167 1.501 1.00 0.00 H new ATOM 0 HA ASP A 39 25.614 7.465 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 39 23.121 8.040 0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 39 23.740 8.789 1.712 1.00 0.00 H new ATOM 685 N ASP A 40 26.141 7.402 2.931 1.00 0.00 N ATOM 686 CA ASP A 40 27.093 7.743 3.983 1.00 0.00 C ATOM 687 C ASP A 40 26.908 9.188 4.435 1.00 0.00 C ATOM 688 O ASP A 40 26.307 9.998 3.730 1.00 0.00 O ATOM 689 CB ASP A 40 28.526 7.529 3.493 1.00 0.00 C ATOM 690 CG ASP A 40 29.150 6.270 4.063 1.00 0.00 C ATOM 691 OD1 ASP A 40 28.707 5.825 5.142 1.00 0.00 O ATOM 692 OD2 ASP A 40 30.082 5.731 3.430 1.00 0.00 O ATOM 0 H ASP A 40 25.437 6.717 3.205 1.00 0.00 H new ATOM 0 HA ASP A 40 26.907 7.088 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 40 28.530 7.473 2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 40 29.134 8.390 3.770 1.00 0.00 H new ATOM 697 N ASP A 41 27.431 9.503 5.615 1.00 0.00 N ATOM 698 CA ASP A 41 27.324 10.851 6.163 1.00 0.00 C ATOM 699 C ASP A 41 25.880 11.341 6.127 1.00 0.00 C ATOM 700 O ASP A 41 24.977 10.503 5.916 1.00 0.00 O ATOM 701 CB ASP A 41 28.220 11.813 5.381 1.00 0.00 C ATOM 702 CG ASP A 41 29.623 11.270 5.188 1.00 0.00 C ATOM 703 OD1 ASP A 41 30.042 10.409 5.990 1.00 0.00 O ATOM 704 OD2 ASP A 41 30.302 11.706 4.234 1.00 0.00 O ATOM 705 OXT ASP A 41 25.664 12.557 6.311 1.00 0.00 O ATOM 0 H ASP A 41 27.933 8.844 6.210 1.00 0.00 H new ATOM 0 HA ASP A 41 27.652 10.821 7.202 1.00 0.00 H new ATOM 0 HB2 ASP A 41 27.773 12.011 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 41 28.272 12.766 5.907 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 35.532 -1.768 -0.033 1.00 0.00 N ATOM 712 CA ALA B 1 34.755 -2.842 -0.704 1.00 0.00 C ATOM 713 C ALA B 1 33.590 -2.260 -1.497 1.00 0.00 C ATOM 714 O ALA B 1 33.196 -1.113 -1.290 1.00 0.00 O ATOM 715 CB ALA B 1 34.246 -3.843 0.323 1.00 0.00 C ATOM 0 H1 ALA B 1 36.434 -1.629 -0.532 1.00 0.00 H new ATOM 0 H2 ALA B 1 34.987 -0.883 -0.050 1.00 0.00 H new ATOM 0 H3 ALA B 1 35.720 -2.040 0.953 1.00 0.00 H new ATOM 0 HA ALA B 1 35.417 -3.356 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA B 1 33.678 -4.625 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA B 1 35.092 -4.289 0.847 1.00 0.00 H new ATOM 0 HB3 ALA B 1 33.603 -3.333 1.040 1.00 0.00 H new ATOM 723 N LEU B 2 33.043 -3.060 -2.407 1.00 0.00 N ATOM 724 CA LEU B 2 31.923 -2.625 -3.232 1.00 0.00 C ATOM 725 C LEU B 2 30.661 -3.415 -2.898 1.00 0.00 C ATOM 726 O LEU B 2 30.655 -4.644 -2.946 1.00 0.00 O ATOM 727 CB LEU B 2 32.261 -2.787 -4.717 1.00 0.00 C ATOM 728 CG LEU B 2 31.858 -1.609 -5.605 1.00 0.00 C ATOM 729 CD1 LEU B 2 32.668 -0.372 -5.250 1.00 0.00 C ATOM 730 CD2 LEU B 2 32.039 -1.965 -7.073 1.00 0.00 C ATOM 0 H LEU B 2 33.358 -4.013 -2.591 1.00 0.00 H new ATOM 0 HA LEU B 2 31.738 -1.572 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.335 -2.945 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU B 2 31.772 -3.687 -5.089 1.00 0.00 H new ATOM 0 HG LEU B 2 30.805 -1.389 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU B 2 32.368 0.456 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU B 2 32.489 -0.107 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU B 2 33.729 -0.578 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU B 2 31.748 -1.116 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU B 2 33.084 -2.210 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.415 -2.824 -7.319 1.00 0.00 H new ATOM 742 N LYS B 3 29.594 -2.698 -2.558 1.00 0.00 N ATOM 743 CA LYS B 3 28.327 -3.332 -2.215 1.00 0.00 C ATOM 744 C LYS B 3 27.411 -3.413 -3.433 1.00 0.00 C ATOM 745 O LYS B 3 26.949 -2.392 -3.942 1.00 0.00 O ATOM 746 CB LYS B 3 27.633 -2.560 -1.092 1.00 0.00 C ATOM 747 CG LYS B 3 27.752 -3.227 0.269 1.00 0.00 C ATOM 748 CD LYS B 3 29.151 -3.077 0.843 1.00 0.00 C ATOM 749 CE LYS B 3 29.591 -4.335 1.575 1.00 0.00 C ATOM 750 NZ LYS B 3 30.206 -5.328 0.652 1.00 0.00 N ATOM 0 H LYS B 3 29.582 -1.679 -2.513 1.00 0.00 H new ATOM 0 HA LYS B 3 28.538 -4.345 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS B 3 28.058 -1.558 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS B 3 26.578 -2.445 -1.340 1.00 0.00 H new ATOM 0 HG2 LYS B 3 27.027 -2.788 0.955 1.00 0.00 H new ATOM 0 HG3 LYS B 3 27.506 -4.285 0.179 1.00 0.00 H new ATOM 0 HD2 LYS B 3 29.854 -2.858 0.039 1.00 0.00 H new ATOM 0 HD3 LYS B 3 29.176 -2.229 1.528 1.00 0.00 H new ATOM 0 HE2 LYS B 3 30.307 -4.071 2.353 1.00 0.00 H new ATOM 0 HE3 LYS B 3 28.732 -4.785 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 30.492 -6.171 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 29.515 -5.600 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 31.041 -4.908 0.196 1.00 0.00 H new ATOM 764 N LYS B 4 27.154 -4.632 -3.893 1.00 0.00 N ATOM 765 CA LYS B 4 26.293 -4.846 -5.051 1.00 0.00 C ATOM 766 C LYS B 4 24.988 -5.519 -4.642 1.00 0.00 C ATOM 767 O LYS B 4 23.903 -5.064 -5.005 1.00 0.00 O ATOM 768 CB LYS B 4 27.014 -5.698 -6.097 1.00 0.00 C ATOM 769 CG LYS B 4 26.849 -5.185 -7.519 1.00 0.00 C ATOM 770 CD LYS B 4 27.183 -6.259 -8.541 1.00 0.00 C ATOM 771 CE LYS B 4 27.194 -5.699 -9.954 1.00 0.00 C ATOM 772 NZ LYS B 4 26.966 -6.760 -10.974 1.00 0.00 N ATOM 0 H LYS B 4 27.529 -5.487 -3.482 1.00 0.00 H new ATOM 0 HA LYS B 4 26.058 -3.873 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS B 4 28.076 -5.735 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.639 -6.720 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS B 4 25.824 -4.846 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.496 -4.321 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS B 4 28.157 -6.690 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS B 4 26.453 -7.066 -8.474 1.00 0.00 H new ATOM 0 HE2 LYS B 4 26.423 -4.934 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS B 4 28.151 -5.212 -10.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 26.981 -6.337 -11.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 27.716 -7.477 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 26.042 -7.208 -10.809 1.00 0.00 H new ATOM 786 N HIS B 5 25.100 -6.604 -3.883 1.00 0.00 N ATOM 787 CA HIS B 5 23.929 -7.341 -3.423 1.00 0.00 C ATOM 788 C HIS B 5 23.012 -6.444 -2.598 1.00 0.00 C ATOM 789 O HIS B 5 21.798 -6.649 -2.556 1.00 0.00 O ATOM 790 CB HIS B 5 24.355 -8.553 -2.595 1.00 0.00 C ATOM 791 CG HIS B 5 25.448 -8.255 -1.617 1.00 0.00 C ATOM 792 ND1 HIS B 5 26.774 -8.552 -1.855 1.00 0.00 N ATOM 793 CD2 HIS B 5 25.408 -7.682 -0.390 1.00 0.00 C ATOM 794 CE1 HIS B 5 27.501 -8.176 -0.817 1.00 0.00 C ATOM 795 NE2 HIS B 5 26.696 -7.644 0.083 1.00 0.00 N ATOM 0 H HIS B 5 25.991 -6.993 -3.573 1.00 0.00 H new ATOM 0 HA HIS B 5 23.380 -7.684 -4.300 1.00 0.00 H new ATOM 0 HB2 HIS B 5 23.489 -8.936 -2.054 1.00 0.00 H new ATOM 0 HB3 HIS B 5 24.686 -9.344 -3.268 1.00 0.00 H new ATOM 0 HD2 HIS B 5 24.527 -7.322 0.121 1.00 0.00 H new ATOM 0 HE1 HIS B 5 28.571 -8.286 -0.722 1.00 0.00 H new ATOM 0 HE2 HIS B 5 26.984 -7.265 0.985 1.00 0.00 H new ATOM 804 N HIS B 6 23.600 -5.450 -1.941 1.00 0.00 N ATOM 805 CA HIS B 6 22.836 -4.521 -1.114 1.00 0.00 C ATOM 806 C HIS B 6 21.965 -3.615 -1.977 1.00 0.00 C ATOM 807 O HIS B 6 20.804 -3.368 -1.656 1.00 0.00 O ATOM 808 CB HIS B 6 23.777 -3.677 -0.255 1.00 0.00 C ATOM 809 CG HIS B 6 23.629 -3.925 1.214 1.00 0.00 C ATOM 810 ND1 HIS B 6 23.216 -5.132 1.737 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.843 -3.112 2.277 1.00 0.00 C ATOM 812 CE1 HIS B 6 23.181 -5.052 3.055 1.00 0.00 C ATOM 813 NE2 HIS B 6 23.558 -3.836 3.407 1.00 0.00 N ATOM 0 H HIS B 6 24.603 -5.266 -1.965 1.00 0.00 H new ATOM 0 HA HIS B 6 22.187 -5.104 -0.461 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.806 -3.883 -0.548 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.593 -2.622 -0.458 1.00 0.00 H new ATOM 0 HD2 HIS B 6 24.176 -2.085 2.241 1.00 0.00 H new ATOM 0 HE1 HIS B 6 22.893 -5.845 3.729 1.00 0.00 H new ATOM 0 HE2 HIS B 6 23.626 -3.491 4.364 1.00 0.00 H new ATOM 822 N GLU B 7 22.532 -3.122 -3.074 1.00 0.00 N ATOM 823 CA GLU B 7 21.801 -2.243 -3.980 1.00 0.00 C ATOM 824 C GLU B 7 20.657 -2.991 -4.653 1.00 0.00 C ATOM 825 O GLU B 7 19.624 -2.405 -4.976 1.00 0.00 O ATOM 826 CB GLU B 7 22.743 -1.665 -5.037 1.00 0.00 C ATOM 827 CG GLU B 7 23.788 -0.717 -4.469 1.00 0.00 C ATOM 828 CD GLU B 7 23.457 0.739 -4.728 1.00 0.00 C ATOM 829 OE1 GLU B 7 22.272 1.112 -4.595 1.00 0.00 O ATOM 830 OE2 GLU B 7 24.383 1.507 -5.064 1.00 0.00 O ATOM 0 H GLU B 7 23.493 -3.316 -3.356 1.00 0.00 H new ATOM 0 HA GLU B 7 21.382 -1.425 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.248 -2.484 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.154 -1.136 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU B 7 23.875 -0.880 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU B 7 24.759 -0.948 -4.907 1.00 0.00 H new ATOM 837 N ASN B 8 20.844 -4.290 -4.854 1.00 0.00 N ATOM 838 CA ASN B 8 19.822 -5.118 -5.479 1.00 0.00 C ATOM 839 C ASN B 8 18.625 -5.275 -4.549 1.00 0.00 C ATOM 840 O ASN B 8 17.474 -5.129 -4.965 1.00 0.00 O ATOM 841 CB ASN B 8 20.392 -6.492 -5.837 1.00 0.00 C ATOM 842 CG ASN B 8 19.673 -7.130 -7.008 1.00 0.00 C ATOM 843 OD1 ASN B 8 19.252 -6.445 -7.941 1.00 0.00 O ATOM 844 ND2 ASN B 8 19.526 -8.449 -6.966 1.00 0.00 N ATOM 0 H ASN B 8 21.693 -4.791 -4.593 1.00 0.00 H new ATOM 0 HA ASN B 8 19.494 -4.626 -6.395 1.00 0.00 H new ATOM 0 HB2 ASN B 8 21.451 -6.392 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN B 8 20.321 -7.149 -4.970 1.00 0.00 H new ATOM 0 HD21 ASN B 8 19.049 -8.933 -7.726 1.00 0.00 H new ATOM 0 HD22 ASN B 8 19.890 -8.978 -6.174 1.00 0.00 H new ATOM 851 N GLU B 9 18.907 -5.567 -3.283 1.00 0.00 N ATOM 852 CA GLU B 9 17.857 -5.737 -2.289 1.00 0.00 C ATOM 853 C GLU B 9 17.028 -4.468 -2.167 1.00 0.00 C ATOM 854 O GLU B 9 15.798 -4.523 -2.130 1.00 0.00 O ATOM 855 CB GLU B 9 18.459 -6.106 -0.932 1.00 0.00 C ATOM 856 CG GLU B 9 17.738 -7.249 -0.238 1.00 0.00 C ATOM 857 CD GLU B 9 18.681 -8.141 0.547 1.00 0.00 C ATOM 858 OE1 GLU B 9 19.558 -7.602 1.254 1.00 0.00 O ATOM 859 OE2 GLU B 9 18.542 -9.379 0.455 1.00 0.00 O ATOM 0 H GLU B 9 19.853 -5.690 -2.923 1.00 0.00 H new ATOM 0 HA GLU B 9 17.206 -6.548 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.506 -6.378 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU B 9 18.440 -5.229 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU B 9 16.983 -6.842 0.435 1.00 0.00 H new ATOM 0 HG3 GLU B 9 17.212 -7.847 -0.982 1.00 0.00 H new ATOM 866 N ILE B 10 17.699 -3.323 -2.114 1.00 0.00 N ATOM 867 CA ILE B 10 16.999 -2.055 -2.010 1.00 0.00 C ATOM 868 C ILE B 10 16.275 -1.735 -3.312 1.00 0.00 C ATOM 869 O ILE B 10 15.315 -0.977 -3.325 1.00 0.00 O ATOM 870 CB ILE B 10 17.941 -0.896 -1.630 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.884 -0.546 -2.779 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.739 -1.255 -0.389 1.00 0.00 C ATOM 873 CD1 ILE B 10 19.840 0.575 -2.433 1.00 0.00 C ATOM 0 H ILE B 10 18.716 -3.250 -2.141 1.00 0.00 H new ATOM 0 HA ILE B 10 16.269 -2.160 -1.207 1.00 0.00 H new ATOM 0 HB ILE B 10 17.327 -0.020 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE B 10 19.455 -1.432 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.296 -0.260 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.401 -0.429 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.057 -1.447 0.439 1.00 0.00 H new ATOM 0 HG23 ILE B 10 19.333 -2.148 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.485 0.780 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE B 10 19.274 1.472 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.451 0.282 -1.579 1.00 0.00 H new ATOM 885 N SER B 11 16.719 -2.338 -4.406 1.00 0.00 N ATOM 886 CA SER B 11 16.072 -2.118 -5.689 1.00 0.00 C ATOM 887 C SER B 11 14.660 -2.687 -5.646 1.00 0.00 C ATOM 888 O SER B 11 13.709 -2.080 -6.148 1.00 0.00 O ATOM 889 CB SER B 11 16.872 -2.769 -6.817 1.00 0.00 C ATOM 890 OG SER B 11 16.605 -2.144 -8.060 1.00 0.00 O ATOM 0 H SER B 11 17.515 -2.976 -4.431 1.00 0.00 H new ATOM 0 HA SER B 11 16.025 -1.047 -5.884 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.937 -2.704 -6.596 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.623 -3.828 -6.879 1.00 0.00 H new ATOM 0 HG SER B 11 17.131 -2.578 -8.764 1.00 0.00 H new ATOM 896 N HIS B 12 14.529 -3.854 -5.019 1.00 0.00 N ATOM 897 CA HIS B 12 13.237 -4.506 -4.887 1.00 0.00 C ATOM 898 C HIS B 12 12.371 -3.747 -3.874 1.00 0.00 C ATOM 899 O HIS B 12 11.151 -3.678 -4.019 1.00 0.00 O ATOM 900 CB HIS B 12 13.442 -5.990 -4.501 1.00 0.00 C ATOM 901 CG HIS B 12 12.536 -6.517 -3.424 1.00 0.00 C ATOM 902 ND1 HIS B 12 11.309 -7.093 -3.681 1.00 0.00 N ATOM 903 CD2 HIS B 12 12.692 -6.550 -2.081 1.00 0.00 C ATOM 904 CE1 HIS B 12 10.749 -7.456 -2.540 1.00 0.00 C ATOM 905 NE2 HIS B 12 11.569 -7.138 -1.556 1.00 0.00 N ATOM 0 H HIS B 12 15.304 -4.364 -4.596 1.00 0.00 H new ATOM 0 HA HIS B 12 12.706 -4.488 -5.839 1.00 0.00 H new ATOM 0 HB2 HIS B 12 13.307 -6.600 -5.394 1.00 0.00 H new ATOM 0 HB3 HIS B 12 14.475 -6.122 -4.178 1.00 0.00 H new ATOM 0 HD2 HIS B 12 13.542 -6.182 -1.525 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.785 -7.931 -2.432 1.00 0.00 H new ATOM 0 HE2 HIS B 12 11.396 -7.303 -0.564 1.00 0.00 H new ATOM 914 N HIS B 13 13.011 -3.176 -2.855 1.00 0.00 N ATOM 915 CA HIS B 13 12.288 -2.423 -1.837 1.00 0.00 C ATOM 916 C HIS B 13 11.681 -1.161 -2.427 1.00 0.00 C ATOM 917 O HIS B 13 10.630 -0.712 -1.987 1.00 0.00 O ATOM 918 CB HIS B 13 13.208 -2.038 -0.683 1.00 0.00 C ATOM 919 CG HIS B 13 13.903 -3.192 -0.045 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.390 -4.471 -0.016 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.086 -3.246 0.598 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.233 -5.265 0.621 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.271 -4.544 1.004 1.00 0.00 N ATOM 0 H HIS B 13 14.020 -3.221 -2.714 1.00 0.00 H new ATOM 0 HA HIS B 13 11.493 -3.067 -1.462 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.956 -1.335 -1.049 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.623 -1.516 0.075 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.763 -2.421 0.763 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.096 -6.322 0.798 1.00 0.00 H new ATOM 0 HE2 HIS B 13 16.079 -4.895 1.518 1.00 0.00 H new ATOM 932 N ALA B 14 12.352 -0.589 -3.423 1.00 0.00 N ATOM 933 CA ALA B 14 11.864 0.623 -4.064 1.00 0.00 C ATOM 934 C ALA B 14 10.614 0.318 -4.867 1.00 0.00 C ATOM 935 O ALA B 14 9.575 0.952 -4.682 1.00 0.00 O ATOM 936 CB ALA B 14 12.940 1.229 -4.953 1.00 0.00 C ATOM 0 H ALA B 14 13.230 -0.945 -3.800 1.00 0.00 H new ATOM 0 HA ALA B 14 11.614 1.351 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.556 2.134 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.814 1.476 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.222 0.511 -5.723 1.00 0.00 H new ATOM 942 N LYS B 15 10.710 -0.674 -5.743 1.00 0.00 N ATOM 943 CA LYS B 15 9.568 -1.074 -6.548 1.00 0.00 C ATOM 944 C LYS B 15 8.468 -1.654 -5.658 1.00 0.00 C ATOM 945 O LYS B 15 7.321 -1.790 -6.083 1.00 0.00 O ATOM 946 CB LYS B 15 9.987 -2.100 -7.602 1.00 0.00 C ATOM 947 CG LYS B 15 10.152 -1.510 -8.993 1.00 0.00 C ATOM 948 CD LYS B 15 8.975 -1.859 -9.889 1.00 0.00 C ATOM 949 CE LYS B 15 9.064 -1.144 -11.228 1.00 0.00 C ATOM 950 NZ LYS B 15 8.312 -1.863 -12.293 1.00 0.00 N ATOM 0 H LYS B 15 11.560 -1.211 -5.912 1.00 0.00 H new ATOM 0 HA LYS B 15 9.180 -0.191 -7.057 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.928 -2.559 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.242 -2.895 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.247 -0.427 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS B 15 11.074 -1.882 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.947 -2.936 -10.052 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.044 -1.587 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.671 -0.132 -11.126 1.00 0.00 H new ATOM 0 HE3 LYS B 15 10.110 -1.052 -11.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.398 -1.343 -13.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 8.703 -2.820 -12.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.309 -1.929 -12.026 1.00 0.00 H new ATOM 964 N GLU B 16 8.826 -1.993 -4.416 1.00 0.00 N ATOM 965 CA GLU B 16 7.871 -2.551 -3.470 1.00 0.00 C ATOM 966 C GLU B 16 7.063 -1.447 -2.795 1.00 0.00 C ATOM 967 O GLU B 16 5.869 -1.610 -2.549 1.00 0.00 O ATOM 968 CB GLU B 16 8.594 -3.390 -2.416 1.00 0.00 C ATOM 969 CG GLU B 16 7.662 -4.248 -1.576 1.00 0.00 C ATOM 970 CD GLU B 16 6.626 -4.974 -2.411 1.00 0.00 C ATOM 971 OE1 GLU B 16 6.986 -5.486 -3.492 1.00 0.00 O ATOM 972 OE2 GLU B 16 5.453 -5.032 -1.985 1.00 0.00 O ATOM 0 H GLU B 16 9.771 -1.889 -4.048 1.00 0.00 H new ATOM 0 HA GLU B 16 7.184 -3.191 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.319 -4.035 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU B 16 9.155 -2.726 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.250 -4.977 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.157 -3.619 -0.843 1.00 0.00 H new ATOM 979 N ILE B 17 7.715 -0.324 -2.493 1.00 0.00 N ATOM 980 CA ILE B 17 7.031 0.790 -1.849 1.00 0.00 C ATOM 981 C ILE B 17 6.109 1.506 -2.838 1.00 0.00 C ATOM 982 O ILE B 17 5.013 1.941 -2.481 1.00 0.00 O ATOM 983 CB ILE B 17 8.044 1.788 -1.222 1.00 0.00 C ATOM 984 CG1 ILE B 17 8.587 2.783 -2.258 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.192 1.033 -0.580 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.719 4.010 -2.430 1.00 0.00 C ATOM 0 H ILE B 17 8.705 -0.165 -2.683 1.00 0.00 H new ATOM 0 HA ILE B 17 6.421 0.383 -1.043 1.00 0.00 H new ATOM 0 HB ILE B 17 7.511 2.359 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE B 17 9.588 3.095 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE B 17 8.683 2.278 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.895 1.742 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE B 17 8.805 0.379 0.201 1.00 0.00 H new ATOM 0 HG23 ILE B 17 9.701 0.435 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE B 17 8.163 4.668 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE B 17 6.724 3.709 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE B 17 7.643 4.538 -1.480 1.00 0.00 H new ATOM 998 N GLU B 18 6.561 1.614 -4.085 1.00 0.00 N ATOM 999 CA GLU B 18 5.777 2.266 -5.126 1.00 0.00 C ATOM 1000 C GLU B 18 4.639 1.363 -5.585 1.00 0.00 C ATOM 1001 O GLU B 18 3.546 1.833 -5.901 1.00 0.00 O ATOM 1002 CB GLU B 18 6.669 2.629 -6.315 1.00 0.00 C ATOM 1003 CG GLU B 18 6.447 4.041 -6.834 1.00 0.00 C ATOM 1004 CD GLU B 18 7.447 4.434 -7.902 1.00 0.00 C ATOM 1005 OE1 GLU B 18 8.603 3.962 -7.836 1.00 0.00 O ATOM 1006 OE2 GLU B 18 7.078 5.213 -8.805 1.00 0.00 O ATOM 0 H GLU B 18 7.465 1.259 -4.397 1.00 0.00 H new ATOM 0 HA GLU B 18 5.351 3.180 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.713 2.518 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.488 1.921 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.438 4.121 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU B 18 6.513 4.744 -6.003 1.00 0.00 H new ATOM 1013 N ARG B 19 4.903 0.060 -5.614 1.00 0.00 N ATOM 1014 CA ARG B 19 3.902 -0.911 -6.030 1.00 0.00 C ATOM 1015 C ARG B 19 2.815 -1.051 -4.971 1.00 0.00 C ATOM 1016 O ARG B 19 1.647 -1.279 -5.292 1.00 0.00 O ATOM 1017 CB ARG B 19 4.552 -2.271 -6.295 1.00 0.00 C ATOM 1018 CG ARG B 19 5.213 -2.373 -7.660 1.00 0.00 C ATOM 1019 CD ARG B 19 4.325 -3.102 -8.656 1.00 0.00 C ATOM 1020 NE ARG B 19 4.697 -4.507 -8.793 1.00 0.00 N ATOM 1021 CZ ARG B 19 5.858 -4.915 -9.296 1.00 0.00 C ATOM 1022 NH1 ARG B 19 6.753 -4.028 -9.707 1.00 0.00 N ATOM 1023 NH2 ARG B 19 6.123 -6.212 -9.388 1.00 0.00 N ATOM 0 H ARG B 19 5.802 -0.346 -5.354 1.00 0.00 H new ATOM 0 HA ARG B 19 3.446 -0.553 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.298 -2.464 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG B 19 3.794 -3.050 -6.208 1.00 0.00 H new ATOM 0 HG2 ARG B 19 5.436 -1.373 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG B 19 6.164 -2.898 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG B 19 3.286 -3.032 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG B 19 4.392 -2.613 -9.628 1.00 0.00 H new ATOM 0 HE ARG B 19 4.029 -5.214 -8.486 1.00 0.00 H new ATOM 0 HH11 ARG B 19 6.552 -3.031 -9.638 1.00 0.00 H new ATOM 0 HH12 ARG B 19 7.643 -4.343 -10.093 1.00 0.00 H new ATOM 0 HH21 ARG B 19 5.436 -6.897 -9.073 1.00 0.00 H new ATOM 0 HH22 ARG B 19 7.014 -6.524 -9.774 1.00 0.00 H new ATOM 1037 N LEU B 20 3.201 -0.903 -3.708 1.00 0.00 N ATOM 1038 CA LEU B 20 2.251 -1.004 -2.612 1.00 0.00 C ATOM 1039 C LEU B 20 1.319 0.200 -2.614 1.00 0.00 C ATOM 1040 O LEU B 20 0.125 0.075 -2.350 1.00 0.00 O ATOM 1041 CB LEU B 20 2.986 -1.097 -1.274 1.00 0.00 C ATOM 1042 CG LEU B 20 3.714 -2.421 -1.027 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.873 -2.220 -0.062 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.748 -3.467 -0.492 1.00 0.00 C ATOM 0 H LEU B 20 4.161 -0.714 -3.421 1.00 0.00 H new ATOM 0 HA LEU B 20 1.660 -1.910 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.711 -0.285 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.267 -0.939 -0.470 1.00 0.00 H new ATOM 0 HG LEU B 20 4.115 -2.777 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.379 -3.171 0.102 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.577 -1.502 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.494 -1.842 0.888 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.282 -4.402 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.318 -3.119 0.447 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.951 -3.631 -1.217 1.00 0.00 H new ATOM 1056 N GLN B 21 1.878 1.367 -2.922 1.00 0.00 N ATOM 1057 CA GLN B 21 1.103 2.600 -2.969 1.00 0.00 C ATOM 1058 C GLN B 21 0.006 2.510 -4.026 1.00 0.00 C ATOM 1059 O GLN B 21 -1.145 2.868 -3.774 1.00 0.00 O ATOM 1060 CB GLN B 21 2.021 3.787 -3.269 1.00 0.00 C ATOM 1061 CG GLN B 21 2.135 4.781 -2.123 1.00 0.00 C ATOM 1062 CD GLN B 21 0.793 5.323 -1.662 1.00 0.00 C ATOM 1063 OE1 GLN B 21 0.615 5.638 -0.486 1.00 0.00 O ATOM 1064 NE2 GLN B 21 -0.159 5.440 -2.582 1.00 0.00 N ATOM 0 H GLN B 21 2.867 1.483 -3.143 1.00 0.00 H new ATOM 0 HA GLN B 21 0.634 2.747 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.015 3.413 -3.513 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.650 4.307 -4.153 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.633 4.299 -1.282 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.767 5.613 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN B 21 0.028 5.168 -3.547 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -1.077 5.802 -2.323 1.00 0.00 H new ATOM 1073 N LYS B 22 0.370 2.029 -5.212 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.587 1.894 -6.304 1.00 0.00 C ATOM 1075 C LYS B 22 -1.678 0.889 -5.950 1.00 0.00 C ATOM 1076 O LYS B 22 -2.832 1.044 -6.351 1.00 0.00 O ATOM 1077 CB LYS B 22 0.126 1.460 -7.586 1.00 0.00 C ATOM 1078 CG LYS B 22 0.927 0.178 -7.432 1.00 0.00 C ATOM 1079 CD LYS B 22 1.496 -0.287 -8.763 1.00 0.00 C ATOM 1080 CE LYS B 22 0.916 -1.629 -9.178 1.00 0.00 C ATOM 1081 NZ LYS B 22 0.961 -1.822 -10.654 1.00 0.00 N ATOM 0 H LYS B 22 1.317 1.728 -5.440 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.052 2.866 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -0.614 1.324 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.793 2.259 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS B 22 1.740 0.339 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.290 -0.602 -7.015 1.00 0.00 H new ATOM 0 HD2 LYS B 22 1.282 0.456 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS B 22 2.581 -0.365 -8.689 1.00 0.00 H new ATOM 0 HE2 LYS B 22 1.471 -2.430 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -0.116 -1.700 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 0.556 -2.749 -10.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 0.411 -1.072 -11.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 1.948 -1.780 -10.980 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.306 -0.141 -5.199 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.254 -1.172 -4.791 1.00 0.00 C ATOM 1097 C GLU B 23 -3.295 -0.610 -3.828 1.00 0.00 C ATOM 1098 O GLU B 23 -4.471 -0.977 -3.885 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.516 -2.341 -4.137 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.198 -3.684 -4.345 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.322 -4.852 -3.938 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.964 -4.938 -2.745 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -0.995 -5.682 -4.813 1.00 0.00 O ATOM 0 H GLU B 23 -0.355 -0.285 -4.860 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.769 -1.528 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.504 -2.391 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.426 -2.150 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.123 -3.711 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.473 -3.789 -5.395 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.861 0.285 -2.946 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.768 0.892 -1.977 1.00 0.00 C ATOM 1112 C ILE B 24 -4.815 1.743 -2.699 1.00 0.00 C ATOM 1113 O ILE B 24 -5.994 1.736 -2.341 1.00 0.00 O ATOM 1114 CB ILE B 24 -3.008 1.732 -0.898 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.892 3.215 -1.281 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.624 1.155 -0.641 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -4.119 4.019 -0.915 1.00 0.00 C ATOM 0 H ILE B 24 -1.894 0.604 -2.882 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.272 0.085 -1.445 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.600 1.674 0.015 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -2.022 3.645 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.719 3.295 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.114 1.755 0.113 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.718 0.129 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -1.047 1.167 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.975 5.058 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.988 3.612 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.280 3.968 0.162 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.368 2.467 -3.722 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.254 3.318 -4.505 1.00 0.00 C ATOM 1131 C GLU B 25 -6.343 2.487 -5.170 1.00 0.00 C ATOM 1132 O GLU B 25 -7.509 2.882 -5.201 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.459 4.084 -5.565 1.00 0.00 C ATOM 1134 CG GLU B 25 -5.238 5.222 -6.205 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.862 5.441 -7.657 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.759 5.010 -8.057 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -5.670 6.043 -8.396 1.00 0.00 O ATOM 0 H GLU B 25 -3.395 2.480 -4.027 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.724 4.035 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.554 4.486 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.142 3.389 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -6.305 5.010 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.060 6.140 -5.645 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.957 1.327 -5.693 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.906 0.435 -6.345 1.00 0.00 C ATOM 1146 C ARG B 26 -8.024 0.066 -5.379 1.00 0.00 C ATOM 1147 O ARG B 26 -9.206 0.087 -5.735 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.200 -0.830 -6.838 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.118 -1.790 -7.576 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.332 -2.738 -8.469 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.763 -4.123 -8.308 1.00 0.00 N ATOM 1152 CZ ARG B 26 -7.916 -4.594 -8.771 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -8.750 -3.792 -9.419 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -8.237 -5.867 -8.586 1.00 0.00 N ATOM 0 H ARG B 26 -4.996 0.985 -5.677 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.334 0.951 -7.204 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.380 -0.545 -7.497 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -5.759 -1.346 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -7.699 -2.365 -6.856 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.828 -1.225 -8.180 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.453 -2.439 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -5.270 -2.659 -8.236 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.145 -4.765 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -8.507 -2.812 -9.563 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -9.635 -4.155 -9.774 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.598 -6.487 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -9.123 -6.227 -8.942 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.645 -0.250 -4.144 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.617 -0.598 -3.126 1.00 0.00 C ATOM 1170 C HIS B 27 -9.429 0.631 -2.745 1.00 0.00 C ATOM 1171 O HIS B 27 -10.558 0.517 -2.272 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.917 -1.173 -1.894 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.310 -2.584 -1.588 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.515 -2.922 -1.007 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.652 -3.750 -1.789 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -9.579 -4.234 -0.862 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -8.462 -4.759 -1.329 1.00 0.00 N ATOM 0 H HIS B 27 -6.675 -0.271 -3.830 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.289 -1.357 -3.526 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.838 -1.129 -2.045 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.143 -0.546 -1.032 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.673 -3.865 -2.229 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.405 -4.783 -0.434 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -8.237 -5.754 -1.346 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.843 1.809 -2.956 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.509 3.063 -2.639 1.00 0.00 C ATOM 1188 C LYS B 28 -10.615 3.358 -3.644 1.00 0.00 C ATOM 1189 O LYS B 28 -11.590 4.041 -3.330 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.499 4.213 -2.620 1.00 0.00 C ATOM 1191 CG LYS B 28 -9.003 5.454 -1.902 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.378 6.718 -2.469 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.036 7.016 -1.819 1.00 0.00 C ATOM 1194 NZ LYS B 28 -6.368 8.194 -2.438 1.00 0.00 N ATOM 0 H LYS B 28 -7.907 1.917 -3.346 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.957 2.968 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.582 3.872 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.242 4.476 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.088 5.512 -1.991 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.774 5.379 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.246 6.609 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.053 7.560 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.181 7.199 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -6.388 6.144 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -5.457 8.364 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.206 8.010 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.974 9.032 -2.332 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.459 2.834 -4.855 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.448 3.036 -5.904 1.00 0.00 C ATOM 1210 C GLN B 29 -12.657 2.138 -5.676 1.00 0.00 C ATOM 1211 O GLN B 29 -13.800 2.568 -5.832 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.834 2.752 -7.277 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.810 2.938 -8.428 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.439 2.113 -9.645 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.334 1.576 -9.733 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -12.362 2.007 -10.592 1.00 0.00 N ATOM 0 H GLN B 29 -9.658 2.267 -5.133 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.774 4.076 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.978 3.410 -7.427 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.456 1.730 -7.293 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.812 2.663 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.844 3.992 -8.704 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -13.265 2.468 -10.478 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -12.169 1.464 -11.434 1.00 0.00 H new ATOM 1225 N SER B 30 -12.397 0.889 -5.303 1.00 0.00 N ATOM 1226 CA SER B 30 -13.469 -0.068 -5.051 1.00 0.00 C ATOM 1227 C SER B 30 -14.283 0.331 -3.820 1.00 0.00 C ATOM 1228 O SER B 30 -15.510 0.221 -3.811 1.00 0.00 O ATOM 1229 CB SER B 30 -12.893 -1.472 -4.860 1.00 0.00 C ATOM 1230 OG SER B 30 -12.930 -2.208 -6.071 1.00 0.00 O ATOM 0 H SER B 30 -11.457 0.517 -5.169 1.00 0.00 H new ATOM 0 HA SER B 30 -14.131 -0.067 -5.917 1.00 0.00 H new ATOM 0 HB2 SER B 30 -11.865 -1.401 -4.505 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.460 -2.000 -4.093 1.00 0.00 H new ATOM 0 HG SER B 30 -12.555 -3.101 -5.923 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.591 0.798 -2.785 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.247 1.213 -1.549 1.00 0.00 C ATOM 1238 C ILE B 31 -15.018 2.514 -1.752 1.00 0.00 C ATOM 1239 O ILE B 31 -16.088 2.709 -1.176 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.217 1.386 -0.410 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.864 1.945 0.856 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.092 2.299 -0.853 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.681 0.929 1.607 1.00 0.00 C ATOM 0 H ILE B 31 -12.576 0.899 -2.778 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.951 0.429 -1.269 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.817 0.399 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.085 2.332 1.513 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.502 2.787 0.588 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.374 2.412 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.593 1.867 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.498 3.276 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.112 1.393 2.495 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.481 0.560 0.966 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -14.043 0.097 1.905 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.470 3.399 -2.576 1.00 0.00 N ATOM 1256 CA LYS B 32 -15.111 4.676 -2.856 1.00 0.00 C ATOM 1257 C LYS B 32 -16.308 4.497 -3.786 1.00 0.00 C ATOM 1258 O LYS B 32 -17.189 5.353 -3.851 1.00 0.00 O ATOM 1259 CB LYS B 32 -14.107 5.649 -3.478 1.00 0.00 C ATOM 1260 CG LYS B 32 -14.598 7.087 -3.518 1.00 0.00 C ATOM 1261 CD LYS B 32 -13.455 8.059 -3.759 1.00 0.00 C ATOM 1262 CE LYS B 32 -13.255 8.328 -5.242 1.00 0.00 C ATOM 1263 NZ LYS B 32 -13.550 9.744 -5.596 1.00 0.00 N ATOM 0 H LYS B 32 -13.584 3.255 -3.061 1.00 0.00 H new ATOM 0 HA LYS B 32 -15.469 5.087 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -13.176 5.607 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.879 5.323 -4.493 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -15.343 7.197 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -15.092 7.330 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -13.659 8.997 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -12.536 7.654 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -12.227 8.092 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -13.901 7.667 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -13.401 9.885 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -14.538 9.963 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -12.917 10.374 -5.063 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.331 3.381 -4.512 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.416 3.099 -5.443 1.00 0.00 C ATOM 1279 C LYS B 33 -18.633 2.522 -4.725 1.00 0.00 C ATOM 1280 O LYS B 33 -19.772 2.845 -5.067 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.945 2.131 -6.529 1.00 0.00 C ATOM 1282 CG LYS B 33 -18.009 1.819 -7.570 1.00 0.00 C ATOM 1283 CD LYS B 33 -17.414 1.121 -8.781 1.00 0.00 C ATOM 1284 CE LYS B 33 -18.309 -0.005 -9.270 1.00 0.00 C ATOM 1285 NZ LYS B 33 -19.334 0.478 -10.237 1.00 0.00 N ATOM 0 H LYS B 33 -15.611 2.660 -4.472 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.710 4.042 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.073 2.554 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.623 1.201 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.779 1.188 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.495 2.743 -7.883 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.266 1.844 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.432 0.722 -8.526 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -17.698 -0.774 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.805 -0.470 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -19.924 -0.321 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -19.933 1.194 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -18.862 0.899 -11.062 1.00 0.00 H new ATOM 1299 N LEU B 34 -18.396 1.668 -3.733 1.00 0.00 N ATOM 1300 CA LEU B 34 -19.490 1.062 -2.987 1.00 0.00 C ATOM 1301 C LEU B 34 -20.019 2.021 -1.927 1.00 0.00 C ATOM 1302 O LEU B 34 -21.173 1.922 -1.507 1.00 0.00 O ATOM 1303 CB LEU B 34 -19.033 -0.244 -2.338 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.594 -1.335 -3.316 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -17.545 -2.233 -2.679 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.793 -2.154 -3.772 1.00 0.00 C ATOM 0 H LEU B 34 -17.464 1.383 -3.431 1.00 0.00 H new ATOM 0 HA LEU B 34 -20.298 0.843 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -18.204 -0.026 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -19.847 -0.632 -1.726 1.00 0.00 H new ATOM 0 HG LEU B 34 -18.151 -0.857 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -17.245 -3.003 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -16.676 -1.637 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -17.961 -2.704 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -19.463 -2.926 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -20.264 -2.622 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.512 -1.502 -4.268 1.00 0.00 H new ATOM 1318 N LYS B 35 -19.174 2.955 -1.503 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.564 3.936 -0.499 1.00 0.00 C ATOM 1320 C LYS B 35 -20.271 5.118 -1.152 1.00 0.00 C ATOM 1321 O LYS B 35 -21.137 5.749 -0.545 1.00 0.00 O ATOM 1322 CB LYS B 35 -18.338 4.419 0.281 1.00 0.00 C ATOM 1323 CG LYS B 35 -17.431 5.341 -0.517 1.00 0.00 C ATOM 1324 CD LYS B 35 -17.788 6.802 -0.297 1.00 0.00 C ATOM 1325 CE LYS B 35 -16.587 7.604 0.178 1.00 0.00 C ATOM 1326 NZ LYS B 35 -16.989 8.907 0.775 1.00 0.00 N ATOM 0 H LYS B 35 -18.216 3.053 -1.839 1.00 0.00 H new ATOM 0 HA LYS B 35 -20.255 3.459 0.196 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -18.671 4.940 1.179 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.763 3.553 0.610 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -16.394 5.172 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -17.510 5.102 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -18.167 7.229 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -18.589 6.875 0.438 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -16.031 7.024 0.915 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -15.914 7.782 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -16.141 9.423 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -17.497 9.472 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -17.610 8.738 1.592 1.00 0.00 H new ATOM 1340 N GLN B 36 -19.900 5.411 -2.395 1.00 0.00 N ATOM 1341 CA GLN B 36 -20.504 6.515 -3.132 1.00 0.00 C ATOM 1342 C GLN B 36 -21.853 6.102 -3.708 1.00 0.00 C ATOM 1343 O GLN B 36 -22.761 6.923 -3.841 1.00 0.00 O ATOM 1344 CB GLN B 36 -19.575 6.978 -4.256 1.00 0.00 C ATOM 1345 CG GLN B 36 -18.523 7.977 -3.803 1.00 0.00 C ATOM 1346 CD GLN B 36 -18.519 9.239 -4.646 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -18.188 9.205 -5.831 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -18.884 10.360 -4.035 1.00 0.00 N ATOM 0 H GLN B 36 -19.185 4.900 -2.912 1.00 0.00 H new ATOM 0 HA GLN B 36 -20.659 7.342 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -19.077 6.109 -4.686 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -20.173 7.427 -5.049 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -18.702 8.241 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -17.539 7.510 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -19.151 10.341 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -18.898 11.240 -4.550 1.00 0.00 H new ATOM 1357 N SER B 37 -21.979 4.822 -4.045 1.00 0.00 N ATOM 1358 CA SER B 37 -23.219 4.298 -4.605 1.00 0.00 C ATOM 1359 C SER B 37 -24.273 4.126 -3.516 1.00 0.00 C ATOM 1360 O SER B 37 -25.473 4.172 -3.787 1.00 0.00 O ATOM 1361 CB SER B 37 -22.964 2.960 -5.300 1.00 0.00 C ATOM 1362 OG SER B 37 -24.145 2.179 -5.354 1.00 0.00 O ATOM 0 H SER B 37 -21.238 4.129 -3.940 1.00 0.00 H new ATOM 0 HA SER B 37 -23.591 5.014 -5.338 1.00 0.00 H new ATOM 0 HB2 SER B 37 -22.595 3.136 -6.310 1.00 0.00 H new ATOM 0 HB3 SER B 37 -22.186 2.413 -4.767 1.00 0.00 H new ATOM 0 HG SER B 37 -23.955 1.330 -5.804 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.816 3.928 -2.283 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.719 3.750 -1.153 1.00 0.00 C ATOM 1370 C GLU B 38 -25.356 5.077 -0.754 1.00 0.00 C ATOM 1371 O GLU B 38 -26.455 5.109 -0.201 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.969 3.153 0.038 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.259 1.677 0.262 1.00 0.00 C ATOM 1374 CD GLU B 38 -25.608 1.440 0.910 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -25.714 1.616 2.142 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -26.559 1.076 0.186 1.00 0.00 O ATOM 0 H GLU B 38 -22.826 3.887 -2.042 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.509 3.063 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.898 3.285 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -24.234 3.707 0.938 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -24.222 1.154 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.478 1.248 0.890 1.00 0.00 H new ATOM 1383 N ASP B 39 -24.658 6.172 -1.039 1.00 0.00 N ATOM 1384 CA ASP B 39 -25.155 7.503 -0.712 1.00 0.00 C ATOM 1385 C ASP B 39 -26.211 7.951 -1.716 1.00 0.00 C ATOM 1386 O ASP B 39 -27.069 8.777 -1.404 1.00 0.00 O ATOM 1387 CB ASP B 39 -24.002 8.508 -0.683 1.00 0.00 C ATOM 1388 CG ASP B 39 -24.343 9.757 0.106 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -25.444 9.805 0.694 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -23.510 10.687 0.134 1.00 0.00 O ATOM 0 H ASP B 39 -23.746 6.163 -1.496 1.00 0.00 H new ATOM 0 HA ASP B 39 -25.614 7.460 0.276 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -23.122 8.035 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -23.741 8.787 -1.704 1.00 0.00 H new ATOM 1395 N ASP B 40 -26.143 7.400 -2.925 1.00 0.00 N ATOM 1396 CA ASP B 40 -27.094 7.742 -3.976 1.00 0.00 C ATOM 1397 C ASP B 40 -26.910 9.189 -4.426 1.00 0.00 C ATOM 1398 O ASP B 40 -26.309 9.998 -3.720 1.00 0.00 O ATOM 1399 CB ASP B 40 -28.527 7.527 -3.486 1.00 0.00 C ATOM 1400 CG ASP B 40 -29.152 6.271 -4.058 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -28.708 5.826 -5.138 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -30.084 5.730 -3.427 1.00 0.00 O ATOM 0 H ASP B 40 -25.439 6.715 -3.200 1.00 0.00 H new ATOM 0 HA ASP B 40 -26.907 7.088 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -28.531 7.468 -2.398 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -29.135 8.389 -3.760 1.00 0.00 H new ATOM 1407 N ASP B 41 -27.433 9.506 -5.607 1.00 0.00 N ATOM 1408 CA ASP B 41 -27.326 10.855 -6.152 1.00 0.00 C ATOM 1409 C ASP B 41 -25.882 11.344 -6.115 1.00 0.00 C ATOM 1410 O ASP B 41 -24.979 10.506 -5.905 1.00 0.00 O ATOM 1411 CB ASP B 41 -28.222 11.815 -5.369 1.00 0.00 C ATOM 1412 CG ASP B 41 -29.624 11.272 -5.176 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -30.043 10.411 -5.979 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -30.303 11.705 -4.223 1.00 0.00 O ATOM 1415 OXT ASP B 41 -25.665 12.560 -6.297 1.00 0.00 O ATOM 0 H ASP B 41 -27.934 8.848 -6.204 1.00 0.00 H new ATOM 0 HA ASP B 41 -27.654 10.828 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -27.775 12.012 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -28.274 12.769 -5.894 1.00 0.00 H new TER 1420 ASP B 41