USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=14 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 35 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0622) USER MOD Set 2.1: B 12 HIS : no HE2:sc= -4.78! K(o=-9.6!,f=-7.7) USER MOD Set 2.2: B 13 HIS : no HE2:sc= -4.84! C(o=-9.6!,f=-10!) USER MOD Set 3.1: B 5 HIS : no HD1:sc= -0.514 X(o=-0.85,f=-0.39) USER MOD Set 3.2: B 6 HIS : no HD1:sc= -0.337 X(o=-0.85,f=-1) USER MOD Set 4.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 35 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0758) USER MOD Set 5.1: A 12 HIS : no HE2:sc= -4.74! K(o=-9.5!,f=-7.6) USER MOD Set 5.2: A 13 HIS : no HE2:sc= -4.76! C(o=-9.5!,f=-10!) USER MOD Set 6.1: A 5 HIS : no HD1:sc= -0.616 K(o=-0.98,f=-0.44) USER MOD Set 6.2: A 6 HIS : no HD1:sc= -0.362 X(o=-0.98,f=-1) USER MOD Single : A 1 ALA N :NH3+ 177:sc= 0 (180deg=-0.00715) 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 8 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.35) 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 21 GLN : amide:sc= -0.616 K(o=-0.62,f=-0.034) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -3.64! K(o=-3.6!,f=-2.6) 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) USER MOD Single : A 30 SER OG : rot 33:sc= 0.544 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.59 K(o=-2.6,f=-1.9) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 177:sc= 0 (180deg=-0.00587) 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 8 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.35) 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 21 GLN : amide:sc= -0.581 K(o=-0.58,f=-0.031) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -3.56! K(o=-3.6!,f=-2.6) 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) USER MOD Single : B 30 SER OG : rot 34:sc= 0.508 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -2.71 K(o=-2.7,f=-1.9) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -35.703 -7.784 3.183 1.00 0.00 N ATOM 2 CA ALA A 1 -34.587 -8.126 2.265 1.00 0.00 C ATOM 3 C ALA A 1 -33.690 -6.918 2.019 1.00 0.00 C ATOM 4 O ALA A 1 -33.330 -6.621 0.880 1.00 0.00 O ATOM 5 CB ALA A 1 -35.133 -8.655 0.946 1.00 0.00 C ATOM 0 H1 ALA A 1 -36.327 -8.609 3.294 1.00 0.00 H new ATOM 0 H2 ALA A 1 -35.319 -7.514 4.111 1.00 0.00 H new ATOM 0 H3 ALA A 1 -36.246 -6.990 2.788 1.00 0.00 H new ATOM 0 HA ALA A 1 -33.986 -8.904 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -34.305 -8.902 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -35.729 -9.549 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -35.757 -7.893 0.479 1.00 0.00 H new ATOM 13 N LEU A 2 -33.332 -6.224 3.095 1.00 0.00 N ATOM 14 CA LEU A 2 -32.477 -5.048 2.995 1.00 0.00 C ATOM 15 C LEU A 2 -31.097 -5.421 2.461 1.00 0.00 C ATOM 16 O LEU A 2 -30.852 -6.572 2.101 1.00 0.00 O ATOM 17 CB LEU A 2 -32.341 -4.373 4.362 1.00 0.00 C ATOM 18 CG LEU A 2 -33.663 -3.984 5.025 1.00 0.00 C ATOM 19 CD1 LEU A 2 -33.981 -4.928 6.176 1.00 0.00 C ATOM 20 CD2 LEU A 2 -33.610 -2.544 5.513 1.00 0.00 C ATOM 0 H LEU A 2 -33.621 -6.456 4.045 1.00 0.00 H new ATOM 0 HA LEU A 2 -32.941 -4.351 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -31.801 -5.044 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -31.731 -3.477 4.249 1.00 0.00 H new ATOM 0 HG LEU A 2 -34.458 -4.067 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -34.925 -4.636 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -34.061 -5.948 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -33.185 -4.877 6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -34.559 -2.284 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -32.804 -2.435 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -33.429 -1.880 4.668 1.00 0.00 H new ATOM 32 N LYS A 3 -30.201 -4.440 2.414 1.00 0.00 N ATOM 33 CA LYS A 3 -28.846 -4.667 1.924 1.00 0.00 C ATOM 34 C LYS A 3 -27.817 -4.326 2.996 1.00 0.00 C ATOM 35 O LYS A 3 -27.103 -3.329 2.891 1.00 0.00 O ATOM 36 CB LYS A 3 -28.590 -3.830 0.670 1.00 0.00 C ATOM 37 CG LYS A 3 -29.147 -4.450 -0.600 1.00 0.00 C ATOM 38 CD LYS A 3 -30.618 -4.114 -0.786 1.00 0.00 C ATOM 39 CE LYS A 3 -31.045 -4.264 -2.237 1.00 0.00 C ATOM 40 NZ LYS A 3 -32.112 -5.289 -2.399 1.00 0.00 N ATOM 0 H LYS A 3 -30.388 -3.482 2.709 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.747 -5.723 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.031 -2.843 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.516 -3.686 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.580 -4.093 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.022 -5.532 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.224 -4.767 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.804 -3.092 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -31.403 -3.305 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.182 -4.540 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.375 -5.361 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.762 -6.210 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -32.946 -5.013 -1.842 1.00 0.00 H new ATOM 54 N LYS A 4 -27.744 -5.161 4.027 1.00 0.00 N ATOM 55 CA LYS A 4 -26.802 -4.949 5.119 1.00 0.00 C ATOM 56 C LYS A 4 -25.434 -5.531 4.777 1.00 0.00 C ATOM 57 O LYS A 4 -24.401 -4.940 5.092 1.00 0.00 O ATOM 58 CB LYS A 4 -27.330 -5.580 6.408 1.00 0.00 C ATOM 59 CG LYS A 4 -27.514 -4.584 7.542 1.00 0.00 C ATOM 60 CD LYS A 4 -28.836 -3.845 7.427 1.00 0.00 C ATOM 61 CE LYS A 4 -29.218 -3.175 8.737 1.00 0.00 C ATOM 62 NZ LYS A 4 -30.650 -3.395 9.077 1.00 0.00 N ATOM 0 H LYS A 4 -28.327 -5.992 4.129 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.694 -3.875 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.285 -6.063 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.641 -6.361 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -27.471 -5.107 8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -26.693 -3.867 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -28.766 -3.094 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -29.620 -4.543 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -28.591 -3.563 9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -29.022 -2.105 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -30.870 -2.922 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -31.250 -3.002 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -30.832 -4.415 9.168 1.00 0.00 H new ATOM 76 N HIS A 5 -25.435 -6.693 4.133 1.00 0.00 N ATOM 77 CA HIS A 5 -24.195 -7.356 3.749 1.00 0.00 C ATOM 78 C HIS A 5 -23.274 -6.395 3.003 1.00 0.00 C ATOM 79 O HIS A 5 -22.050 -6.491 3.099 1.00 0.00 O ATOM 80 CB HIS A 5 -24.492 -8.577 2.876 1.00 0.00 C ATOM 81 CG HIS A 5 -25.249 -8.248 1.627 1.00 0.00 C ATOM 82 ND1 HIS A 5 -26.607 -8.449 1.493 1.00 0.00 N ATOM 83 CD2 HIS A 5 -24.830 -7.731 0.448 1.00 0.00 C ATOM 84 CE1 HIS A 5 -26.990 -8.069 0.288 1.00 0.00 C ATOM 85 NE2 HIS A 5 -25.931 -7.629 -0.365 1.00 0.00 N ATOM 0 H HIS A 5 -26.282 -7.195 3.866 1.00 0.00 H new ATOM 0 HA HIS A 5 -23.691 -7.683 4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.552 -9.058 2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -25.064 -9.300 3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -23.818 -7.451 0.195 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -27.998 -8.111 -0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -25.931 -7.271 -1.320 1.00 0.00 H new ATOM 94 N HIS A 6 -23.870 -5.470 2.259 1.00 0.00 N ATOM 95 CA HIS A 6 -23.103 -4.492 1.496 1.00 0.00 C ATOM 96 C HIS A 6 -22.299 -3.588 2.425 1.00 0.00 C ATOM 97 O HIS A 6 -21.081 -3.481 2.299 1.00 0.00 O ATOM 98 CB HIS A 6 -24.035 -3.648 0.624 1.00 0.00 C ATOM 99 CG HIS A 6 -23.763 -3.779 -0.843 1.00 0.00 C ATOM 100 ND1 HIS A 6 -23.403 -4.970 -1.438 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.802 -2.860 -1.837 1.00 0.00 C ATOM 102 CE1 HIS A 6 -23.231 -4.778 -2.734 1.00 0.00 C ATOM 103 NE2 HIS A 6 -23.467 -3.508 -3.000 1.00 0.00 N ATOM 0 H HIS A 6 -24.882 -5.377 2.168 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.408 -5.033 0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -25.067 -3.939 0.821 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.939 -2.601 0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.050 -1.814 -1.734 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.946 -5.532 -3.453 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.410 -3.076 -3.922 1.00 0.00 H new ATOM 112 N GLU A 7 -22.989 -2.943 3.359 1.00 0.00 N ATOM 113 CA GLU A 7 -22.336 -2.051 4.310 1.00 0.00 C ATOM 114 C GLU A 7 -21.161 -2.748 4.988 1.00 0.00 C ATOM 115 O GLU A 7 -20.224 -2.098 5.450 1.00 0.00 O ATOM 116 CB GLU A 7 -23.337 -1.570 5.363 1.00 0.00 C ATOM 117 CG GLU A 7 -23.013 -0.196 5.925 1.00 0.00 C ATOM 118 CD GLU A 7 -24.127 0.355 6.795 1.00 0.00 C ATOM 119 OE1 GLU A 7 -25.290 -0.059 6.602 1.00 0.00 O ATOM 120 OE2 GLU A 7 -23.837 1.201 7.666 1.00 0.00 O ATOM 0 H GLU A 7 -23.999 -3.021 3.478 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.957 -1.189 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -24.333 -1.548 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -23.366 -2.290 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -22.095 -0.254 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.824 0.494 5.102 1.00 0.00 H new ATOM 127 N ASN A 8 -21.215 -4.075 5.037 1.00 0.00 N ATOM 128 CA ASN A 8 -20.150 -4.857 5.652 1.00 0.00 C ATOM 129 C ASN A 8 -18.903 -4.830 4.780 1.00 0.00 C ATOM 130 O ASN A 8 -17.841 -4.379 5.210 1.00 0.00 O ATOM 131 CB ASN A 8 -20.606 -6.301 5.874 1.00 0.00 C ATOM 132 CG ASN A 8 -21.092 -6.543 7.289 1.00 0.00 C ATOM 133 OD1 ASN A 8 -21.638 -5.647 7.933 1.00 0.00 O ATOM 134 ND2 ASN A 8 -20.895 -7.760 7.783 1.00 0.00 N ATOM 0 H ASN A 8 -21.983 -4.630 4.659 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.912 -4.414 6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -21.406 -6.538 5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.780 -6.978 5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -21.201 -7.981 8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.438 -8.473 7.215 1.00 0.00 H new ATOM 141 N GLU A 9 -19.041 -5.299 3.544 1.00 0.00 N ATOM 142 CA GLU A 9 -17.926 -5.308 2.608 1.00 0.00 C ATOM 143 C GLU A 9 -17.356 -3.902 2.448 1.00 0.00 C ATOM 144 O GLU A 9 -16.206 -3.729 2.046 1.00 0.00 O ATOM 145 CB GLU A 9 -18.376 -5.848 1.249 1.00 0.00 C ATOM 146 CG GLU A 9 -18.214 -7.353 1.109 1.00 0.00 C ATOM 147 CD GLU A 9 -18.893 -8.119 2.227 1.00 0.00 C ATOM 148 OE1 GLU A 9 -18.532 -7.898 3.401 1.00 0.00 O ATOM 149 OE2 GLU A 9 -19.785 -8.940 1.926 1.00 0.00 O ATOM 0 H GLU A 9 -19.912 -5.676 3.170 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.148 -5.960 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.423 -5.587 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.804 -5.355 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.627 -7.672 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.153 -7.601 1.096 1.00 0.00 H new ATOM 156 N ILE A 10 -18.172 -2.898 2.768 1.00 0.00 N ATOM 157 CA ILE A 10 -17.755 -1.509 2.664 1.00 0.00 C ATOM 158 C ILE A 10 -16.725 -1.171 3.748 1.00 0.00 C ATOM 159 O ILE A 10 -15.641 -0.670 3.453 1.00 0.00 O ATOM 160 CB ILE A 10 -19.001 -0.563 2.720 1.00 0.00 C ATOM 161 CG1 ILE A 10 -19.058 0.307 1.465 1.00 0.00 C ATOM 162 CG2 ILE A 10 -19.050 0.315 3.974 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.291 0.060 0.623 1.00 0.00 C ATOM 0 H ILE A 10 -19.127 -3.026 3.102 1.00 0.00 H new ATOM 0 HA ILE A 10 -17.269 -1.355 1.701 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.876 -1.211 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.030 1.357 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.170 0.120 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.940 0.943 3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -19.083 -0.318 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.162 0.946 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.270 0.709 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.310 -0.981 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -21.183 0.274 1.212 1.00 0.00 H new ATOM 175 N SER A 11 -17.075 -1.449 4.999 1.00 0.00 N ATOM 176 CA SER A 11 -16.184 -1.173 6.119 1.00 0.00 C ATOM 177 C SER A 11 -14.891 -1.974 5.999 1.00 0.00 C ATOM 178 O SER A 11 -13.856 -1.587 6.542 1.00 0.00 O ATOM 179 CB SER A 11 -16.877 -1.497 7.443 1.00 0.00 C ATOM 180 OG SER A 11 -16.477 -0.599 8.463 1.00 0.00 O ATOM 0 H SER A 11 -17.968 -1.865 5.262 1.00 0.00 H new ATOM 0 HA SER A 11 -15.935 -0.112 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.958 -1.446 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.640 -2.518 7.740 1.00 0.00 H new ATOM 0 HG SER A 11 -16.936 -0.827 9.298 1.00 0.00 H new ATOM 186 N HIS A 12 -14.958 -3.094 5.286 1.00 0.00 N ATOM 187 CA HIS A 12 -13.793 -3.947 5.100 1.00 0.00 C ATOM 188 C HIS A 12 -12.827 -3.319 4.090 1.00 0.00 C ATOM 189 O HIS A 12 -11.622 -3.254 4.333 1.00 0.00 O ATOM 190 CB HIS A 12 -14.252 -5.366 4.685 1.00 0.00 C ATOM 191 CG HIS A 12 -13.535 -5.973 3.511 1.00 0.00 C ATOM 192 ND1 HIS A 12 -12.281 -6.541 3.601 1.00 0.00 N ATOM 193 CD2 HIS A 12 -13.911 -6.097 2.218 1.00 0.00 C ATOM 194 CE1 HIS A 12 -11.917 -6.989 2.412 1.00 0.00 C ATOM 195 NE2 HIS A 12 -12.889 -6.731 1.556 1.00 0.00 N ATOM 0 H HIS A 12 -15.806 -3.430 4.829 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.246 -4.040 6.038 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.133 -6.030 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.317 -5.329 4.456 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -11.722 -6.605 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.842 -5.760 1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.984 -7.482 2.180 1.00 0.00 H new ATOM 204 N HIS A 13 -13.359 -2.851 2.963 1.00 0.00 N ATOM 205 CA HIS A 13 -12.526 -2.226 1.943 1.00 0.00 C ATOM 206 C HIS A 13 -11.860 -0.976 2.496 1.00 0.00 C ATOM 207 O HIS A 13 -10.786 -0.586 2.047 1.00 0.00 O ATOM 208 CB HIS A 13 -13.350 -1.858 0.712 1.00 0.00 C ATOM 209 CG HIS A 13 -14.066 -3.009 0.088 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.599 -4.305 0.122 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.228 -3.046 -0.600 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.444 -5.092 -0.520 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.442 -4.351 -0.966 1.00 0.00 N ATOM 0 H HIS A 13 -14.353 -2.893 2.736 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.762 -2.946 1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.080 -1.099 0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.691 -1.408 -0.031 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -12.736 -4.609 0.572 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.869 -2.205 -0.821 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.337 -6.158 -0.657 1.00 0.00 H new ATOM 222 N ALA A 14 -12.508 -0.349 3.474 1.00 0.00 N ATOM 223 CA ALA A 14 -11.974 0.859 4.089 1.00 0.00 C ATOM 224 C ALA A 14 -10.730 0.532 4.897 1.00 0.00 C ATOM 225 O ALA A 14 -9.663 1.099 4.669 1.00 0.00 O ATOM 226 CB ALA A 14 -13.026 1.519 4.968 1.00 0.00 C ATOM 0 H ALA A 14 -13.402 -0.658 3.856 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.700 1.560 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.610 2.420 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.892 1.784 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.330 0.827 5.753 1.00 0.00 H new ATOM 232 N LYS A 15 -10.868 -0.403 5.829 1.00 0.00 N ATOM 233 CA LYS A 15 -9.740 -0.820 6.649 1.00 0.00 C ATOM 234 C LYS A 15 -8.650 -1.433 5.774 1.00 0.00 C ATOM 235 O LYS A 15 -7.493 -1.530 6.183 1.00 0.00 O ATOM 236 CB LYS A 15 -10.193 -1.826 7.709 1.00 0.00 C ATOM 237 CG LYS A 15 -9.898 -1.384 9.133 1.00 0.00 C ATOM 238 CD LYS A 15 -10.940 -1.909 10.107 1.00 0.00 C ATOM 239 CE LYS A 15 -10.914 -1.141 11.418 1.00 0.00 C ATOM 240 NZ LYS A 15 -11.498 -1.931 12.537 1.00 0.00 N ATOM 0 H LYS A 15 -11.744 -0.883 6.034 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.335 0.057 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.265 -1.994 7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.702 -2.781 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.911 -1.740 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.872 -0.295 9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.930 -1.832 9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.759 -2.966 10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.886 -0.873 11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.468 -0.209 11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.461 -1.372 13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.487 -2.166 12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.954 -2.808 12.663 1.00 0.00 H new ATOM 254 N GLU A 16 -9.029 -1.846 4.563 1.00 0.00 N ATOM 255 CA GLU A 16 -8.087 -2.448 3.631 1.00 0.00 C ATOM 256 C GLU A 16 -7.248 -1.381 2.935 1.00 0.00 C ATOM 257 O GLU A 16 -6.060 -1.583 2.694 1.00 0.00 O ATOM 258 CB GLU A 16 -8.832 -3.287 2.590 1.00 0.00 C ATOM 259 CG GLU A 16 -9.259 -4.652 3.103 1.00 0.00 C ATOM 260 CD GLU A 16 -8.105 -5.631 3.187 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.315 -5.535 4.150 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.991 -6.492 2.290 1.00 0.00 O ATOM 0 H GLU A 16 -9.983 -1.772 4.209 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.418 -3.095 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.715 -2.740 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.193 -3.420 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.709 -4.541 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.028 -5.058 2.446 1.00 0.00 H new ATOM 269 N ILE A 17 -7.865 -0.247 2.608 1.00 0.00 N ATOM 270 CA ILE A 17 -7.146 0.832 1.940 1.00 0.00 C ATOM 271 C ILE A 17 -6.205 1.548 2.909 1.00 0.00 C ATOM 272 O ILE A 17 -5.120 1.989 2.527 1.00 0.00 O ATOM 273 CB ILE A 17 -8.124 1.841 1.285 1.00 0.00 C ATOM 274 CG1 ILE A 17 -8.669 2.853 2.303 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.272 1.098 0.628 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.920 4.169 2.307 1.00 0.00 C ATOM 0 H ILE A 17 -8.849 -0.054 2.793 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.545 0.384 1.149 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.568 2.398 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.720 3.043 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.622 2.415 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.954 1.814 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.881 0.429 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.807 0.517 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.359 4.835 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.873 3.991 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.988 4.629 1.321 1.00 0.00 H new ATOM 288 N GLU A 18 -6.627 1.654 4.165 1.00 0.00 N ATOM 289 CA GLU A 18 -5.822 2.309 5.188 1.00 0.00 C ATOM 290 C GLU A 18 -4.691 1.396 5.649 1.00 0.00 C ATOM 291 O GLU A 18 -3.587 1.857 5.941 1.00 0.00 O ATOM 292 CB GLU A 18 -6.695 2.703 6.381 1.00 0.00 C ATOM 293 CG GLU A 18 -6.313 4.037 7.001 1.00 0.00 C ATOM 294 CD GLU A 18 -7.517 4.828 7.472 1.00 0.00 C ATOM 295 OE1 GLU A 18 -8.304 5.279 6.612 1.00 0.00 O ATOM 296 OE2 GLU A 18 -7.673 4.997 8.699 1.00 0.00 O ATOM 0 H GLU A 18 -7.522 1.295 4.498 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.387 3.210 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.736 2.746 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.628 1.926 7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.645 3.863 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.758 4.627 6.271 1.00 0.00 H new ATOM 303 N ARG A 19 -4.973 0.099 5.710 1.00 0.00 N ATOM 304 CA ARG A 19 -3.977 -0.878 6.131 1.00 0.00 C ATOM 305 C ARG A 19 -2.925 -1.074 5.046 1.00 0.00 C ATOM 306 O ARG A 19 -1.756 -1.325 5.339 1.00 0.00 O ATOM 307 CB ARG A 19 -4.647 -2.214 6.458 1.00 0.00 C ATOM 308 CG ARG A 19 -3.710 -3.222 7.102 1.00 0.00 C ATOM 309 CD ARG A 19 -4.477 -4.387 7.708 1.00 0.00 C ATOM 310 NE ARG A 19 -5.178 -4.004 8.931 1.00 0.00 N ATOM 311 CZ ARG A 19 -5.732 -4.877 9.766 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.666 -6.176 9.509 1.00 0.00 N ATOM 313 NH2 ARG A 19 -6.353 -4.451 10.857 1.00 0.00 N ATOM 0 H ARG A 19 -5.882 -0.299 5.474 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.486 -0.500 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.489 -2.035 7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.053 -2.642 5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.008 -3.596 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.121 -2.730 7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.196 -4.765 6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.786 -5.202 7.926 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.246 -3.012 9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.190 -6.506 8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.092 -6.845 10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.406 -3.452 11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.778 -5.122 11.497 1.00 0.00 H new ATOM 327 N LEU A 20 -3.345 -0.949 3.792 1.00 0.00 N ATOM 328 CA LEU A 20 -2.435 -1.105 2.668 1.00 0.00 C ATOM 329 C LEU A 20 -1.475 0.075 2.598 1.00 0.00 C ATOM 330 O LEU A 20 -0.285 -0.093 2.333 1.00 0.00 O ATOM 331 CB LEU A 20 -3.218 -1.226 1.360 1.00 0.00 C ATOM 332 CG LEU A 20 -3.994 -2.533 1.189 1.00 0.00 C ATOM 333 CD1 LEU A 20 -5.191 -2.327 0.274 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.085 -3.623 0.643 1.00 0.00 C ATOM 0 H LEU A 20 -4.309 -0.740 3.530 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.858 -2.018 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.919 -0.394 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.523 -1.122 0.527 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.360 -2.847 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.731 -3.267 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.854 -1.576 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.848 -1.989 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.653 -4.546 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.690 -3.316 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.260 -3.789 1.335 1.00 0.00 H new ATOM 346 N GLN A 21 -2.002 1.271 2.845 1.00 0.00 N ATOM 347 CA GLN A 21 -1.191 2.482 2.819 1.00 0.00 C ATOM 348 C GLN A 21 -0.108 2.427 3.890 1.00 0.00 C ATOM 349 O GLN A 21 1.041 2.796 3.647 1.00 0.00 O ATOM 350 CB GLN A 21 -2.071 3.716 3.028 1.00 0.00 C ATOM 351 CG GLN A 21 -1.663 4.905 2.175 1.00 0.00 C ATOM 352 CD GLN A 21 -0.589 5.752 2.829 1.00 0.00 C ATOM 353 OE1 GLN A 21 -0.882 6.769 3.459 1.00 0.00 O ATOM 354 NE2 GLN A 21 0.663 5.336 2.684 1.00 0.00 N ATOM 0 H GLN A 21 -2.986 1.426 3.065 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.711 2.551 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.106 3.456 2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.035 4.004 4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.302 4.548 1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.539 5.524 1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.860 4.487 2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.428 5.865 3.103 1.00 0.00 H new ATOM 363 N LYS A 22 -0.480 1.958 5.077 1.00 0.00 N ATOM 364 CA LYS A 22 0.464 1.851 6.182 1.00 0.00 C ATOM 365 C LYS A 22 1.573 0.860 5.847 1.00 0.00 C ATOM 366 O LYS A 22 2.729 1.056 6.222 1.00 0.00 O ATOM 367 CB LYS A 22 -0.259 1.414 7.459 1.00 0.00 C ATOM 368 CG LYS A 22 -1.078 2.521 8.102 1.00 0.00 C ATOM 369 CD LYS A 22 -1.877 2.005 9.287 1.00 0.00 C ATOM 370 CE LYS A 22 -3.346 1.828 8.935 1.00 0.00 C ATOM 371 NZ LYS A 22 -4.238 2.217 10.061 1.00 0.00 N ATOM 0 H LYS A 22 -1.426 1.647 5.297 1.00 0.00 H new ATOM 0 HA LYS A 22 0.911 2.832 6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.916 0.576 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.477 1.053 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.415 3.322 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.756 2.950 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.464 1.052 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.783 2.700 10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.584 2.431 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.532 0.788 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.230 2.082 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.029 1.625 10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.079 3.217 10.300 1.00 0.00 H new ATOM 385 N GLU A 23 1.212 -0.204 5.137 1.00 0.00 N ATOM 386 CA GLU A 23 2.177 -1.226 4.749 1.00 0.00 C ATOM 387 C GLU A 23 3.203 -0.666 3.769 1.00 0.00 C ATOM 388 O GLU A 23 4.392 -0.982 3.849 1.00 0.00 O ATOM 389 CB GLU A 23 1.458 -2.423 4.123 1.00 0.00 C ATOM 390 CG GLU A 23 1.782 -3.747 4.797 1.00 0.00 C ATOM 391 CD GLU A 23 0.912 -4.883 4.295 1.00 0.00 C ATOM 392 OE1 GLU A 23 -0.103 -4.603 3.623 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.246 -6.055 4.574 1.00 0.00 O ATOM 0 H GLU A 23 0.259 -0.381 4.819 1.00 0.00 H new ATOM 0 HA GLU A 23 2.702 -1.553 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.382 -2.255 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.726 -2.486 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.830 -3.992 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.653 -3.644 5.874 1.00 0.00 H new ATOM 400 N ILE A 24 2.741 0.173 2.846 1.00 0.00 N ATOM 401 CA ILE A 24 3.634 0.773 1.859 1.00 0.00 C ATOM 402 C ILE A 24 4.684 1.637 2.558 1.00 0.00 C ATOM 403 O ILE A 24 5.857 1.639 2.183 1.00 0.00 O ATOM 404 CB ILE A 24 2.861 1.593 0.773 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.745 3.082 1.132 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.475 1.010 0.538 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.957 3.889 0.720 1.00 0.00 C ATOM 0 H ILE A 24 1.763 0.451 2.761 1.00 0.00 H new ATOM 0 HA ILE A 24 4.136 -0.039 1.333 1.00 0.00 H new ATOM 0 HB ILE A 24 3.445 1.519 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.859 3.497 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.600 3.180 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.957 1.597 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.567 -0.022 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.907 1.037 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.812 4.932 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.842 3.497 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.090 3.820 -0.360 1.00 0.00 H new ATOM 419 N GLU A 25 4.246 2.365 3.583 1.00 0.00 N ATOM 420 CA GLU A 25 5.139 3.227 4.347 1.00 0.00 C ATOM 421 C GLU A 25 6.237 2.403 5.005 1.00 0.00 C ATOM 422 O GLU A 25 7.403 2.797 5.016 1.00 0.00 O ATOM 423 CB GLU A 25 4.355 4.000 5.408 1.00 0.00 C ATOM 424 CG GLU A 25 4.967 5.347 5.757 1.00 0.00 C ATOM 425 CD GLU A 25 4.031 6.222 6.566 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.973 6.047 7.802 1.00 0.00 O ATOM 427 OE2 GLU A 25 3.354 7.083 5.964 1.00 0.00 O ATOM 0 H GLU A 25 3.277 2.374 3.902 1.00 0.00 H new ATOM 0 HA GLU A 25 5.599 3.940 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.336 4.154 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.290 3.395 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.887 5.189 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.240 5.866 4.838 1.00 0.00 H new ATOM 434 N ARG A 26 5.857 1.250 5.546 1.00 0.00 N ATOM 435 CA ARG A 26 6.814 0.363 6.195 1.00 0.00 C ATOM 436 C ARG A 26 7.943 0.019 5.232 1.00 0.00 C ATOM 437 O ARG A 26 9.121 0.045 5.598 1.00 0.00 O ATOM 438 CB ARG A 26 6.121 -0.915 6.671 1.00 0.00 C ATOM 439 CG ARG A 26 6.748 -1.518 7.918 1.00 0.00 C ATOM 440 CD ARG A 26 6.262 -2.939 8.154 1.00 0.00 C ATOM 441 NE ARG A 26 7.367 -3.862 8.399 1.00 0.00 N ATOM 442 CZ ARG A 26 7.201 -5.144 8.702 1.00 0.00 C ATOM 443 NH1 ARG A 26 5.981 -5.653 8.798 1.00 0.00 N ATOM 444 NH2 ARG A 26 8.256 -5.920 8.910 1.00 0.00 N ATOM 0 H ARG A 26 4.896 0.909 5.548 1.00 0.00 H new ATOM 0 HA ARG A 26 7.231 0.875 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.072 -0.697 6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.146 -1.652 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.833 -1.515 7.819 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.506 -0.901 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.582 -2.953 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.693 -3.276 7.287 1.00 0.00 H new ATOM 0 HE ARG A 26 8.319 -3.502 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.167 -5.060 8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.856 -6.638 9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.197 -5.532 8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.127 -6.905 9.143 1.00 0.00 H new ATOM 458 N HIS A 27 7.578 -0.283 3.990 1.00 0.00 N ATOM 459 CA HIS A 27 8.563 -0.608 2.977 1.00 0.00 C ATOM 460 C HIS A 27 9.414 0.617 2.683 1.00 0.00 C ATOM 461 O HIS A 27 10.586 0.502 2.330 1.00 0.00 O ATOM 462 CB HIS A 27 7.879 -1.094 1.698 1.00 0.00 C ATOM 463 CG HIS A 27 8.341 -2.445 1.249 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.422 -2.632 0.413 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.864 -3.683 1.526 1.00 0.00 C ATOM 466 CE1 HIS A 27 9.589 -3.925 0.194 1.00 0.00 C ATOM 467 NE2 HIS A 27 8.658 -4.583 0.859 1.00 0.00 N ATOM 0 H HIS A 27 6.611 -0.308 3.667 1.00 0.00 H new ATOM 0 HA HIS A 27 9.201 -1.410 3.349 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.802 -1.123 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.062 -0.373 0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.017 -3.918 2.154 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.356 -4.367 -0.424 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.546 -5.597 0.875 1.00 0.00 H new ATOM 476 N LYS A 28 8.809 1.792 2.837 1.00 0.00 N ATOM 477 CA LYS A 28 9.499 3.052 2.598 1.00 0.00 C ATOM 478 C LYS A 28 10.585 3.281 3.642 1.00 0.00 C ATOM 479 O LYS A 28 11.563 3.985 3.394 1.00 0.00 O ATOM 480 CB LYS A 28 8.504 4.214 2.617 1.00 0.00 C ATOM 481 CG LYS A 28 9.083 5.519 2.098 1.00 0.00 C ATOM 482 CD LYS A 28 9.300 6.520 3.222 1.00 0.00 C ATOM 483 CE LYS A 28 7.979 7.023 3.780 1.00 0.00 C ATOM 484 NZ LYS A 28 8.134 7.591 5.148 1.00 0.00 N ATOM 0 H LYS A 28 7.837 1.895 3.128 1.00 0.00 H new ATOM 0 HA LYS A 28 9.968 3.001 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.635 3.947 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.152 4.363 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.031 5.323 1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.410 5.946 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.879 6.054 4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.885 7.362 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.570 7.784 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.261 6.204 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.211 7.923 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.500 6.858 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.800 8.389 5.119 1.00 0.00 H new ATOM 498 N GLN A 29 10.405 2.679 4.814 1.00 0.00 N ATOM 499 CA GLN A 29 11.371 2.814 5.897 1.00 0.00 C ATOM 500 C GLN A 29 12.571 1.902 5.666 1.00 0.00 C ATOM 501 O GLN A 29 13.708 2.273 5.952 1.00 0.00 O ATOM 502 CB GLN A 29 10.713 2.484 7.239 1.00 0.00 C ATOM 503 CG GLN A 29 11.584 2.814 8.440 1.00 0.00 C ATOM 504 CD GLN A 29 10.850 2.648 9.755 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.861 1.573 10.354 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.206 3.715 10.212 1.00 0.00 N ATOM 0 H GLN A 29 9.600 2.094 5.037 1.00 0.00 H new ATOM 0 HA GLN A 29 11.719 3.847 5.917 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.775 3.033 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.464 1.423 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.463 2.169 8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.941 3.840 8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.223 4.587 9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.694 3.663 11.093 1.00 0.00 H new ATOM 515 N SER A 30 12.308 0.705 5.151 1.00 0.00 N ATOM 516 CA SER A 30 13.369 -0.261 4.885 1.00 0.00 C ATOM 517 C SER A 30 14.210 0.153 3.679 1.00 0.00 C ATOM 518 O SER A 30 15.406 -0.133 3.616 1.00 0.00 O ATOM 519 CB SER A 30 12.775 -1.652 4.653 1.00 0.00 C ATOM 520 OG SER A 30 11.535 -1.569 3.975 1.00 0.00 O ATOM 0 H SER A 30 11.371 0.381 4.910 1.00 0.00 H new ATOM 0 HA SER A 30 14.019 -0.289 5.759 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.471 -2.256 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.637 -2.156 5.609 1.00 0.00 H new ATOM 0 HG SER A 30 11.550 -0.809 3.357 1.00 0.00 H new ATOM 526 N ILE A 31 13.579 0.829 2.724 1.00 0.00 N ATOM 527 CA ILE A 31 14.269 1.284 1.520 1.00 0.00 C ATOM 528 C ILE A 31 15.010 2.592 1.784 1.00 0.00 C ATOM 529 O ILE A 31 16.030 2.877 1.158 1.00 0.00 O ATOM 530 CB ILE A 31 13.275 1.472 0.353 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.954 2.079 -0.879 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.117 2.350 0.789 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.825 1.105 -1.633 1.00 0.00 C ATOM 0 H ILE A 31 12.590 1.074 2.760 1.00 0.00 H new ATOM 0 HA ILE A 31 14.993 0.518 1.242 1.00 0.00 H new ATOM 0 HB ILE A 31 12.901 0.486 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.188 2.464 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.561 2.929 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.423 2.476 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.600 1.881 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.495 3.325 1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.272 1.606 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.614 0.738 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.220 0.266 -1.977 1.00 0.00 H new ATOM 545 N LYS A 32 14.490 3.378 2.721 1.00 0.00 N ATOM 546 CA LYS A 32 15.105 4.652 3.073 1.00 0.00 C ATOM 547 C LYS A 32 16.268 4.439 4.036 1.00 0.00 C ATOM 548 O LYS A 32 17.201 5.240 4.085 1.00 0.00 O ATOM 549 CB LYS A 32 14.071 5.587 3.702 1.00 0.00 C ATOM 550 CG LYS A 32 13.194 6.298 2.682 1.00 0.00 C ATOM 551 CD LYS A 32 13.337 7.807 2.782 1.00 0.00 C ATOM 552 CE LYS A 32 13.462 8.447 1.409 1.00 0.00 C ATOM 553 NZ LYS A 32 13.927 9.858 1.493 1.00 0.00 N ATOM 0 H LYS A 32 13.646 3.156 3.249 1.00 0.00 H new ATOM 0 HA LYS A 32 15.487 5.110 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.437 5.012 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 32 14.587 6.332 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.464 5.971 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.152 6.019 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.473 8.222 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.215 8.051 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.160 7.870 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.497 8.413 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.999 10.257 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.248 10.415 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.860 9.889 1.952 1.00 0.00 H new ATOM 567 N LYS A 33 16.208 3.350 4.796 1.00 0.00 N ATOM 568 CA LYS A 33 17.259 3.028 5.753 1.00 0.00 C ATOM 569 C LYS A 33 18.421 2.331 5.058 1.00 0.00 C ATOM 570 O LYS A 33 19.585 2.558 5.389 1.00 0.00 O ATOM 571 CB LYS A 33 16.708 2.140 6.870 1.00 0.00 C ATOM 572 CG LYS A 33 17.367 2.380 8.218 1.00 0.00 C ATOM 573 CD LYS A 33 16.400 2.126 9.364 1.00 0.00 C ATOM 574 CE LYS A 33 16.431 0.672 9.807 1.00 0.00 C ATOM 575 NZ LYS A 33 15.419 0.392 10.862 1.00 0.00 N ATOM 0 H LYS A 33 15.443 2.676 4.767 1.00 0.00 H new ATOM 0 HA LYS A 33 17.622 3.959 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.636 2.311 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.841 1.095 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.235 1.728 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.731 3.406 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.655 2.770 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.389 2.392 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.248 0.027 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.425 0.428 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.472 -0.610 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.608 0.989 11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.468 0.600 10.495 1.00 0.00 H new ATOM 589 N LEU A 34 18.097 1.482 4.087 1.00 0.00 N ATOM 590 CA LEU A 34 19.113 0.754 3.338 1.00 0.00 C ATOM 591 C LEU A 34 19.766 1.657 2.298 1.00 0.00 C ATOM 592 O LEU A 34 20.923 1.461 1.928 1.00 0.00 O ATOM 593 CB LEU A 34 18.497 -0.470 2.658 1.00 0.00 C ATOM 594 CG LEU A 34 19.234 -1.787 2.904 1.00 0.00 C ATOM 595 CD1 LEU A 34 18.358 -2.969 2.520 1.00 0.00 C ATOM 596 CD2 LEU A 34 20.542 -1.818 2.128 1.00 0.00 C ATOM 0 H LEU A 34 17.138 1.282 3.801 1.00 0.00 H new ATOM 0 HA LEU A 34 19.880 0.421 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.468 -0.578 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.458 -0.289 1.584 1.00 0.00 H new ATOM 0 HG LEU A 34 19.462 -1.860 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.899 -3.897 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.447 -2.957 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.098 -2.901 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.054 -2.762 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.335 -1.722 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 34 21.176 -0.992 2.450 1.00 0.00 H new ATOM 608 N LYS A 35 19.015 2.650 1.832 1.00 0.00 N ATOM 609 CA LYS A 35 19.522 3.587 0.836 1.00 0.00 C ATOM 610 C LYS A 35 20.360 4.675 1.498 1.00 0.00 C ATOM 611 O LYS A 35 21.330 5.165 0.918 1.00 0.00 O ATOM 612 CB LYS A 35 18.363 4.219 0.061 1.00 0.00 C ATOM 613 CG LYS A 35 18.805 5.276 -0.938 1.00 0.00 C ATOM 614 CD LYS A 35 18.634 6.678 -0.376 1.00 0.00 C ATOM 615 CE LYS A 35 17.176 6.980 -0.066 1.00 0.00 C ATOM 616 NZ LYS A 35 16.745 8.286 -0.637 1.00 0.00 N ATOM 0 H LYS A 35 18.055 2.826 2.128 1.00 0.00 H new ATOM 0 HA LYS A 35 20.154 3.036 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.820 3.435 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.666 4.668 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.850 5.114 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.224 5.177 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.229 6.783 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.013 7.407 -1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.548 6.184 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.029 6.990 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.977 8.682 -0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.550 8.945 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.407 8.145 -1.610 1.00 0.00 H new ATOM 630 N GLN A 36 19.981 5.046 2.716 1.00 0.00 N ATOM 631 CA GLN A 36 20.702 6.074 3.460 1.00 0.00 C ATOM 632 C GLN A 36 21.979 5.506 4.066 1.00 0.00 C ATOM 633 O GLN A 36 22.953 6.229 4.279 1.00 0.00 O ATOM 634 CB GLN A 36 19.812 6.654 4.561 1.00 0.00 C ATOM 635 CG GLN A 36 20.419 7.860 5.261 1.00 0.00 C ATOM 636 CD GLN A 36 21.396 7.468 6.354 1.00 0.00 C ATOM 637 OE1 GLN A 36 21.030 6.796 7.318 1.00 0.00 O ATOM 638 NE2 GLN A 36 22.646 7.890 6.208 1.00 0.00 N ATOM 0 H GLN A 36 19.180 4.651 3.209 1.00 0.00 H new ATOM 0 HA GLN A 36 20.973 6.870 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.853 6.940 4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.610 5.879 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.931 8.482 4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.621 8.466 5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 36 22.905 8.445 5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 36 23.348 7.659 6.911 1.00 0.00 H new ATOM 647 N SER A 37 21.970 4.205 4.341 1.00 0.00 N ATOM 648 CA SER A 37 23.130 3.539 4.921 1.00 0.00 C ATOM 649 C SER A 37 24.196 3.286 3.861 1.00 0.00 C ATOM 650 O SER A 37 25.384 3.188 4.171 1.00 0.00 O ATOM 651 CB SER A 37 22.713 2.216 5.568 1.00 0.00 C ATOM 652 OG SER A 37 23.742 1.710 6.400 1.00 0.00 O ATOM 0 H SER A 37 21.173 3.592 4.171 1.00 0.00 H new ATOM 0 HA SER A 37 23.550 4.193 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.806 2.364 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.476 1.487 4.793 1.00 0.00 H new ATOM 0 HG SER A 37 23.451 0.865 6.803 1.00 0.00 H new ATOM 658 N GLU A 38 23.764 3.184 2.607 1.00 0.00 N ATOM 659 CA GLU A 38 24.682 2.944 1.500 1.00 0.00 C ATOM 660 C GLU A 38 25.481 4.203 1.175 1.00 0.00 C ATOM 661 O GLU A 38 26.612 4.125 0.694 1.00 0.00 O ATOM 662 CB GLU A 38 23.912 2.481 0.262 1.00 0.00 C ATOM 663 CG GLU A 38 24.704 1.538 -0.630 1.00 0.00 C ATOM 664 CD GLU A 38 24.140 1.454 -2.034 1.00 0.00 C ATOM 665 OE1 GLU A 38 22.944 1.122 -2.174 1.00 0.00 O ATOM 666 OE2 GLU A 38 24.893 1.720 -2.994 1.00 0.00 O ATOM 0 H GLU A 38 22.785 3.264 2.333 1.00 0.00 H new ATOM 0 HA GLU A 38 25.377 2.160 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.996 1.984 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.616 3.354 -0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.740 1.873 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.711 0.543 -0.185 1.00 0.00 H new ATOM 673 N ASP A 39 24.886 5.360 1.442 1.00 0.00 N ATOM 674 CA ASP A 39 25.543 6.636 1.179 1.00 0.00 C ATOM 675 C ASP A 39 26.642 6.903 2.201 1.00 0.00 C ATOM 676 O ASP A 39 27.596 7.631 1.926 1.00 0.00 O ATOM 677 CB ASP A 39 24.521 7.774 1.203 1.00 0.00 C ATOM 678 CG ASP A 39 25.153 9.123 0.924 1.00 0.00 C ATOM 679 OD1 ASP A 39 25.826 9.661 1.828 1.00 0.00 O ATOM 680 OD2 ASP A 39 24.974 9.642 -0.198 1.00 0.00 O ATOM 0 H ASP A 39 23.950 5.441 1.840 1.00 0.00 H new ATOM 0 HA ASP A 39 25.997 6.585 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 39 23.746 7.579 0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.032 7.799 2.177 1.00 0.00 H new ATOM 685 N ASP A 40 26.503 6.309 3.382 1.00 0.00 N ATOM 686 CA ASP A 40 27.485 6.482 4.446 1.00 0.00 C ATOM 687 C ASP A 40 27.174 5.570 5.628 1.00 0.00 C ATOM 688 O ASP A 40 26.039 5.124 5.798 1.00 0.00 O ATOM 689 CB ASP A 40 27.516 7.940 4.907 1.00 0.00 C ATOM 690 CG ASP A 40 28.928 8.481 5.023 1.00 0.00 C ATOM 691 OD1 ASP A 40 29.694 8.353 4.045 1.00 0.00 O ATOM 692 OD2 ASP A 40 29.267 9.031 6.091 1.00 0.00 O ATOM 0 H ASP A 40 25.719 5.703 3.626 1.00 0.00 H new ATOM 0 HA ASP A 40 28.464 6.212 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 40 26.952 8.552 4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 40 27.018 8.023 5.873 1.00 0.00 H new ATOM 697 N ASP A 41 28.189 5.296 6.440 1.00 0.00 N ATOM 698 CA ASP A 41 28.023 4.437 7.607 1.00 0.00 C ATOM 699 C ASP A 41 26.841 4.893 8.456 1.00 0.00 C ATOM 700 O ASP A 41 26.326 6.002 8.204 1.00 0.00 O ATOM 701 CB ASP A 41 29.300 4.434 8.449 1.00 0.00 C ATOM 702 CG ASP A 41 30.125 3.179 8.246 1.00 0.00 C ATOM 703 OD1 ASP A 41 29.567 2.174 7.756 1.00 0.00 O ATOM 704 OD2 ASP A 41 31.329 3.199 8.575 1.00 0.00 O ATOM 705 OXT ASP A 41 26.439 4.136 9.365 1.00 0.00 O ATOM 0 H ASP A 41 29.135 5.656 6.312 1.00 0.00 H new ATOM 0 HA ASP A 41 27.825 3.424 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 41 29.902 5.306 8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 41 29.037 4.526 9.503 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 35.703 -7.778 -3.174 1.00 0.00 N ATOM 712 CA ALA B 1 34.586 -8.122 -2.256 1.00 0.00 C ATOM 713 C ALA B 1 33.689 -6.913 -2.009 1.00 0.00 C ATOM 714 O ALA B 1 33.328 -6.618 -0.870 1.00 0.00 O ATOM 715 CB ALA B 1 35.130 -8.651 -0.938 1.00 0.00 C ATOM 0 H1 ALA B 1 36.327 -8.603 -3.286 1.00 0.00 H new ATOM 0 H2 ALA B 1 35.319 -7.506 -4.101 1.00 0.00 H new ATOM 0 H3 ALA B 1 36.246 -6.984 -2.778 1.00 0.00 H new ATOM 0 HA ALA B 1 33.986 -8.900 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA B 1 34.301 -8.899 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA B 1 35.726 -9.544 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA B 1 35.753 -7.889 -0.470 1.00 0.00 H new ATOM 723 N LEU B 2 33.331 -6.219 -3.084 1.00 0.00 N ATOM 724 CA LEU B 2 32.476 -5.042 -2.985 1.00 0.00 C ATOM 725 C LEU B 2 31.097 -5.416 -2.452 1.00 0.00 C ATOM 726 O LEU B 2 30.850 -6.567 -2.091 1.00 0.00 O ATOM 727 CB LEU B 2 32.341 -4.366 -4.351 1.00 0.00 C ATOM 728 CG LEU B 2 33.663 -3.977 -5.014 1.00 0.00 C ATOM 729 CD1 LEU B 2 33.981 -4.919 -6.165 1.00 0.00 C ATOM 730 CD2 LEU B 2 33.611 -2.537 -5.499 1.00 0.00 C ATOM 0 H LEU B 2 33.620 -6.451 -4.034 1.00 0.00 H new ATOM 0 HA LEU B 2 32.940 -4.345 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU B 2 31.800 -5.036 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU B 2 31.732 -3.470 -4.237 1.00 0.00 H new ATOM 0 HG LEU B 2 34.458 -4.062 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU B 2 34.925 -4.626 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU B 2 34.061 -5.939 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU B 2 33.185 -4.868 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU B 2 34.560 -2.277 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU B 2 32.805 -2.426 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU B 2 33.431 -1.874 -4.653 1.00 0.00 H new ATOM 742 N LYS B 3 30.200 -4.435 -2.404 1.00 0.00 N ATOM 743 CA LYS B 3 28.845 -4.661 -1.915 1.00 0.00 C ATOM 744 C LYS B 3 27.816 -4.320 -2.987 1.00 0.00 C ATOM 745 O LYS B 3 27.102 -3.323 -2.881 1.00 0.00 O ATOM 746 CB LYS B 3 28.587 -3.826 -0.659 1.00 0.00 C ATOM 747 CG LYS B 3 29.145 -4.448 0.610 1.00 0.00 C ATOM 748 CD LYS B 3 30.615 -4.112 0.797 1.00 0.00 C ATOM 749 CE LYS B 3 31.042 -4.263 2.248 1.00 0.00 C ATOM 750 NZ LYS B 3 32.109 -5.289 2.409 1.00 0.00 N ATOM 0 H LYS B 3 30.388 -3.476 -2.698 1.00 0.00 H new ATOM 0 HA LYS B 3 28.747 -5.718 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS B 3 29.027 -2.838 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS B 3 27.513 -3.683 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS B 3 28.578 -4.093 1.470 1.00 0.00 H new ATOM 0 HG3 LYS B 3 29.020 -5.530 0.571 1.00 0.00 H new ATOM 0 HD2 LYS B 3 31.221 -4.765 0.169 1.00 0.00 H new ATOM 0 HD3 LYS B 3 30.800 -3.090 0.467 1.00 0.00 H new ATOM 0 HE2 LYS B 3 31.401 -3.304 2.622 1.00 0.00 H new ATOM 0 HE3 LYS B 3 30.179 -4.539 2.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 32.372 -5.362 3.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 31.759 -6.210 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 32.943 -5.013 1.852 1.00 0.00 H new ATOM 764 N LYS B 4 27.745 -5.154 -4.020 1.00 0.00 N ATOM 765 CA LYS B 4 26.803 -4.941 -5.112 1.00 0.00 C ATOM 766 C LYS B 4 25.434 -5.523 -4.771 1.00 0.00 C ATOM 767 O LYS B 4 24.402 -4.932 -5.084 1.00 0.00 O ATOM 768 CB LYS B 4 27.332 -5.571 -6.401 1.00 0.00 C ATOM 769 CG LYS B 4 27.515 -4.575 -7.534 1.00 0.00 C ATOM 770 CD LYS B 4 28.838 -3.835 -7.417 1.00 0.00 C ATOM 771 CE LYS B 4 29.219 -3.165 -8.727 1.00 0.00 C ATOM 772 NZ LYS B 4 30.653 -3.384 -9.066 1.00 0.00 N ATOM 0 H LYS B 4 28.329 -5.984 -4.123 1.00 0.00 H new ATOM 0 HA LYS B 4 26.694 -3.867 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS B 4 28.287 -6.053 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.644 -6.352 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS B 4 27.472 -5.098 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS B 4 26.694 -3.858 -7.526 1.00 0.00 H new ATOM 0 HD2 LYS B 4 28.768 -3.084 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS B 4 29.622 -4.533 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS B 4 28.593 -3.554 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS B 4 29.021 -2.095 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 30.873 -2.911 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 31.252 -2.990 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 30.837 -4.404 -9.156 1.00 0.00 H new ATOM 786 N HIS B 5 25.436 -6.686 -4.127 1.00 0.00 N ATOM 787 CA HIS B 5 24.194 -7.349 -3.744 1.00 0.00 C ATOM 788 C HIS B 5 23.273 -6.389 -2.998 1.00 0.00 C ATOM 789 O HIS B 5 22.050 -6.485 -3.095 1.00 0.00 O ATOM 790 CB HIS B 5 24.492 -8.571 -2.873 1.00 0.00 C ATOM 791 CG HIS B 5 25.247 -8.244 -1.622 1.00 0.00 C ATOM 792 ND1 HIS B 5 26.606 -8.443 -1.489 1.00 0.00 N ATOM 793 CD2 HIS B 5 24.828 -7.727 -0.443 1.00 0.00 C ATOM 794 CE1 HIS B 5 26.988 -8.064 -0.282 1.00 0.00 C ATOM 795 NE2 HIS B 5 25.929 -7.626 0.371 1.00 0.00 N ATOM 0 H HIS B 5 26.283 -7.188 -3.860 1.00 0.00 H new ATOM 0 HA HIS B 5 23.689 -7.675 -4.653 1.00 0.00 H new ATOM 0 HB2 HIS B 5 23.552 -9.054 -2.605 1.00 0.00 H new ATOM 0 HB3 HIS B 5 25.066 -9.292 -3.456 1.00 0.00 H new ATOM 0 HD2 HIS B 5 23.816 -7.446 -0.190 1.00 0.00 H new ATOM 0 HE1 HIS B 5 27.996 -8.106 0.104 1.00 0.00 H new ATOM 0 HE2 HIS B 5 25.928 -7.270 1.327 1.00 0.00 H new ATOM 804 N HIS B 6 23.870 -5.464 -2.254 1.00 0.00 N ATOM 805 CA HIS B 6 23.102 -4.486 -1.491 1.00 0.00 C ATOM 806 C HIS B 6 22.298 -3.583 -2.420 1.00 0.00 C ATOM 807 O HIS B 6 21.078 -3.476 -2.293 1.00 0.00 O ATOM 808 CB HIS B 6 24.032 -3.644 -0.617 1.00 0.00 C ATOM 809 CG HIS B 6 23.761 -3.776 0.848 1.00 0.00 C ATOM 810 ND1 HIS B 6 23.400 -4.968 1.443 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.799 -2.859 1.843 1.00 0.00 C ATOM 812 CE1 HIS B 6 23.228 -4.777 2.738 1.00 0.00 C ATOM 813 NE2 HIS B 6 23.465 -3.506 3.007 1.00 0.00 N ATOM 0 H HIS B 6 24.882 -5.371 -2.163 1.00 0.00 H new ATOM 0 HA HIS B 6 22.407 -5.027 -0.849 1.00 0.00 H new ATOM 0 HB2 HIS B 6 25.064 -3.934 -0.814 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.935 -2.597 -0.903 1.00 0.00 H new ATOM 0 HD2 HIS B 6 24.046 -1.813 1.740 1.00 0.00 H new ATOM 0 HE1 HIS B 6 22.942 -5.532 3.455 1.00 0.00 H new ATOM 0 HE2 HIS B 6 23.409 -3.075 3.930 1.00 0.00 H new ATOM 822 N GLU B 7 22.989 -2.936 -3.353 1.00 0.00 N ATOM 823 CA GLU B 7 22.335 -2.044 -4.303 1.00 0.00 C ATOM 824 C GLU B 7 21.161 -2.741 -4.982 1.00 0.00 C ATOM 825 O GLU B 7 20.224 -2.091 -5.444 1.00 0.00 O ATOM 826 CB GLU B 7 23.337 -1.562 -5.355 1.00 0.00 C ATOM 827 CG GLU B 7 23.014 -0.187 -5.916 1.00 0.00 C ATOM 828 CD GLU B 7 24.129 0.364 -6.784 1.00 0.00 C ATOM 829 OE1 GLU B 7 25.291 -0.050 -6.591 1.00 0.00 O ATOM 830 OE2 GLU B 7 23.839 1.210 -7.656 1.00 0.00 O ATOM 0 H GLU B 7 23.999 -3.013 -3.471 1.00 0.00 H new ATOM 0 HA GLU B 7 21.954 -1.183 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU B 7 24.333 -1.540 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU B 7 23.367 -2.282 -6.173 1.00 0.00 H new ATOM 0 HG2 GLU B 7 22.097 -0.244 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU B 7 22.825 0.502 -5.093 1.00 0.00 H new ATOM 837 N ASN B 8 21.214 -4.068 -5.032 1.00 0.00 N ATOM 838 CA ASN B 8 20.149 -4.850 -5.648 1.00 0.00 C ATOM 839 C ASN B 8 18.902 -4.824 -4.775 1.00 0.00 C ATOM 840 O ASN B 8 17.841 -4.372 -5.205 1.00 0.00 O ATOM 841 CB ASN B 8 20.604 -6.293 -5.871 1.00 0.00 C ATOM 842 CG ASN B 8 21.093 -6.533 -7.286 1.00 0.00 C ATOM 843 OD1 ASN B 8 21.640 -5.636 -7.927 1.00 0.00 O ATOM 844 ND2 ASN B 8 20.897 -7.749 -7.782 1.00 0.00 N ATOM 0 H ASN B 8 21.982 -4.623 -4.654 1.00 0.00 H new ATOM 0 HA ASN B 8 19.911 -4.406 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN B 8 21.402 -6.532 -5.168 1.00 0.00 H new ATOM 0 HB3 ASN B 8 19.777 -6.969 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN B 8 21.204 -7.969 -8.729 1.00 0.00 H new ATOM 0 HD22 ASN B 8 20.439 -8.463 -7.216 1.00 0.00 H new ATOM 851 N GLU B 9 19.041 -5.294 -3.540 1.00 0.00 N ATOM 852 CA GLU B 9 17.927 -5.304 -2.603 1.00 0.00 C ATOM 853 C GLU B 9 17.356 -3.897 -2.443 1.00 0.00 C ATOM 854 O GLU B 9 16.206 -3.725 -2.039 1.00 0.00 O ATOM 855 CB GLU B 9 18.376 -5.845 -1.246 1.00 0.00 C ATOM 856 CG GLU B 9 18.212 -7.350 -1.106 1.00 0.00 C ATOM 857 CD GLU B 9 18.893 -8.116 -2.224 1.00 0.00 C ATOM 858 OE1 GLU B 9 18.533 -7.895 -3.399 1.00 0.00 O ATOM 859 OE2 GLU B 9 19.785 -8.937 -1.925 1.00 0.00 O ATOM 0 H GLU B 9 19.912 -5.672 -3.167 1.00 0.00 H new ATOM 0 HA GLU B 9 17.149 -5.956 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.423 -5.586 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU B 9 17.805 -5.351 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU B 9 18.623 -7.669 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU B 9 17.150 -7.597 -1.095 1.00 0.00 H new ATOM 866 N ILE B 10 18.170 -2.893 -2.762 1.00 0.00 N ATOM 867 CA ILE B 10 17.753 -1.504 -2.658 1.00 0.00 C ATOM 868 C ILE B 10 16.722 -1.167 -3.742 1.00 0.00 C ATOM 869 O ILE B 10 15.636 -0.672 -3.448 1.00 0.00 O ATOM 870 CB ILE B 10 18.999 -0.557 -2.713 1.00 0.00 C ATOM 871 CG1 ILE B 10 19.056 0.312 -1.457 1.00 0.00 C ATOM 872 CG2 ILE B 10 19.046 0.322 -3.966 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.291 0.067 -0.618 1.00 0.00 C ATOM 0 H ILE B 10 19.125 -3.021 -3.096 1.00 0.00 H new ATOM 0 HA ILE B 10 17.267 -1.349 -1.695 1.00 0.00 H new ATOM 0 HB ILE B 10 19.875 -1.204 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE B 10 19.025 1.362 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.170 0.122 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.935 0.951 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE B 10 19.079 -0.310 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE B 10 18.157 0.952 -4.002 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.270 0.715 0.258 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.313 -0.975 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE B 10 21.181 0.284 -1.209 1.00 0.00 H new ATOM 885 N SER B 11 17.076 -1.441 -4.993 1.00 0.00 N ATOM 886 CA SER B 11 16.184 -1.165 -6.113 1.00 0.00 C ATOM 887 C SER B 11 14.893 -1.967 -5.993 1.00 0.00 C ATOM 888 O SER B 11 13.858 -1.579 -6.537 1.00 0.00 O ATOM 889 CB SER B 11 16.878 -1.490 -7.437 1.00 0.00 C ATOM 890 OG SER B 11 16.479 -0.591 -8.457 1.00 0.00 O ATOM 0 H SER B 11 17.971 -1.853 -5.256 1.00 0.00 H new ATOM 0 HA SER B 11 15.934 -0.104 -6.092 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.959 -1.440 -7.306 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.640 -2.511 -7.735 1.00 0.00 H new ATOM 0 HG SER B 11 16.938 -0.819 -9.292 1.00 0.00 H new ATOM 896 N HIS B 12 14.959 -3.085 -5.279 1.00 0.00 N ATOM 897 CA HIS B 12 13.794 -3.937 -5.092 1.00 0.00 C ATOM 898 C HIS B 12 12.829 -3.309 -4.081 1.00 0.00 C ATOM 899 O HIS B 12 11.624 -3.243 -4.323 1.00 0.00 O ATOM 900 CB HIS B 12 14.251 -5.357 -4.679 1.00 0.00 C ATOM 901 CG HIS B 12 13.535 -5.965 -3.506 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.281 -6.532 -3.596 1.00 0.00 N ATOM 903 CD2 HIS B 12 13.912 -6.092 -2.213 1.00 0.00 C ATOM 904 CE1 HIS B 12 11.916 -6.981 -2.407 1.00 0.00 C ATOM 905 NE2 HIS B 12 12.888 -6.726 -1.552 1.00 0.00 N ATOM 0 H HIS B 12 15.806 -3.421 -4.821 1.00 0.00 H new ATOM 0 HA HIS B 12 13.246 -4.029 -6.030 1.00 0.00 H new ATOM 0 HB2 HIS B 12 14.130 -6.019 -5.536 1.00 0.00 H new ATOM 0 HB3 HIS B 12 15.316 -5.322 -4.451 1.00 0.00 H new ATOM 0 HD1 HIS B 12 11.722 -6.595 -4.447 1.00 0.00 H new ATOM 0 HD2 HIS B 12 14.844 -5.758 -1.781 1.00 0.00 H new ATOM 0 HE1 HIS B 12 10.982 -7.472 -2.175 1.00 0.00 H new ATOM 914 N HIS B 13 13.361 -2.843 -2.954 1.00 0.00 N ATOM 915 CA HIS B 13 12.528 -2.219 -1.933 1.00 0.00 C ATOM 916 C HIS B 13 11.862 -0.968 -2.487 1.00 0.00 C ATOM 917 O HIS B 13 10.785 -0.580 -2.040 1.00 0.00 O ATOM 918 CB HIS B 13 13.350 -1.854 -0.698 1.00 0.00 C ATOM 919 CG HIS B 13 14.066 -3.007 -0.077 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.597 -4.304 -0.114 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.229 -3.046 0.608 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.444 -5.092 0.526 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.442 -4.353 0.972 1.00 0.00 N ATOM 0 H HIS B 13 14.355 -2.885 -2.727 1.00 0.00 H new ATOM 0 HA HIS B 13 11.764 -2.939 -1.642 1.00 0.00 H new ATOM 0 HB2 HIS B 13 14.080 -1.093 -0.973 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.689 -1.408 0.045 1.00 0.00 H new ATOM 0 HD1 HIS B 13 12.733 -4.607 -0.564 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.872 -2.206 0.828 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.337 -6.158 0.661 1.00 0.00 H new ATOM 932 N ALA B 14 12.510 -0.339 -3.463 1.00 0.00 N ATOM 933 CA ALA B 14 11.976 0.869 -4.079 1.00 0.00 C ATOM 934 C ALA B 14 10.732 0.541 -4.887 1.00 0.00 C ATOM 935 O ALA B 14 9.663 1.107 -4.658 1.00 0.00 O ATOM 936 CB ALA B 14 13.027 1.529 -4.957 1.00 0.00 C ATOM 0 H ALA B 14 13.405 -0.646 -3.843 1.00 0.00 H new ATOM 0 HA ALA B 14 11.702 1.570 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.611 2.429 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.893 1.794 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.332 0.837 -5.742 1.00 0.00 H new ATOM 942 N LYS B 15 10.871 -0.393 -5.821 1.00 0.00 N ATOM 943 CA LYS B 15 9.745 -0.809 -6.644 1.00 0.00 C ATOM 944 C LYS B 15 8.653 -1.423 -5.771 1.00 0.00 C ATOM 945 O LYS B 15 7.497 -1.519 -6.182 1.00 0.00 O ATOM 946 CB LYS B 15 10.199 -1.813 -7.703 1.00 0.00 C ATOM 947 CG LYS B 15 9.902 -1.371 -9.127 1.00 0.00 C ATOM 948 CD LYS B 15 10.944 -1.897 -10.102 1.00 0.00 C ATOM 949 CE LYS B 15 10.917 -1.127 -11.412 1.00 0.00 C ATOM 950 NZ LYS B 15 11.500 -1.918 -12.532 1.00 0.00 N ATOM 0 H LYS B 15 11.747 -0.873 -6.025 1.00 0.00 H new ATOM 0 HA LYS B 15 9.341 0.069 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.271 -1.978 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.710 -2.769 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.915 -1.727 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS B 15 9.876 -0.282 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS B 15 11.935 -1.821 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS B 15 10.762 -2.954 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS B 15 9.889 -0.858 -11.654 1.00 0.00 H new ATOM 0 HE3 LYS B 15 11.472 -0.196 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 11.463 -1.359 -13.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 12.489 -2.153 -12.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 10.955 -2.795 -12.658 1.00 0.00 H new ATOM 964 N GLU B 16 9.030 -1.838 -4.560 1.00 0.00 N ATOM 965 CA GLU B 16 8.087 -2.440 -3.630 1.00 0.00 C ATOM 966 C GLU B 16 7.247 -1.376 -2.934 1.00 0.00 C ATOM 967 O GLU B 16 6.058 -1.578 -2.693 1.00 0.00 O ATOM 968 CB GLU B 16 8.829 -3.281 -2.590 1.00 0.00 C ATOM 969 CG GLU B 16 9.257 -4.646 -3.103 1.00 0.00 C ATOM 970 CD GLU B 16 8.102 -5.625 -3.188 1.00 0.00 C ATOM 971 OE1 GLU B 16 7.312 -5.529 -4.152 1.00 0.00 O ATOM 972 OE2 GLU B 16 7.987 -6.487 -2.292 1.00 0.00 O ATOM 0 H GLU B 16 9.984 -1.766 -4.205 1.00 0.00 H new ATOM 0 HA GLU B 16 7.419 -3.085 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.711 -2.735 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.188 -3.414 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.707 -4.535 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU B 16 10.026 -5.053 -2.446 1.00 0.00 H new ATOM 979 N ILE B 17 7.863 -0.240 -2.608 1.00 0.00 N ATOM 980 CA ILE B 17 7.144 0.838 -1.938 1.00 0.00 C ATOM 981 C ILE B 17 6.202 1.554 -2.908 1.00 0.00 C ATOM 982 O ILE B 17 5.116 1.993 -2.526 1.00 0.00 O ATOM 983 CB ILE B 17 8.121 1.849 -1.284 1.00 0.00 C ATOM 984 CG1 ILE B 17 8.661 2.864 -2.301 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.273 1.109 -0.630 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.908 4.176 -2.303 1.00 0.00 C ATOM 0 H ILE B 17 8.847 -0.045 -2.795 1.00 0.00 H new ATOM 0 HA ILE B 17 6.545 0.388 -1.146 1.00 0.00 H new ATOM 0 HB ILE B 17 7.564 2.403 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE B 17 9.712 3.058 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE B 17 8.615 2.426 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.954 1.827 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE B 17 8.886 0.438 0.137 1.00 0.00 H new ATOM 0 HG23 ILE B 17 9.808 0.530 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE B 17 8.344 4.845 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE B 17 6.862 3.995 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE B 17 7.975 4.636 -1.317 1.00 0.00 H new ATOM 998 N GLU B 18 6.625 1.661 -4.163 1.00 0.00 N ATOM 999 CA GLU B 18 5.820 2.316 -5.187 1.00 0.00 C ATOM 1000 C GLU B 18 4.690 1.405 -5.649 1.00 0.00 C ATOM 1001 O GLU B 18 3.586 1.865 -5.940 1.00 0.00 O ATOM 1002 CB GLU B 18 6.694 2.712 -6.378 1.00 0.00 C ATOM 1003 CG GLU B 18 6.313 4.047 -6.996 1.00 0.00 C ATOM 1004 CD GLU B 18 7.518 4.839 -7.465 1.00 0.00 C ATOM 1005 OE1 GLU B 18 8.304 5.287 -6.605 1.00 0.00 O ATOM 1006 OE2 GLU B 18 7.675 5.009 -8.692 1.00 0.00 O ATOM 0 H GLU B 18 7.520 1.303 -4.495 1.00 0.00 H new ATOM 0 HA GLU B 18 5.384 3.216 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.735 2.754 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.627 1.936 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.645 3.875 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU B 18 5.758 4.636 -6.266 1.00 0.00 H new ATOM 1013 N ARG B 19 4.973 0.107 -5.710 1.00 0.00 N ATOM 1014 CA ARG B 19 3.977 -0.870 -6.133 1.00 0.00 C ATOM 1015 C ARG B 19 2.925 -1.067 -5.048 1.00 0.00 C ATOM 1016 O ARG B 19 1.754 -1.318 -5.343 1.00 0.00 O ATOM 1017 CB ARG B 19 4.648 -2.205 -6.460 1.00 0.00 C ATOM 1018 CG ARG B 19 3.711 -3.214 -7.105 1.00 0.00 C ATOM 1019 CD ARG B 19 4.478 -4.377 -7.712 1.00 0.00 C ATOM 1020 NE ARG B 19 5.179 -3.993 -8.933 1.00 0.00 N ATOM 1021 CZ ARG B 19 5.735 -4.865 -9.768 1.00 0.00 C ATOM 1022 NH1 ARG B 19 5.669 -6.165 -9.514 1.00 0.00 N ATOM 1023 NH2 ARG B 19 6.356 -4.439 -10.859 1.00 0.00 N ATOM 0 H ARG B 19 5.882 -0.291 -5.472 1.00 0.00 H new ATOM 0 HA ARG B 19 3.486 -0.492 -7.030 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.490 -2.025 -7.128 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.054 -2.633 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.009 -3.589 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.122 -2.722 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.197 -4.756 -6.985 1.00 0.00 H new ATOM 0 HD3 ARG B 19 3.787 -5.191 -7.931 1.00 0.00 H new ATOM 0 HE ARG B 19 5.246 -3.000 -9.158 1.00 0.00 H new ATOM 0 HH11 ARG B 19 5.191 -6.497 -8.677 1.00 0.00 H new ATOM 0 HH12 ARG B 19 6.096 -6.832 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG B 19 6.408 -3.440 -11.059 1.00 0.00 H new ATOM 0 HH22 ARG B 19 6.782 -5.110 -11.498 1.00 0.00 H new ATOM 1037 N LEU B 20 3.345 -0.943 -3.793 1.00 0.00 N ATOM 1038 CA LEU B 20 2.434 -1.101 -2.670 1.00 0.00 C ATOM 1039 C LEU B 20 1.474 0.079 -2.599 1.00 0.00 C ATOM 1040 O LEU B 20 0.284 -0.091 -2.334 1.00 0.00 O ATOM 1041 CB LEU B 20 3.217 -1.222 -1.362 1.00 0.00 C ATOM 1042 CG LEU B 20 3.993 -2.530 -1.191 1.00 0.00 C ATOM 1043 CD1 LEU B 20 5.189 -2.325 -0.274 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.082 -3.621 -0.646 1.00 0.00 C ATOM 0 H LEU B 20 4.308 -0.734 -3.531 1.00 0.00 H new ATOM 0 HA LEU B 20 1.857 -2.014 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.918 -0.390 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.522 -1.118 -0.529 1.00 0.00 H new ATOM 0 HG LEU B 20 4.360 -2.844 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.729 -3.266 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.852 -1.574 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.844 -1.988 0.704 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.649 -4.545 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.686 -3.314 0.322 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.257 -3.786 -1.339 1.00 0.00 H new ATOM 1056 N GLN B 21 2.000 1.276 -2.845 1.00 0.00 N ATOM 1057 CA GLN B 21 1.189 2.486 -2.816 1.00 0.00 C ATOM 1058 C GLN B 21 0.107 2.432 -3.888 1.00 0.00 C ATOM 1059 O GLN B 21 -1.042 2.801 -3.645 1.00 0.00 O ATOM 1060 CB GLN B 21 2.069 3.721 -3.023 1.00 0.00 C ATOM 1061 CG GLN B 21 1.661 4.909 -2.168 1.00 0.00 C ATOM 1062 CD GLN B 21 0.588 5.757 -2.824 1.00 0.00 C ATOM 1063 OE1 GLN B 21 0.881 6.774 -3.451 1.00 0.00 O ATOM 1064 NE2 GLN B 21 -0.665 5.341 -2.680 1.00 0.00 N ATOM 0 H GLN B 21 2.983 1.432 -3.066 1.00 0.00 H new ATOM 0 HA GLN B 21 0.709 2.553 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.104 3.461 -2.799 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.033 4.010 -4.073 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.298 4.551 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.537 5.527 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -0.863 4.491 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -1.430 5.871 -3.098 1.00 0.00 H new ATOM 1073 N LYS B 22 0.480 1.965 -5.075 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.464 1.858 -6.182 1.00 0.00 C ATOM 1075 C LYS B 22 -1.574 0.868 -5.848 1.00 0.00 C ATOM 1076 O LYS B 22 -2.729 1.064 -6.224 1.00 0.00 O ATOM 1077 CB LYS B 22 0.260 1.424 -7.458 1.00 0.00 C ATOM 1078 CG LYS B 22 1.080 2.532 -8.099 1.00 0.00 C ATOM 1079 CD LYS B 22 1.879 2.017 -9.285 1.00 0.00 C ATOM 1080 CE LYS B 22 3.347 1.839 -8.932 1.00 0.00 C ATOM 1081 NZ LYS B 22 4.241 2.229 -10.058 1.00 0.00 N ATOM 0 H LYS B 22 1.427 1.655 -5.295 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.911 2.838 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS B 22 0.916 0.585 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.475 1.064 -8.178 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.418 3.334 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS B 22 1.758 2.959 -7.360 1.00 0.00 H new ATOM 0 HD2 LYS B 22 1.466 1.065 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS B 22 1.786 2.714 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS B 22 3.585 2.441 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS B 22 3.532 0.799 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 5.233 2.093 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 4.032 1.638 -10.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 4.083 3.229 -10.297 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.213 -0.198 -5.140 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.177 -1.220 -4.753 1.00 0.00 C ATOM 1097 C GLU B 23 -3.204 -0.660 -3.772 1.00 0.00 C ATOM 1098 O GLU B 23 -4.392 -0.977 -3.854 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.458 -2.417 -4.126 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.781 -3.740 -4.801 1.00 0.00 C ATOM 1101 CD GLU B 23 -0.912 -4.877 -4.300 1.00 0.00 C ATOM 1102 OE1 GLU B 23 0.103 -4.597 -3.628 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.245 -6.047 -4.580 1.00 0.00 O ATOM 0 H GLU B 23 -0.260 -0.376 -4.823 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.701 -1.547 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.382 -2.249 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.727 -2.481 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.829 -3.985 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -1.651 -3.635 -5.878 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.743 0.178 -2.847 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.636 0.775 -1.861 1.00 0.00 C ATOM 1112 C ILE B 24 -4.685 1.643 -2.559 1.00 0.00 C ATOM 1113 O ILE B 24 -5.858 1.645 -2.185 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.863 1.595 -0.773 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.748 3.085 -1.129 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.477 1.011 -0.537 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.961 3.890 -0.718 1.00 0.00 C ATOM 0 H ILE B 24 -1.766 0.456 -2.760 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.138 -0.039 -1.338 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.448 1.520 0.144 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.863 3.500 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.601 3.185 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.960 1.597 0.222 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.570 -0.021 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.908 1.038 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.817 4.934 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.845 3.498 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.096 3.819 0.361 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.246 2.372 -3.583 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.137 3.236 -4.346 1.00 0.00 C ATOM 1131 C GLU B 25 -6.235 2.414 -5.009 1.00 0.00 C ATOM 1132 O GLU B 25 -7.400 2.810 -5.022 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.351 4.010 -5.406 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.964 5.357 -5.756 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.027 6.232 -6.563 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.969 6.058 -7.799 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -3.350 7.092 -5.961 1.00 0.00 O ATOM 0 H GLU B 25 -3.277 2.380 -3.902 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.596 3.948 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.333 4.165 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.284 3.405 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.883 5.198 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.239 5.876 -4.838 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.856 1.260 -5.549 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.812 0.376 -6.200 1.00 0.00 C ATOM 1146 C ARG B 26 -7.941 0.030 -5.238 1.00 0.00 C ATOM 1147 O ARG B 26 -9.120 0.054 -5.603 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.120 -0.902 -6.680 1.00 0.00 C ATOM 1149 CG ARG B 26 -6.750 -1.505 -7.924 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.263 -2.925 -8.163 1.00 0.00 C ATOM 1151 NE ARG B 26 -7.367 -3.848 -8.408 1.00 0.00 N ATOM 1152 CZ ARG B 26 -7.201 -5.131 -8.711 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -5.980 -5.639 -8.806 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -8.256 -5.908 -8.920 1.00 0.00 N ATOM 0 H ARG B 26 -4.895 0.917 -5.548 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.228 0.891 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.072 -0.683 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.142 -1.640 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -7.835 -1.504 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -6.512 -0.887 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -5.585 -2.937 -9.016 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -5.693 -3.263 -7.298 1.00 0.00 H new ATOM 0 HE ARG B 26 -8.319 -3.488 -8.343 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -5.167 -5.045 -8.646 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -5.854 -6.624 -9.039 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -9.197 -5.521 -8.848 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -8.126 -6.893 -9.153 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.575 -0.272 -3.996 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.559 -0.599 -2.981 1.00 0.00 C ATOM 1170 C HIS B 27 -9.409 0.624 -2.678 1.00 0.00 C ATOM 1171 O HIS B 27 -10.578 0.509 -2.317 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.868 -1.092 -1.708 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.334 -2.442 -1.259 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.414 -2.625 -0.419 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.864 -3.680 -1.540 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -9.585 -3.917 -0.202 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -8.659 -4.578 -0.870 1.00 0.00 N ATOM 0 H HIS B 27 -6.608 -0.296 -3.673 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.202 -1.396 -3.355 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.792 -1.126 -1.878 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.041 -0.372 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -7.022 -3.917 -2.173 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.353 -4.357 0.417 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -8.551 -5.592 -0.886 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.806 1.800 -2.838 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.497 3.059 -2.593 1.00 0.00 C ATOM 1188 C LYS B 28 -10.581 3.291 -3.639 1.00 0.00 C ATOM 1189 O LYS B 28 -11.559 3.997 -3.390 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.503 4.222 -2.605 1.00 0.00 C ATOM 1191 CG LYS B 28 -9.087 5.528 -2.091 1.00 0.00 C ATOM 1192 CD LYS B 28 -9.302 6.524 -3.218 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.980 7.028 -3.776 1.00 0.00 C ATOM 1194 NZ LYS B 28 -8.134 7.597 -5.143 1.00 0.00 N ATOM 0 H LYS B 28 -7.837 1.905 -3.137 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.967 3.004 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.638 3.956 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.143 4.371 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.036 5.332 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.418 5.959 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.879 6.055 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.889 7.367 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.572 7.788 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.262 6.209 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.210 7.929 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.500 6.865 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.800 8.395 -5.114 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.402 2.692 -4.812 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.365 2.829 -5.896 1.00 0.00 C ATOM 1210 C GLN B 29 -12.565 1.916 -5.670 1.00 0.00 C ATOM 1211 O GLN B 29 -13.703 2.290 -5.954 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.707 2.505 -7.237 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.580 2.830 -8.438 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.846 2.662 -9.754 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.858 1.586 -10.352 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.202 3.729 -10.214 1.00 0.00 N ATOM 0 H GLN B 29 -9.597 2.106 -5.035 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.713 3.862 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.772 3.060 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.452 1.446 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.458 2.183 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.939 3.856 -8.355 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -10.218 4.601 -9.686 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.691 3.676 -11.095 1.00 0.00 H new ATOM 1225 N SER B 30 -12.302 0.717 -5.160 1.00 0.00 N ATOM 1226 CA SER B 30 -13.364 -0.251 -4.899 1.00 0.00 C ATOM 1227 C SER B 30 -14.208 0.164 -3.693 1.00 0.00 C ATOM 1228 O SER B 30 -15.405 -0.119 -3.637 1.00 0.00 O ATOM 1229 CB SER B 30 -12.770 -1.641 -4.666 1.00 0.00 C ATOM 1230 OG SER B 30 -11.529 -1.558 -3.986 1.00 0.00 O ATOM 0 H SER B 30 -11.366 0.392 -4.919 1.00 0.00 H new ATOM 0 HA SER B 30 -14.012 -0.280 -5.775 1.00 0.00 H new ATOM 0 HB2 SER B 30 -13.467 -2.245 -4.085 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.631 -2.146 -5.622 1.00 0.00 H new ATOM 0 HG SER B 30 -11.548 -0.802 -3.362 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.577 0.832 -2.734 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.270 1.285 -1.530 1.00 0.00 C ATOM 1238 C ILE B 31 -15.012 2.591 -1.795 1.00 0.00 C ATOM 1239 O ILE B 31 -16.035 2.873 -1.172 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.279 1.475 -0.363 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.963 2.074 0.869 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.127 2.361 -0.796 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.835 1.094 1.613 1.00 0.00 C ATOM 0 H ILE B 31 -12.586 1.073 -2.765 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.993 0.517 -1.253 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.899 0.491 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.200 2.456 1.547 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.570 2.925 0.559 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.434 2.488 0.035 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.607 1.898 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.511 3.335 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.286 1.589 2.473 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.620 0.730 0.951 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -14.230 0.254 1.954 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.491 3.382 -2.727 1.00 0.00 N ATOM 1256 CA LYS B 32 -15.106 4.656 -3.078 1.00 0.00 C ATOM 1257 C LYS B 32 -16.269 4.443 -4.041 1.00 0.00 C ATOM 1258 O LYS B 32 -17.202 5.246 -4.089 1.00 0.00 O ATOM 1259 CB LYS B 32 -14.072 5.593 -3.705 1.00 0.00 C ATOM 1260 CG LYS B 32 -13.196 6.302 -2.685 1.00 0.00 C ATOM 1261 CD LYS B 32 -13.340 7.812 -2.783 1.00 0.00 C ATOM 1262 CE LYS B 32 -13.464 8.450 -1.409 1.00 0.00 C ATOM 1263 NZ LYS B 32 -13.929 9.862 -1.492 1.00 0.00 N ATOM 0 H LYS B 32 -13.645 3.163 -3.252 1.00 0.00 H new ATOM 0 HA LYS B 32 -15.488 5.113 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -13.437 5.020 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -14.589 6.339 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.466 5.974 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -12.154 6.024 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.476 8.228 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -14.219 8.057 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -14.162 7.873 -0.803 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.499 8.415 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -14.000 10.261 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -13.250 10.419 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -14.862 9.894 -1.951 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.209 3.355 -4.801 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.260 3.035 -5.758 1.00 0.00 C ATOM 1279 C LYS B 33 -18.424 2.336 -5.064 1.00 0.00 C ATOM 1280 O LYS B 33 -19.587 2.563 -5.398 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.710 2.147 -6.877 1.00 0.00 C ATOM 1282 CG LYS B 33 -17.367 2.391 -8.226 1.00 0.00 C ATOM 1283 CD LYS B 33 -16.400 2.139 -9.370 1.00 0.00 C ATOM 1284 CE LYS B 33 -16.429 0.685 -9.814 1.00 0.00 C ATOM 1285 NZ LYS B 33 -15.415 0.406 -10.869 1.00 0.00 N ATOM 0 H LYS B 33 -15.444 2.681 -4.773 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.621 3.967 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.637 2.316 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.846 1.102 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.235 1.740 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -17.730 3.418 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.655 2.783 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -15.390 2.406 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -16.246 0.039 -8.955 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -17.422 0.440 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -15.467 -0.596 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -15.604 1.004 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -14.465 0.615 -10.501 1.00 0.00 H new ATOM 1299 N LEU B 34 -18.100 1.490 -4.092 1.00 0.00 N ATOM 1300 CA LEU B 34 -19.117 0.761 -3.345 1.00 0.00 C ATOM 1301 C LEU B 34 -19.769 1.663 -2.304 1.00 0.00 C ATOM 1302 O LEU B 34 -20.925 1.465 -1.932 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.500 -0.463 -2.665 1.00 0.00 C ATOM 1304 CG LEU B 34 -19.238 -1.781 -2.913 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -18.358 -2.963 -2.535 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -20.543 -1.816 -2.132 1.00 0.00 C ATOM 0 H LEU B 34 -17.142 1.293 -3.804 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.883 0.428 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.471 -0.570 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.461 -0.282 -1.591 1.00 0.00 H new ATOM 0 HG LEU B 34 -19.471 -1.851 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -18.898 -3.892 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -17.449 -2.947 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -18.095 -2.898 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -21.054 -2.760 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -20.332 -1.724 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -21.179 -0.989 -2.449 1.00 0.00 H new ATOM 1318 N LYS B 35 -19.019 2.658 -1.839 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.526 3.595 -0.843 1.00 0.00 C ATOM 1320 C LYS B 35 -20.364 4.683 -1.504 1.00 0.00 C ATOM 1321 O LYS B 35 -21.333 5.172 -0.925 1.00 0.00 O ATOM 1322 CB LYS B 35 -18.368 4.225 -0.068 1.00 0.00 C ATOM 1323 CG LYS B 35 -18.808 5.281 0.932 1.00 0.00 C ATOM 1324 CD LYS B 35 -18.636 6.684 0.373 1.00 0.00 C ATOM 1325 CE LYS B 35 -17.178 6.985 0.064 1.00 0.00 C ATOM 1326 NZ LYS B 35 -16.748 8.290 0.637 1.00 0.00 N ATOM 0 H LYS B 35 -18.059 2.836 -2.136 1.00 0.00 H new ATOM 0 HA LYS B 35 -20.159 3.044 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -17.826 3.440 0.460 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.671 4.674 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.853 5.119 1.197 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -18.227 5.180 1.849 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -19.231 6.791 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -19.015 7.412 1.091 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -16.550 6.188 0.463 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -17.030 6.996 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -15.946 8.662 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -17.539 8.965 0.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -16.458 8.156 1.627 1.00 0.00 H new ATOM 1340 N GLN B 36 -19.985 5.054 -2.723 1.00 0.00 N ATOM 1341 CA GLN B 36 -20.703 6.083 -3.466 1.00 0.00 C ATOM 1342 C GLN B 36 -21.981 5.515 -4.073 1.00 0.00 C ATOM 1343 O GLN B 36 -22.954 6.238 -4.286 1.00 0.00 O ATOM 1344 CB GLN B 36 -19.813 6.663 -4.567 1.00 0.00 C ATOM 1345 CG GLN B 36 -20.419 7.869 -5.265 1.00 0.00 C ATOM 1346 CD GLN B 36 -21.395 7.479 -6.359 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -21.029 6.808 -7.324 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -22.646 7.900 -6.213 1.00 0.00 N ATOM 0 H GLN B 36 -19.185 4.658 -3.217 1.00 0.00 H new ATOM 0 HA GLN B 36 -20.972 6.880 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -18.853 6.947 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -19.612 5.888 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -20.931 8.490 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -19.621 8.475 -5.694 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -22.906 8.454 -5.397 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -23.347 7.669 -6.917 1.00 0.00 H new ATOM 1357 N SER B 37 -21.971 4.214 -4.350 1.00 0.00 N ATOM 1358 CA SER B 37 -23.130 3.548 -4.930 1.00 0.00 C ATOM 1359 C SER B 37 -24.197 3.295 -3.871 1.00 0.00 C ATOM 1360 O SER B 37 -25.384 3.196 -4.182 1.00 0.00 O ATOM 1361 CB SER B 37 -22.713 2.226 -5.577 1.00 0.00 C ATOM 1362 OG SER B 37 -23.741 1.719 -6.412 1.00 0.00 O ATOM 0 H SER B 37 -21.173 3.602 -4.182 1.00 0.00 H new ATOM 0 HA SER B 37 -23.550 4.202 -5.694 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.805 2.374 -6.162 1.00 0.00 H new ATOM 0 HB3 SER B 37 -22.477 1.497 -4.802 1.00 0.00 H new ATOM 0 HG SER B 37 -23.449 0.875 -6.815 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.766 3.191 -2.618 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.685 2.950 -1.512 1.00 0.00 C ATOM 1370 C GLU B 38 -25.483 4.208 -1.186 1.00 0.00 C ATOM 1371 O GLU B 38 -26.614 4.129 -0.706 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.914 2.486 -0.273 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.707 1.543 0.618 1.00 0.00 C ATOM 1374 CD GLU B 38 -24.143 1.457 2.022 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -22.947 1.124 2.162 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -24.897 1.722 2.982 1.00 0.00 O ATOM 0 H GLU B 38 -22.787 3.270 -2.344 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.381 2.167 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.998 1.988 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -23.618 3.359 0.309 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.743 1.879 0.666 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -24.715 0.548 0.172 1.00 0.00 H new ATOM 1383 N ASP B 39 -24.888 5.366 -1.450 1.00 0.00 N ATOM 1384 CA ASP B 39 -25.545 6.641 -1.186 1.00 0.00 C ATOM 1385 C ASP B 39 -26.645 6.909 -2.208 1.00 0.00 C ATOM 1386 O ASP B 39 -27.598 7.635 -1.932 1.00 0.00 O ATOM 1387 CB ASP B 39 -24.523 7.779 -1.207 1.00 0.00 C ATOM 1388 CG ASP B 39 -25.155 9.128 -0.928 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -25.828 9.668 -1.832 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -24.976 9.646 0.195 1.00 0.00 O ATOM 0 H ASP B 39 -23.952 5.448 -1.847 1.00 0.00 H new ATOM 0 HA ASP B 39 -26.000 6.589 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -23.749 7.583 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -24.032 7.805 -2.180 1.00 0.00 H new ATOM 1395 N ASP B 40 -26.504 6.316 -3.389 1.00 0.00 N ATOM 1396 CA ASP B 40 -27.485 6.491 -4.453 1.00 0.00 C ATOM 1397 C ASP B 40 -27.173 5.580 -5.636 1.00 0.00 C ATOM 1398 O ASP B 40 -26.039 5.134 -5.807 1.00 0.00 O ATOM 1399 CB ASP B 40 -27.516 7.950 -4.913 1.00 0.00 C ATOM 1400 CG ASP B 40 -28.927 8.490 -5.029 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -29.694 8.362 -4.052 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -29.266 9.042 -6.097 1.00 0.00 O ATOM 0 H ASP B 40 -25.720 5.710 -3.633 1.00 0.00 H new ATOM 0 HA ASP B 40 -28.464 6.221 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -26.953 8.562 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -27.017 8.034 -5.879 1.00 0.00 H new ATOM 1407 N ASP B 41 -28.188 5.307 -6.450 1.00 0.00 N ATOM 1408 CA ASP B 41 -28.022 4.448 -7.617 1.00 0.00 C ATOM 1409 C ASP B 41 -26.839 4.904 -8.465 1.00 0.00 C ATOM 1410 O ASP B 41 -26.324 6.014 -8.212 1.00 0.00 O ATOM 1411 CB ASP B 41 -29.298 4.446 -8.460 1.00 0.00 C ATOM 1412 CG ASP B 41 -30.123 3.191 -8.258 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -29.565 2.185 -7.769 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -31.327 3.211 -8.588 1.00 0.00 O ATOM 1415 OXT ASP B 41 -26.438 4.149 -9.374 1.00 0.00 O ATOM 0 H ASP B 41 -29.133 5.668 -6.323 1.00 0.00 H new ATOM 0 HA ASP B 41 -27.825 3.435 -7.266 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -29.900 5.318 -8.205 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -29.034 4.538 -9.514 1.00 0.00 H new TER 1420 ASP B 41