USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 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 6 HIS : no HD1:sc= -2.69 K(o=-1.5,f=-3!) USER MOD Set 1.2: B 37 SER OG : rot -53:sc= 1.16 USER MOD Set 2.1: B 12 HIS :FLIP no HD1:sc= -6.66! C(o=-15!,f=-13!) USER MOD Set 2.2: B 13 HIS : no HD1:sc= -6.18! C(o=-13!,f=-14!) USER MOD Set 3.1: A 37 SER OG : rot -52:sc= 1.11 USER MOD Set 3.2: B 6 HIS : no HD1:sc= -2.78 K(o=-1.7,f=-3!) USER MOD Set 4.1: A 12 HIS :FLIP no HD1:sc= -6.74! C(o=-15!,f=-13!) USER MOD Set 4.2: A 13 HIS : no HD1:sc= -6.25! C(o=-13!,f=-14!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= -0.271 (180deg=-0.322) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.6) USER MOD Single : A 8 ASN : amide:sc=-0.00382 X(o=-0.0038,f=-0.097) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.273 (180deg=-0.668) USER MOD Single : A 21 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.048) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -8.23! C(o=-10!,f=-8.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0401 X(o=-0.04,f=0) 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+ 165:sc=-0.00577 (180deg=-0.0872) USER MOD Single : A 36 GLN : amide:sc= -1.81! C(o=-1.8!,f=-2.6!) USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -179:sc= -0.258 (180deg=-0.285) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.63) USER MOD Single : B 8 ASN : amide:sc=-0.00974 X(o=-0.0097,f=-0.13) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 162:sc= -0.301 (180deg=-0.844) USER MOD Single : B 21 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.056) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS :FLIP no HD1:sc= -8.81! C(o=-11!,f=-8.8!) USER MOD Single : B 28 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.00764) USER MOD Single : B 29 GLN : amide:sc= -0.0324 X(o=-0.032,f=0) 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+ 166:sc=-0.000279 (180deg=-0.0615) USER MOD Single : B 36 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.357 7.083 3.183 1.00 0.00 N ATOM 2 CA ALA A 1 -31.278 6.258 2.581 1.00 0.00 C ATOM 3 C ALA A 1 -30.276 5.810 3.639 1.00 0.00 C ATOM 4 O ALA A 1 -29.461 6.603 4.111 1.00 0.00 O ATOM 5 CB ALA A 1 -30.573 7.035 1.481 1.00 0.00 C ATOM 0 H1 ALA A 1 -33.025 7.375 2.442 1.00 0.00 H new ATOM 0 H2 ALA A 1 -32.860 6.525 3.903 1.00 0.00 H new ATOM 0 H3 ALA A 1 -31.942 7.927 3.627 1.00 0.00 H new ATOM 0 HA ALA A 1 -31.733 5.367 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.785 6.419 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -31.292 7.302 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.136 7.942 1.899 1.00 0.00 H new ATOM 13 N LEU A 2 -30.341 4.535 4.007 1.00 0.00 N ATOM 14 CA LEU A 2 -29.439 3.982 5.009 1.00 0.00 C ATOM 15 C LEU A 2 -28.736 2.735 4.481 1.00 0.00 C ATOM 16 O LEU A 2 -27.561 2.780 4.117 1.00 0.00 O ATOM 17 CB LEU A 2 -30.209 3.646 6.288 1.00 0.00 C ATOM 18 CG LEU A 2 -29.375 3.000 7.396 1.00 0.00 C ATOM 19 CD1 LEU A 2 -29.092 4.002 8.503 1.00 0.00 C ATOM 20 CD2 LEU A 2 -30.087 1.775 7.950 1.00 0.00 C ATOM 0 H LEU A 2 -31.009 3.865 3.626 1.00 0.00 H new ATOM 0 HA LEU A 2 -28.683 4.734 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -30.654 4.562 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -31.030 2.975 6.034 1.00 0.00 H new ATOM 0 HG LEU A 2 -28.423 2.682 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -28.498 3.525 9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -28.542 4.850 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -30.033 4.351 8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -29.481 1.327 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -31.053 2.070 8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -30.238 1.049 7.151 1.00 0.00 H new ATOM 32 N LYS A 3 -29.463 1.623 4.443 1.00 0.00 N ATOM 33 CA LYS A 3 -28.909 0.364 3.959 1.00 0.00 C ATOM 34 C LYS A 3 -27.715 -0.067 4.806 1.00 0.00 C ATOM 35 O LYS A 3 -27.001 0.770 5.360 1.00 0.00 O ATOM 36 CB LYS A 3 -28.487 0.497 2.495 1.00 0.00 C ATOM 37 CG LYS A 3 -29.658 0.549 1.527 1.00 0.00 C ATOM 38 CD LYS A 3 -30.375 1.887 1.593 1.00 0.00 C ATOM 39 CE LYS A 3 -29.438 3.039 1.266 1.00 0.00 C ATOM 40 NZ LYS A 3 -30.007 3.939 0.227 1.00 0.00 N ATOM 0 H LYS A 3 -30.437 1.568 4.742 1.00 0.00 H new ATOM 0 HA LYS A 3 -29.684 -0.399 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -27.889 1.401 2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.846 -0.345 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.300 0.376 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -30.359 -0.253 1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.211 1.887 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.793 2.028 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -29.237 3.611 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.483 2.643 0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.317 4.682 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -30.223 3.389 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.879 4.376 0.587 1.00 0.00 H new ATOM 54 N LYS A 4 -27.505 -1.375 4.902 1.00 0.00 N ATOM 55 CA LYS A 4 -26.397 -1.915 5.682 1.00 0.00 C ATOM 56 C LYS A 4 -25.558 -2.883 4.850 1.00 0.00 C ATOM 57 O LYS A 4 -24.819 -3.703 5.397 1.00 0.00 O ATOM 58 CB LYS A 4 -26.922 -2.623 6.932 1.00 0.00 C ATOM 59 CG LYS A 4 -28.192 -3.423 6.691 1.00 0.00 C ATOM 60 CD LYS A 4 -28.945 -3.673 7.986 1.00 0.00 C ATOM 61 CE LYS A 4 -30.134 -2.736 8.129 1.00 0.00 C ATOM 62 NZ LYS A 4 -30.555 -2.585 9.550 1.00 0.00 N ATOM 0 H LYS A 4 -28.087 -2.081 4.450 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.762 -1.082 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -26.149 -3.291 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -27.112 -1.880 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.834 -2.887 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.940 -4.376 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -29.290 -4.707 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -28.271 -3.539 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -29.877 -1.759 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -30.969 -3.117 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -31.368 -1.939 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -30.825 -3.514 9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -29.767 -2.197 10.106 1.00 0.00 H new ATOM 76 N HIS A 5 -25.668 -2.779 3.529 1.00 0.00 N ATOM 77 CA HIS A 5 -24.913 -3.641 2.630 1.00 0.00 C ATOM 78 C HIS A 5 -23.631 -2.947 2.183 1.00 0.00 C ATOM 79 O HIS A 5 -22.569 -3.568 2.101 1.00 0.00 O ATOM 80 CB HIS A 5 -25.759 -4.014 1.412 1.00 0.00 C ATOM 81 CG HIS A 5 -27.191 -4.297 1.743 1.00 0.00 C ATOM 82 ND1 HIS A 5 -27.591 -4.872 2.932 1.00 0.00 N ATOM 83 CD2 HIS A 5 -28.324 -4.080 1.033 1.00 0.00 C ATOM 84 CE1 HIS A 5 -28.906 -4.999 2.939 1.00 0.00 C ATOM 85 NE2 HIS A 5 -29.374 -4.525 1.800 1.00 0.00 N ATOM 0 H HIS A 5 -26.273 -2.106 3.059 1.00 0.00 H new ATOM 0 HA HIS A 5 -24.651 -4.553 3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -25.716 -3.201 0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -25.325 -4.892 0.933 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -28.390 -3.640 0.049 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -29.497 -5.419 3.740 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -30.358 -4.494 1.532 1.00 0.00 H new ATOM 94 N HIS A 6 -23.739 -1.653 1.903 1.00 0.00 N ATOM 95 CA HIS A 6 -22.591 -0.870 1.471 1.00 0.00 C ATOM 96 C HIS A 6 -21.534 -0.824 2.564 1.00 0.00 C ATOM 97 O HIS A 6 -20.347 -0.957 2.288 1.00 0.00 O ATOM 98 CB HIS A 6 -23.019 0.548 1.092 1.00 0.00 C ATOM 99 CG HIS A 6 -23.699 0.633 -0.240 1.00 0.00 C ATOM 100 ND1 HIS A 6 -23.924 -0.467 -1.041 1.00 0.00 N ATOM 101 CD2 HIS A 6 -24.205 1.695 -0.910 1.00 0.00 C ATOM 102 CE1 HIS A 6 -24.538 -0.084 -2.147 1.00 0.00 C ATOM 103 NE2 HIS A 6 -24.720 1.221 -2.091 1.00 0.00 N ATOM 0 H HIS A 6 -24.610 -1.126 1.968 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.162 -1.351 0.592 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.691 0.933 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.141 1.194 1.084 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.204 2.723 -0.578 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -24.839 -0.730 -2.958 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -25.171 1.787 -2.810 1.00 0.00 H new ATOM 112 N GLU A 7 -21.974 -0.645 3.806 1.00 0.00 N ATOM 113 CA GLU A 7 -21.059 -0.599 4.939 1.00 0.00 C ATOM 114 C GLU A 7 -20.309 -1.920 5.069 1.00 0.00 C ATOM 115 O GLU A 7 -19.209 -1.969 5.620 1.00 0.00 O ATOM 116 CB GLU A 7 -21.824 -0.301 6.230 1.00 0.00 C ATOM 117 CG GLU A 7 -23.129 -1.071 6.355 1.00 0.00 C ATOM 118 CD GLU A 7 -23.517 -1.330 7.797 1.00 0.00 C ATOM 119 OE1 GLU A 7 -23.097 -2.370 8.347 1.00 0.00 O ATOM 120 OE2 GLU A 7 -24.241 -0.493 8.376 1.00 0.00 O ATOM 0 H GLU A 7 -22.957 -0.530 4.052 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.337 0.199 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.188 -0.539 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.036 0.767 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -23.925 -0.512 5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -23.037 -2.022 5.831 1.00 0.00 H new ATOM 127 N ASN A 8 -20.908 -2.991 4.551 1.00 0.00 N ATOM 128 CA ASN A 8 -20.293 -4.313 4.601 1.00 0.00 C ATOM 129 C ASN A 8 -19.091 -4.373 3.666 1.00 0.00 C ATOM 130 O ASN A 8 -17.959 -4.581 4.106 1.00 0.00 O ATOM 131 CB ASN A 8 -21.310 -5.389 4.218 1.00 0.00 C ATOM 132 CG ASN A 8 -21.696 -6.263 5.395 1.00 0.00 C ATOM 133 OD1 ASN A 8 -20.837 -6.808 6.088 1.00 0.00 O ATOM 134 ND2 ASN A 8 -22.997 -6.403 5.627 1.00 0.00 N ATOM 0 H ASN A 8 -21.819 -2.967 4.092 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.955 -4.498 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.203 -4.913 3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.895 -6.013 3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -23.317 -6.980 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -23.675 -5.933 5.027 1.00 0.00 H new ATOM 141 N GLU A 9 -19.338 -4.168 2.375 1.00 0.00 N ATOM 142 CA GLU A 9 -18.265 -4.179 1.387 1.00 0.00 C ATOM 143 C GLU A 9 -17.357 -2.958 1.559 1.00 0.00 C ATOM 144 O GLU A 9 -16.281 -2.882 0.965 1.00 0.00 O ATOM 145 CB GLU A 9 -18.844 -4.203 -0.028 1.00 0.00 C ATOM 146 CG GLU A 9 -19.364 -5.568 -0.449 1.00 0.00 C ATOM 147 CD GLU A 9 -20.522 -6.040 0.408 1.00 0.00 C ATOM 148 OE1 GLU A 9 -21.546 -5.328 0.468 1.00 0.00 O ATOM 149 OE2 GLU A 9 -20.405 -7.123 1.019 1.00 0.00 O ATOM 0 H GLU A 9 -20.267 -3.993 1.991 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.670 -5.079 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.656 -3.479 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.075 -3.883 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.681 -5.526 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.554 -6.295 -0.391 1.00 0.00 H new ATOM 156 N ILE A 10 -17.798 -2.009 2.385 1.00 0.00 N ATOM 157 CA ILE A 10 -17.041 -0.796 2.649 1.00 0.00 C ATOM 158 C ILE A 10 -16.113 -1.009 3.845 1.00 0.00 C ATOM 159 O ILE A 10 -15.066 -0.375 3.951 1.00 0.00 O ATOM 160 CB ILE A 10 -18.009 0.396 2.895 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.569 0.895 1.562 1.00 0.00 C ATOM 162 CG2 ILE A 10 -17.343 1.546 3.643 1.00 0.00 C ATOM 163 CD1 ILE A 10 -19.731 1.852 1.715 1.00 0.00 C ATOM 0 H ILE A 10 -18.685 -2.063 2.885 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.427 -0.559 1.780 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.819 0.029 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.773 1.389 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.890 0.039 0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.063 2.351 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.992 1.194 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.497 1.916 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.077 2.165 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.544 1.355 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.410 2.726 2.281 1.00 0.00 H new ATOM 175 N SER A 11 -16.499 -1.916 4.731 1.00 0.00 N ATOM 176 CA SER A 11 -15.690 -2.219 5.902 1.00 0.00 C ATOM 177 C SER A 11 -14.574 -3.179 5.523 1.00 0.00 C ATOM 178 O SER A 11 -13.496 -3.166 6.120 1.00 0.00 O ATOM 179 CB SER A 11 -16.555 -2.822 7.011 1.00 0.00 C ATOM 180 OG SER A 11 -16.899 -1.846 7.978 1.00 0.00 O ATOM 0 H SER A 11 -17.364 -2.453 4.662 1.00 0.00 H new ATOM 0 HA SER A 11 -15.252 -1.293 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.462 -3.246 6.579 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.018 -3.640 7.491 1.00 0.00 H new ATOM 0 HG SER A 11 -17.453 -2.257 8.674 1.00 0.00 H new ATOM 186 N HIS A 12 -14.836 -4.006 4.515 1.00 0.00 N ATOM 187 CA HIS A 12 -13.854 -4.966 4.044 1.00 0.00 C ATOM 188 C HIS A 12 -12.833 -4.263 3.142 1.00 0.00 C ATOM 189 O HIS A 12 -11.625 -4.413 3.331 1.00 0.00 O ATOM 190 CB HIS A 12 -14.574 -6.138 3.343 1.00 0.00 C ATOM 191 CG HIS A 12 -13.936 -6.637 2.080 1.00 0.00 C ATOM 192 ND1 HIS A 12 -14.177 -6.314 0.791 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -12.932 -7.583 2.057 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -13.324 -7.062 0.018 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -12.583 -7.819 0.805 1.00 0.00 N flip ATOM 0 H HIS A 12 -15.722 -4.027 4.011 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.298 -5.387 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.643 -6.969 4.045 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.594 -5.828 3.114 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.499 -8.056 2.926 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.268 -7.035 -1.060 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.864 -8.474 0.499 1.00 0.00 H new ATOM 204 N HIS A 13 -13.315 -3.475 2.179 1.00 0.00 N ATOM 205 CA HIS A 13 -12.412 -2.750 1.295 1.00 0.00 C ATOM 206 C HIS A 13 -11.677 -1.670 2.077 1.00 0.00 C ATOM 207 O HIS A 13 -10.566 -1.283 1.721 1.00 0.00 O ATOM 208 CB HIS A 13 -13.158 -2.103 0.126 1.00 0.00 C ATOM 209 CG HIS A 13 -13.908 -3.057 -0.741 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.479 -4.338 -1.016 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.065 -2.895 -1.418 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.343 -4.924 -1.827 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.315 -4.068 -2.085 1.00 0.00 N ATOM 0 H HIS A 13 -14.307 -3.326 1.996 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.702 -3.471 0.890 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.857 -1.367 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.440 -1.561 -0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.680 -2.007 -1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.267 -5.930 -2.212 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.121 -4.249 -2.683 1.00 0.00 H new ATOM 222 N ALA A 14 -12.306 -1.188 3.148 1.00 0.00 N ATOM 223 CA ALA A 14 -11.705 -0.154 3.982 1.00 0.00 C ATOM 224 C ALA A 14 -10.492 -0.705 4.714 1.00 0.00 C ATOM 225 O ALA A 14 -9.435 -0.075 4.745 1.00 0.00 O ATOM 226 CB ALA A 14 -12.722 0.389 4.974 1.00 0.00 C ATOM 0 H ALA A 14 -13.228 -1.497 3.456 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.381 0.664 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.256 1.160 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.566 0.817 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.075 -0.420 5.613 1.00 0.00 H new ATOM 232 N LYS A 15 -10.647 -1.890 5.292 1.00 0.00 N ATOM 233 CA LYS A 15 -9.557 -2.532 6.011 1.00 0.00 C ATOM 234 C LYS A 15 -8.484 -3.015 5.039 1.00 0.00 C ATOM 235 O LYS A 15 -7.341 -3.245 5.432 1.00 0.00 O ATOM 236 CB LYS A 15 -10.082 -3.707 6.838 1.00 0.00 C ATOM 237 CG LYS A 15 -9.039 -4.310 7.766 1.00 0.00 C ATOM 238 CD LYS A 15 -9.594 -4.524 9.164 1.00 0.00 C ATOM 239 CE LYS A 15 -8.528 -5.046 10.113 1.00 0.00 C ATOM 240 NZ LYS A 15 -7.216 -4.375 9.897 1.00 0.00 N ATOM 0 H LYS A 15 -11.516 -2.424 5.276 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.113 -1.798 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.934 -3.372 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.448 -4.481 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.696 -5.262 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.171 -3.653 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.994 -3.584 9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.423 -5.230 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.850 -4.890 11.142 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.413 -6.121 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.599 -4.548 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.768 -4.756 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.364 -3.352 9.785 1.00 0.00 H new ATOM 254 N GLU A 16 -8.859 -3.173 3.770 1.00 0.00 N ATOM 255 CA GLU A 16 -7.925 -3.632 2.750 1.00 0.00 C ATOM 256 C GLU A 16 -7.032 -2.496 2.258 1.00 0.00 C ATOM 257 O GLU A 16 -5.859 -2.711 1.956 1.00 0.00 O ATOM 258 CB GLU A 16 -8.685 -4.247 1.574 1.00 0.00 C ATOM 259 CG GLU A 16 -8.472 -5.745 1.430 1.00 0.00 C ATOM 260 CD GLU A 16 -9.771 -6.498 1.220 1.00 0.00 C ATOM 261 OE1 GLU A 16 -10.821 -6.013 1.689 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.737 -7.575 0.586 1.00 0.00 O ATOM 0 H GLU A 16 -9.802 -2.990 3.427 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.286 -4.391 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.750 -4.050 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.374 -3.754 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.806 -5.935 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.975 -6.126 2.322 1.00 0.00 H new ATOM 269 N ILE A 17 -7.585 -1.288 2.176 1.00 0.00 N ATOM 270 CA ILE A 17 -6.817 -0.135 1.720 1.00 0.00 C ATOM 271 C ILE A 17 -5.942 0.405 2.845 1.00 0.00 C ATOM 272 O ILE A 17 -4.834 0.888 2.607 1.00 0.00 O ATOM 273 CB ILE A 17 -7.744 0.982 1.193 1.00 0.00 C ATOM 274 CG1 ILE A 17 -6.928 2.224 0.787 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.812 1.324 2.225 1.00 0.00 C ATOM 276 CD1 ILE A 17 -6.644 3.203 1.914 1.00 0.00 C ATOM 0 H ILE A 17 -8.555 -1.084 2.418 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.179 -0.466 0.901 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.252 0.618 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.979 1.894 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.463 2.749 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.455 2.113 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.411 0.438 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.334 1.666 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.065 4.043 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.585 3.569 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.078 2.701 2.698 1.00 0.00 H new ATOM 288 N GLU A 18 -6.440 0.308 4.072 1.00 0.00 N ATOM 289 CA GLU A 18 -5.700 0.776 5.235 1.00 0.00 C ATOM 290 C GLU A 18 -4.657 -0.254 5.654 1.00 0.00 C ATOM 291 O GLU A 18 -3.599 0.096 6.178 1.00 0.00 O ATOM 292 CB GLU A 18 -6.655 1.058 6.396 1.00 0.00 C ATOM 293 CG GLU A 18 -6.900 2.539 6.636 1.00 0.00 C ATOM 294 CD GLU A 18 -5.988 3.115 7.703 1.00 0.00 C ATOM 295 OE1 GLU A 18 -5.637 2.376 8.646 1.00 0.00 O ATOM 296 OE2 GLU A 18 -5.628 4.306 7.596 1.00 0.00 O ATOM 0 H GLU A 18 -7.354 -0.091 4.286 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.189 1.701 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.608 0.568 6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.250 0.613 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.752 3.084 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.939 2.689 6.931 1.00 0.00 H new ATOM 303 N ARG A 19 -4.961 -1.526 5.414 1.00 0.00 N ATOM 304 CA ARG A 19 -4.048 -2.607 5.762 1.00 0.00 C ATOM 305 C ARG A 19 -2.909 -2.691 4.757 1.00 0.00 C ATOM 306 O ARG A 19 -1.758 -2.929 5.126 1.00 0.00 O ATOM 307 CB ARG A 19 -4.792 -3.940 5.825 1.00 0.00 C ATOM 308 CG ARG A 19 -3.880 -5.138 6.034 1.00 0.00 C ATOM 309 CD ARG A 19 -3.797 -6.001 4.787 1.00 0.00 C ATOM 310 NE ARG A 19 -3.733 -7.424 5.109 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.711 -8.084 5.722 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.821 -7.451 6.075 1.00 0.00 N ATOM 313 NH2 ARG A 19 -4.580 -9.378 5.981 1.00 0.00 N ATOM 0 H ARG A 19 -5.832 -1.832 4.980 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.630 -2.394 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.520 -3.902 6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.352 -4.078 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.882 -4.794 6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.249 -5.736 6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.665 -5.811 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.916 -5.720 4.210 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.892 -7.940 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.926 -6.456 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.570 -7.959 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.728 -9.869 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.331 -9.883 6.451 1.00 0.00 H new ATOM 327 N LEU A 20 -3.226 -2.483 3.484 1.00 0.00 N ATOM 328 CA LEU A 20 -2.212 -2.526 2.447 1.00 0.00 C ATOM 329 C LEU A 20 -1.314 -1.305 2.558 1.00 0.00 C ATOM 330 O LEU A 20 -0.117 -1.372 2.284 1.00 0.00 O ATOM 331 CB LEU A 20 -2.857 -2.586 1.062 1.00 0.00 C ATOM 332 CG LEU A 20 -3.684 -3.845 0.787 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.714 -3.579 -0.301 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.777 -5.001 0.392 1.00 0.00 C ATOM 0 H LEU A 20 -4.170 -2.285 3.151 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.612 -3.426 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.499 -1.714 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.072 -2.513 0.309 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.212 -4.118 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.293 -4.485 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.382 -2.779 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.206 -3.282 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.381 -5.888 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.223 -4.737 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.077 -5.207 1.201 1.00 0.00 H new ATOM 346 N GLN A 21 -1.906 -0.186 2.969 1.00 0.00 N ATOM 347 CA GLN A 21 -1.168 1.059 3.126 1.00 0.00 C ATOM 348 C GLN A 21 -0.102 0.928 4.208 1.00 0.00 C ATOM 349 O GLN A 21 1.041 1.339 4.017 1.00 0.00 O ATOM 350 CB GLN A 21 -2.124 2.203 3.471 1.00 0.00 C ATOM 351 CG GLN A 21 -2.588 2.994 2.259 1.00 0.00 C ATOM 352 CD GLN A 21 -2.332 4.482 2.402 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.885 5.140 1.462 1.00 0.00 O ATOM 354 NE2 GLN A 21 -2.614 5.020 3.582 1.00 0.00 N ATOM 0 H GLN A 21 -2.897 -0.119 3.199 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.674 1.280 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.995 1.795 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.631 2.880 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.076 2.625 1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.654 2.825 2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.983 4.437 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.462 6.017 3.738 1.00 0.00 H new ATOM 363 N LYS A 22 -0.478 0.349 5.345 1.00 0.00 N ATOM 364 CA LYS A 22 0.462 0.167 6.445 1.00 0.00 C ATOM 365 C LYS A 22 1.619 -0.729 6.015 1.00 0.00 C ATOM 366 O LYS A 22 2.778 -0.472 6.349 1.00 0.00 O ATOM 367 CB LYS A 22 -0.243 -0.431 7.665 1.00 0.00 C ATOM 368 CG LYS A 22 -0.961 -1.737 7.376 1.00 0.00 C ATOM 369 CD LYS A 22 -1.356 -2.451 8.659 1.00 0.00 C ATOM 370 CE LYS A 22 -0.851 -3.885 8.677 1.00 0.00 C ATOM 371 NZ LYS A 22 -1.597 -4.726 9.653 1.00 0.00 N ATOM 0 H LYS A 22 -1.419 0.001 5.527 1.00 0.00 H new ATOM 0 HA LYS A 22 0.859 1.144 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.492 -0.597 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.963 0.292 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.851 -1.540 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.316 -2.384 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.953 -1.911 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.441 -2.445 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.946 -4.316 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.210 -3.893 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.222 -5.696 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.486 -4.330 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.606 -4.740 9.400 1.00 0.00 H new ATOM 385 N GLU A 23 1.298 -1.779 5.265 1.00 0.00 N ATOM 386 CA GLU A 23 2.313 -2.709 4.783 1.00 0.00 C ATOM 387 C GLU A 23 3.343 -1.988 3.919 1.00 0.00 C ATOM 388 O GLU A 23 4.547 -2.223 4.041 1.00 0.00 O ATOM 389 CB GLU A 23 1.661 -3.839 3.983 1.00 0.00 C ATOM 390 CG GLU A 23 1.670 -5.177 4.704 1.00 0.00 C ATOM 391 CD GLU A 23 2.288 -6.283 3.871 1.00 0.00 C ATOM 392 OE1 GLU A 23 3.533 -6.351 3.805 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.526 -7.082 3.286 1.00 0.00 O ATOM 0 H GLU A 23 0.346 -2.006 4.979 1.00 0.00 H new ATOM 0 HA GLU A 23 2.823 -3.133 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.631 -3.565 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.180 -3.945 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.223 -5.079 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.648 -5.452 4.966 1.00 0.00 H new ATOM 400 N ILE A 24 2.866 -1.102 3.047 1.00 0.00 N ATOM 401 CA ILE A 24 3.757 -0.349 2.172 1.00 0.00 C ATOM 402 C ILE A 24 4.673 0.549 3.004 1.00 0.00 C ATOM 403 O ILE A 24 5.816 0.808 2.632 1.00 0.00 O ATOM 404 CB ILE A 24 2.976 0.483 1.106 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.640 1.900 1.595 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.700 -0.235 0.698 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.613 2.943 1.095 1.00 0.00 C ATOM 0 H ILE A 24 1.875 -0.890 2.929 1.00 0.00 H new ATOM 0 HA ILE A 24 4.366 -1.067 1.623 1.00 0.00 H new ATOM 0 HB ILE A 24 3.634 0.581 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.634 2.163 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.633 1.910 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.169 0.360 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.950 -1.207 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.065 -0.373 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.323 3.923 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.617 2.702 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.602 2.958 0.005 1.00 0.00 H new ATOM 419 N GLU A 25 4.152 1.012 4.138 1.00 0.00 N ATOM 420 CA GLU A 25 4.912 1.869 5.035 1.00 0.00 C ATOM 421 C GLU A 25 6.142 1.135 5.545 1.00 0.00 C ATOM 422 O GLU A 25 7.238 1.691 5.589 1.00 0.00 O ATOM 423 CB GLU A 25 4.041 2.318 6.211 1.00 0.00 C ATOM 424 CG GLU A 25 4.681 3.400 7.065 1.00 0.00 C ATOM 425 CD GLU A 25 4.383 3.228 8.541 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.192 3.277 8.916 1.00 0.00 O ATOM 427 OE2 GLU A 25 5.340 3.044 9.323 1.00 0.00 O ATOM 0 H GLU A 25 3.205 0.806 4.455 1.00 0.00 H new ATOM 0 HA GLU A 25 5.232 2.752 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.089 2.685 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.820 1.455 6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.760 3.388 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.323 4.376 6.737 1.00 0.00 H new ATOM 434 N ARG A 26 5.953 -0.128 5.920 1.00 0.00 N ATOM 435 CA ARG A 26 7.052 -0.946 6.413 1.00 0.00 C ATOM 436 C ARG A 26 8.148 -1.046 5.358 1.00 0.00 C ATOM 437 O ARG A 26 9.320 -0.785 5.635 1.00 0.00 O ATOM 438 CB ARG A 26 6.553 -2.344 6.784 1.00 0.00 C ATOM 439 CG ARG A 26 7.574 -3.170 7.550 1.00 0.00 C ATOM 440 CD ARG A 26 7.872 -4.481 6.841 1.00 0.00 C ATOM 441 NE ARG A 26 7.005 -5.562 7.302 1.00 0.00 N ATOM 442 CZ ARG A 26 7.271 -6.851 7.113 1.00 0.00 C ATOM 443 NH1 ARG A 26 8.374 -7.216 6.475 1.00 0.00 N ATOM 444 NH2 ARG A 26 6.433 -7.774 7.563 1.00 0.00 N ATOM 0 H ARG A 26 5.051 -0.604 5.891 1.00 0.00 H new ATOM 0 HA ARG A 26 7.462 -0.473 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.649 -2.250 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.277 -2.876 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.495 -2.598 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.200 -3.374 8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.746 -4.349 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.914 -4.755 7.009 1.00 0.00 H new ATOM 0 HE ARG A 26 6.148 -5.314 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.021 -6.508 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.576 -8.205 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.584 -7.496 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.637 -8.763 7.418 1.00 0.00 H new ATOM 458 N HIS A 27 7.755 -1.407 4.139 1.00 0.00 N ATOM 459 CA HIS A 27 8.704 -1.521 3.041 1.00 0.00 C ATOM 460 C HIS A 27 9.290 -0.154 2.697 1.00 0.00 C ATOM 461 O HIS A 27 10.345 -0.063 2.068 1.00 0.00 O ATOM 462 CB HIS A 27 8.027 -2.128 1.811 1.00 0.00 C ATOM 463 CG HIS A 27 8.110 -3.621 1.762 1.00 0.00 C ATOM 464 ND1 HIS A 27 7.157 -4.568 1.930 1.00 0.00 N flip ATOM 465 CD2 HIS A 27 9.285 -4.302 1.519 1.00 0.00 C flip ATOM 466 CE1 HIS A 27 7.769 -5.789 1.788 1.00 0.00 C flip ATOM 467 NE2 HIS A 27 9.051 -5.602 1.539 1.00 0.00 N flip ATOM 0 H HIS A 27 6.790 -1.624 3.890 1.00 0.00 H new ATOM 0 HA HIS A 27 9.514 -2.179 3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.979 -1.829 1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.487 -1.716 0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.246 -3.844 1.340 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.279 -6.748 1.867 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.743 -6.336 1.388 1.00 0.00 H new ATOM 476 N LYS A 28 8.601 0.907 3.115 1.00 0.00 N ATOM 477 CA LYS A 28 9.049 2.269 2.858 1.00 0.00 C ATOM 478 C LYS A 28 10.173 2.656 3.813 1.00 0.00 C ATOM 479 O LYS A 28 11.068 3.424 3.458 1.00 0.00 O ATOM 480 CB LYS A 28 7.878 3.242 3.008 1.00 0.00 C ATOM 481 CG LYS A 28 8.230 4.687 2.681 1.00 0.00 C ATOM 482 CD LYS A 28 7.858 5.645 3.809 1.00 0.00 C ATOM 483 CE LYS A 28 6.471 5.366 4.373 1.00 0.00 C ATOM 484 NZ LYS A 28 5.928 6.538 5.116 1.00 0.00 N ATOM 0 H LYS A 28 7.726 0.845 3.636 1.00 0.00 H new ATOM 0 HA LYS A 28 9.429 2.320 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.065 2.920 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.506 3.192 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.299 4.762 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.714 4.986 1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.595 5.565 4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.898 6.670 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.794 5.106 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.516 4.504 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.983 6.308 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.561 6.771 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.861 7.354 4.475 1.00 0.00 H new ATOM 498 N GLN A 29 10.120 2.116 5.026 1.00 0.00 N ATOM 499 CA GLN A 29 11.132 2.401 6.034 1.00 0.00 C ATOM 500 C GLN A 29 12.440 1.699 5.693 1.00 0.00 C ATOM 501 O GLN A 29 13.522 2.261 5.866 1.00 0.00 O ATOM 502 CB GLN A 29 10.646 1.959 7.416 1.00 0.00 C ATOM 503 CG GLN A 29 11.642 2.238 8.530 1.00 0.00 C ATOM 504 CD GLN A 29 11.275 1.545 9.828 1.00 0.00 C ATOM 505 OE1 GLN A 29 12.102 0.872 10.441 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.028 1.708 10.252 1.00 0.00 N ATOM 0 H GLN A 29 9.386 1.478 5.334 1.00 0.00 H new ATOM 0 HA GLN A 29 11.307 3.477 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.709 2.468 7.642 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.431 0.891 7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.633 1.912 8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.699 3.313 8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.375 2.275 9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.722 1.266 11.119 1.00 0.00 H new ATOM 515 N SER A 30 12.334 0.468 5.204 1.00 0.00 N ATOM 516 CA SER A 30 13.512 -0.310 4.834 1.00 0.00 C ATOM 517 C SER A 30 14.183 0.277 3.596 1.00 0.00 C ATOM 518 O SER A 30 15.410 0.329 3.507 1.00 0.00 O ATOM 519 CB SER A 30 13.126 -1.768 4.578 1.00 0.00 C ATOM 520 OG SER A 30 13.373 -2.569 5.720 1.00 0.00 O ATOM 0 H SER A 30 11.447 -0.012 5.055 1.00 0.00 H new ATOM 0 HA SER A 30 14.220 -0.270 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.071 -1.826 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.692 -2.154 3.730 1.00 0.00 H new ATOM 0 HG SER A 30 13.116 -3.496 5.531 1.00 0.00 H new ATOM 526 N ILE A 31 13.369 0.717 2.642 1.00 0.00 N ATOM 527 CA ILE A 31 13.879 1.301 1.405 1.00 0.00 C ATOM 528 C ILE A 31 14.416 2.708 1.640 1.00 0.00 C ATOM 529 O ILE A 31 15.295 3.176 0.915 1.00 0.00 O ATOM 530 CB ILE A 31 12.783 1.352 0.326 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.333 1.908 -0.986 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.610 2.195 0.800 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.282 0.970 -1.691 1.00 0.00 C ATOM 0 H ILE A 31 12.351 0.680 2.701 1.00 0.00 H new ATOM 0 HA ILE A 31 14.693 0.663 1.060 1.00 0.00 H new ATOM 0 HB ILE A 31 12.437 0.334 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.500 2.136 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.847 2.848 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.844 2.221 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.193 1.760 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.951 3.209 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.632 1.432 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.134 0.761 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.766 0.038 -1.924 1.00 0.00 H new ATOM 545 N LYS A 32 13.885 3.376 2.658 1.00 0.00 N ATOM 546 CA LYS A 32 14.313 4.728 2.989 1.00 0.00 C ATOM 547 C LYS A 32 15.616 4.704 3.778 1.00 0.00 C ATOM 548 O LYS A 32 16.421 5.632 3.698 1.00 0.00 O ATOM 549 CB LYS A 32 13.228 5.448 3.791 1.00 0.00 C ATOM 550 CG LYS A 32 13.525 6.918 4.037 1.00 0.00 C ATOM 551 CD LYS A 32 12.475 7.556 4.932 1.00 0.00 C ATOM 552 CE LYS A 32 11.072 7.327 4.394 1.00 0.00 C ATOM 553 NZ LYS A 32 10.175 8.484 4.671 1.00 0.00 N ATOM 0 H LYS A 32 13.158 3.002 3.268 1.00 0.00 H new ATOM 0 HA LYS A 32 14.482 5.269 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.279 5.362 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.104 4.946 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.508 7.020 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.563 7.447 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.552 7.142 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.665 8.626 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.119 7.154 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.653 6.427 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.228 8.288 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.109 8.634 5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.561 9.338 4.220 1.00 0.00 H new ATOM 567 N LYS A 33 15.820 3.634 4.539 1.00 0.00 N ATOM 568 CA LYS A 33 17.029 3.486 5.340 1.00 0.00 C ATOM 569 C LYS A 33 18.207 3.079 4.463 1.00 0.00 C ATOM 570 O LYS A 33 19.337 3.516 4.680 1.00 0.00 O ATOM 571 CB LYS A 33 16.812 2.446 6.441 1.00 0.00 C ATOM 572 CG LYS A 33 17.860 2.499 7.542 1.00 0.00 C ATOM 573 CD LYS A 33 17.638 3.684 8.467 1.00 0.00 C ATOM 574 CE LYS A 33 17.996 3.344 9.904 1.00 0.00 C ATOM 575 NZ LYS A 33 17.096 4.022 10.878 1.00 0.00 N ATOM 0 H LYS A 33 15.164 2.857 4.618 1.00 0.00 H new ATOM 0 HA LYS A 33 17.254 4.448 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.826 2.595 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.815 1.451 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.829 1.575 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.853 2.564 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.241 4.527 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.595 3.997 8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.938 2.265 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.028 3.636 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.374 3.763 11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.170 5.053 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.114 3.724 10.709 1.00 0.00 H new ATOM 589 N LEU A 34 17.933 2.241 3.468 1.00 0.00 N ATOM 590 CA LEU A 34 18.968 1.777 2.553 1.00 0.00 C ATOM 591 C LEU A 34 19.374 2.886 1.589 1.00 0.00 C ATOM 592 O LEU A 34 20.548 3.027 1.248 1.00 0.00 O ATOM 593 CB LEU A 34 18.478 0.557 1.770 1.00 0.00 C ATOM 594 CG LEU A 34 19.534 -0.524 1.526 1.00 0.00 C ATOM 595 CD1 LEU A 34 20.841 0.099 1.059 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.754 -1.346 2.786 1.00 0.00 C ATOM 0 H LEU A 34 17.003 1.870 3.275 1.00 0.00 H new ATOM 0 HA LEU A 34 19.840 1.493 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.641 0.111 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.095 0.893 0.806 1.00 0.00 H new ATOM 0 HG LEU A 34 19.172 -1.187 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.579 -0.686 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.673 0.644 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 34 21.209 0.786 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.508 -2.110 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.094 -0.694 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.818 -1.824 3.077 1.00 0.00 H new ATOM 608 N LYS A 35 18.395 3.674 1.156 1.00 0.00 N ATOM 609 CA LYS A 35 18.654 4.774 0.234 1.00 0.00 C ATOM 610 C LYS A 35 19.258 5.961 0.973 1.00 0.00 C ATOM 611 O LYS A 35 19.996 6.757 0.392 1.00 0.00 O ATOM 612 CB LYS A 35 17.363 5.195 -0.470 1.00 0.00 C ATOM 613 CG LYS A 35 17.570 6.259 -1.534 1.00 0.00 C ATOM 614 CD LYS A 35 18.287 5.698 -2.751 1.00 0.00 C ATOM 615 CE LYS A 35 17.312 5.384 -3.875 1.00 0.00 C ATOM 616 NZ LYS A 35 16.788 6.621 -4.517 1.00 0.00 N ATOM 0 H LYS A 35 17.417 3.572 1.428 1.00 0.00 H new ATOM 0 HA LYS A 35 19.367 4.431 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.907 4.318 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.659 5.569 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.605 6.667 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.149 7.084 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.029 6.416 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.826 4.793 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.809 4.768 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.481 4.799 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.338 6.378 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.088 7.067 -3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.572 7.283 -4.687 1.00 0.00 H new ATOM 630 N GLN A 36 18.942 6.072 2.259 1.00 0.00 N ATOM 631 CA GLN A 36 19.455 7.159 3.082 1.00 0.00 C ATOM 632 C GLN A 36 20.896 6.885 3.497 1.00 0.00 C ATOM 633 O GLN A 36 21.665 7.810 3.755 1.00 0.00 O ATOM 634 CB GLN A 36 18.579 7.347 4.321 1.00 0.00 C ATOM 635 CG GLN A 36 17.341 8.192 4.070 1.00 0.00 C ATOM 636 CD GLN A 36 16.448 8.295 5.291 1.00 0.00 C ATOM 637 OE1 GLN A 36 16.649 7.593 6.282 1.00 0.00 O ATOM 638 NE2 GLN A 36 15.454 9.172 5.224 1.00 0.00 N ATOM 0 H GLN A 36 18.332 5.421 2.754 1.00 0.00 H new ATOM 0 HA GLN A 36 19.432 8.075 2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.272 6.368 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.173 7.812 5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.645 9.192 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.773 7.762 3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.325 9.733 4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.819 9.285 6.014 1.00 0.00 H new ATOM 647 N SER A 37 21.253 5.605 3.560 1.00 0.00 N ATOM 648 CA SER A 37 22.603 5.208 3.942 1.00 0.00 C ATOM 649 C SER A 37 23.595 5.503 2.821 1.00 0.00 C ATOM 650 O SER A 37 24.764 5.792 3.073 1.00 0.00 O ATOM 651 CB SER A 37 22.639 3.719 4.292 1.00 0.00 C ATOM 652 OG SER A 37 22.493 2.919 3.131 1.00 0.00 O ATOM 0 H SER A 37 20.627 4.827 3.352 1.00 0.00 H new ATOM 0 HA SER A 37 22.891 5.788 4.819 1.00 0.00 H new ATOM 0 HB2 SER A 37 23.581 3.481 4.786 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.842 3.489 4.999 1.00 0.00 H new ATOM 0 HG SER A 37 21.697 3.204 2.636 1.00 0.00 H new ATOM 658 N GLU A 38 23.120 5.427 1.582 1.00 0.00 N ATOM 659 CA GLU A 38 23.965 5.686 0.422 1.00 0.00 C ATOM 660 C GLU A 38 24.263 7.177 0.290 1.00 0.00 C ATOM 661 O GLU A 38 25.286 7.568 -0.272 1.00 0.00 O ATOM 662 CB GLU A 38 23.290 5.174 -0.852 1.00 0.00 C ATOM 663 CG GLU A 38 24.081 5.462 -2.117 1.00 0.00 C ATOM 664 CD GLU A 38 25.554 5.132 -1.972 1.00 0.00 C ATOM 665 OE1 GLU A 38 25.869 4.054 -1.425 1.00 0.00 O ATOM 666 OE2 GLU A 38 26.392 5.951 -2.403 1.00 0.00 O ATOM 0 H GLU A 38 22.155 5.188 1.356 1.00 0.00 H new ATOM 0 HA GLU A 38 24.907 5.156 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.138 4.098 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.303 5.629 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.663 4.885 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.972 6.515 -2.377 1.00 0.00 H new ATOM 673 N ASP A 39 23.362 8.003 0.812 1.00 0.00 N ATOM 674 CA ASP A 39 23.529 9.450 0.754 1.00 0.00 C ATOM 675 C ASP A 39 23.129 10.096 2.077 1.00 0.00 C ATOM 676 O ASP A 39 22.497 11.152 2.099 1.00 0.00 O ATOM 677 CB ASP A 39 22.692 10.035 -0.385 1.00 0.00 C ATOM 678 CG ASP A 39 23.190 11.396 -0.829 1.00 0.00 C ATOM 679 OD1 ASP A 39 23.766 12.121 0.009 1.00 0.00 O ATOM 680 OD2 ASP A 39 23.005 11.737 -2.017 1.00 0.00 O ATOM 0 H ASP A 39 22.509 7.695 1.280 1.00 0.00 H new ATOM 0 HA ASP A 39 24.582 9.663 0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 39 22.709 9.351 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.654 10.118 -0.063 1.00 0.00 H new ATOM 685 N ASP A 40 23.501 9.453 3.179 1.00 0.00 N ATOM 686 CA ASP A 40 23.180 9.963 4.507 1.00 0.00 C ATOM 687 C ASP A 40 23.894 11.285 4.770 1.00 0.00 C ATOM 688 O ASP A 40 24.994 11.519 4.268 1.00 0.00 O ATOM 689 CB ASP A 40 23.569 8.940 5.576 1.00 0.00 C ATOM 690 CG ASP A 40 22.817 9.150 6.876 1.00 0.00 C ATOM 691 OD1 ASP A 40 21.780 9.845 6.858 1.00 0.00 O ATOM 692 OD2 ASP A 40 23.265 8.616 7.914 1.00 0.00 O ATOM 0 H ASP A 40 24.025 8.578 3.179 1.00 0.00 H new ATOM 0 HA ASP A 40 22.105 10.136 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 40 23.371 7.935 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 40 24.641 9.005 5.764 1.00 0.00 H new ATOM 697 N ASP A 41 23.261 12.147 5.558 1.00 0.00 N ATOM 698 CA ASP A 41 23.835 13.446 5.888 1.00 0.00 C ATOM 699 C ASP A 41 24.378 13.457 7.313 1.00 0.00 C ATOM 700 O ASP A 41 25.566 13.800 7.491 1.00 0.00 O ATOM 701 CB ASP A 41 22.787 14.547 5.721 1.00 0.00 C ATOM 702 CG ASP A 41 23.227 15.622 4.746 1.00 0.00 C ATOM 703 OD1 ASP A 41 23.646 15.270 3.623 1.00 0.00 O ATOM 704 OD2 ASP A 41 23.151 16.816 5.105 1.00 0.00 O ATOM 705 OXT ASP A 41 23.611 13.121 8.240 1.00 0.00 O ATOM 0 H ASP A 41 22.350 11.969 5.980 1.00 0.00 H new ATOM 0 HA ASP A 41 24.662 13.633 5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.853 14.106 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.584 15.001 6.691 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 32.359 7.085 -3.246 1.00 0.00 N ATOM 712 CA ALA B 1 31.281 6.262 -2.638 1.00 0.00 C ATOM 713 C ALA B 1 30.278 5.810 -3.694 1.00 0.00 C ATOM 714 O ALA B 1 29.464 6.602 -4.169 1.00 0.00 O ATOM 715 CB ALA B 1 30.576 7.043 -1.540 1.00 0.00 C ATOM 0 H1 ALA B 1 33.029 7.380 -2.507 1.00 0.00 H new ATOM 0 H2 ALA B 1 32.861 6.524 -3.964 1.00 0.00 H new ATOM 0 H3 ALA B 1 31.943 7.927 -3.693 1.00 0.00 H new ATOM 0 HA ALA B 1 31.737 5.374 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA B 1 29.789 6.428 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA B 1 31.295 7.314 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA B 1 30.138 7.948 -1.961 1.00 0.00 H new ATOM 723 N LEU B 2 30.343 4.533 -4.056 1.00 0.00 N ATOM 724 CA LEU B 2 29.440 3.976 -5.056 1.00 0.00 C ATOM 725 C LEU B 2 28.738 2.731 -4.522 1.00 0.00 C ATOM 726 O LEU B 2 27.564 2.777 -4.157 1.00 0.00 O ATOM 727 CB LEU B 2 30.208 3.637 -6.334 1.00 0.00 C ATOM 728 CG LEU B 2 29.374 2.987 -7.438 1.00 0.00 C ATOM 729 CD1 LEU B 2 29.089 3.984 -8.551 1.00 0.00 C ATOM 730 CD2 LEU B 2 30.084 1.759 -7.988 1.00 0.00 C ATOM 0 H LEU B 2 31.011 3.865 -3.672 1.00 0.00 H new ATOM 0 HA LEU B 2 28.683 4.726 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU B 2 30.652 4.552 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU B 2 31.030 2.968 -6.079 1.00 0.00 H new ATOM 0 HG LEU B 2 28.422 2.672 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU B 2 28.494 3.503 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU B 2 28.538 4.833 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU B 2 30.030 4.332 -8.978 1.00 0.00 H new ATOM 0 HD21 LEU B 2 29.476 1.309 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.050 2.051 -8.400 1.00 0.00 H new ATOM 0 HD23 LEU B 2 30.235 1.036 -7.186 1.00 0.00 H new ATOM 742 N LYS B 3 29.465 1.619 -4.480 1.00 0.00 N ATOM 743 CA LYS B 3 28.912 0.362 -3.990 1.00 0.00 C ATOM 744 C LYS B 3 27.717 -0.071 -4.834 1.00 0.00 C ATOM 745 O LYS B 3 27.004 0.763 -5.393 1.00 0.00 O ATOM 746 CB LYS B 3 28.493 0.500 -2.525 1.00 0.00 C ATOM 747 CG LYS B 3 29.664 0.558 -1.560 1.00 0.00 C ATOM 748 CD LYS B 3 30.380 1.897 -1.630 1.00 0.00 C ATOM 749 CE LYS B 3 29.441 3.048 -1.306 1.00 0.00 C ATOM 750 NZ LYS B 3 30.009 3.952 -0.268 1.00 0.00 N ATOM 0 H LYS B 3 30.438 1.563 -4.779 1.00 0.00 H new ATOM 0 HA LYS B 3 29.686 -0.401 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS B 3 27.894 1.403 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS B 3 27.854 -0.342 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS B 3 29.308 0.388 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS B 3 30.366 -0.243 -1.790 1.00 0.00 H new ATOM 0 HD2 LYS B 3 31.216 1.901 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS B 3 30.797 2.036 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS B 3 29.239 3.618 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS B 3 28.487 2.652 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 29.332 4.714 -0.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 30.194 3.410 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 30.899 4.364 -0.615 1.00 0.00 H new ATOM 764 N LYS B 4 27.504 -1.380 -4.922 1.00 0.00 N ATOM 765 CA LYS B 4 26.394 -1.923 -5.696 1.00 0.00 C ATOM 766 C LYS B 4 25.555 -2.887 -4.859 1.00 0.00 C ATOM 767 O LYS B 4 24.819 -3.711 -5.401 1.00 0.00 O ATOM 768 CB LYS B 4 26.916 -2.635 -6.945 1.00 0.00 C ATOM 769 CG LYS B 4 28.186 -3.435 -6.704 1.00 0.00 C ATOM 770 CD LYS B 4 28.939 -3.690 -7.999 1.00 0.00 C ATOM 771 CE LYS B 4 30.127 -2.752 -8.146 1.00 0.00 C ATOM 772 NZ LYS B 4 30.549 -2.607 -9.567 1.00 0.00 N ATOM 0 H LYS B 4 28.085 -2.084 -4.467 1.00 0.00 H new ATOM 0 HA LYS B 4 25.758 -1.091 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS B 4 26.142 -3.303 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS B 4 27.105 -1.895 -7.723 1.00 0.00 H new ATOM 0 HG2 LYS B 4 28.829 -2.897 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.934 -4.386 -6.235 1.00 0.00 H new ATOM 0 HD2 LYS B 4 29.285 -4.723 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS B 4 28.264 -3.560 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS B 4 29.868 -1.773 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS B 4 30.962 -3.129 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 31.361 -1.960 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 30.820 -3.537 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 29.761 -2.223 -10.126 1.00 0.00 H new ATOM 786 N HIS B 5 25.666 -2.775 -3.539 1.00 0.00 N ATOM 787 CA HIS B 5 24.911 -3.632 -2.635 1.00 0.00 C ATOM 788 C HIS B 5 23.630 -2.936 -2.190 1.00 0.00 C ATOM 789 O HIS B 5 22.566 -3.555 -2.107 1.00 0.00 O ATOM 790 CB HIS B 5 25.759 -3.998 -1.415 1.00 0.00 C ATOM 791 CG HIS B 5 27.191 -4.284 -1.748 1.00 0.00 C ATOM 792 ND1 HIS B 5 27.587 -4.864 -2.935 1.00 0.00 N ATOM 793 CD2 HIS B 5 28.326 -4.067 -1.040 1.00 0.00 C ATOM 794 CE1 HIS B 5 28.902 -4.992 -2.943 1.00 0.00 C ATOM 795 NE2 HIS B 5 29.373 -4.516 -1.806 1.00 0.00 N ATOM 0 H HIS B 5 26.271 -2.099 -3.073 1.00 0.00 H new ATOM 0 HA HIS B 5 24.648 -4.546 -3.167 1.00 0.00 H new ATOM 0 HB2 HIS B 5 25.718 -3.181 -0.695 1.00 0.00 H new ATOM 0 HB3 HIS B 5 25.325 -4.872 -0.930 1.00 0.00 H new ATOM 0 HD2 HIS B 5 28.394 -3.624 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS B 5 29.491 -5.414 -3.744 1.00 0.00 H new ATOM 0 HE2 HIS B 5 30.357 -4.486 -1.539 1.00 0.00 H new ATOM 804 N HIS B 6 23.739 -1.641 -1.910 1.00 0.00 N ATOM 805 CA HIS B 6 22.592 -0.857 -1.480 1.00 0.00 C ATOM 806 C HIS B 6 21.535 -0.815 -2.574 1.00 0.00 C ATOM 807 O HIS B 6 20.348 -0.946 -2.298 1.00 0.00 O ATOM 808 CB HIS B 6 23.021 0.563 -1.108 1.00 0.00 C ATOM 809 CG HIS B 6 23.704 0.653 0.221 1.00 0.00 C ATOM 810 ND1 HIS B 6 23.929 -0.443 1.028 1.00 0.00 N ATOM 811 CD2 HIS B 6 24.215 1.718 0.884 1.00 0.00 C ATOM 812 CE1 HIS B 6 24.547 -0.055 2.130 1.00 0.00 C ATOM 813 NE2 HIS B 6 24.732 1.249 2.066 1.00 0.00 N ATOM 0 H HIS B 6 24.610 -1.115 -1.974 1.00 0.00 H new ATOM 0 HA HIS B 6 22.164 -1.334 -0.598 1.00 0.00 H new ATOM 0 HB2 HIS B 6 23.691 0.945 -1.878 1.00 0.00 H new ATOM 0 HB3 HIS B 6 22.143 1.209 -1.101 1.00 0.00 H new ATOM 0 HD2 HIS B 6 24.216 2.744 0.546 1.00 0.00 H new ATOM 0 HE1 HIS B 6 24.849 -0.697 2.944 1.00 0.00 H new ATOM 0 HE2 HIS B 6 25.186 1.818 2.780 1.00 0.00 H new ATOM 822 N GLU B 7 21.974 -0.642 -3.817 1.00 0.00 N ATOM 823 CA GLU B 7 21.059 -0.600 -4.948 1.00 0.00 C ATOM 824 C GLU B 7 20.306 -1.922 -5.073 1.00 0.00 C ATOM 825 O GLU B 7 19.206 -1.971 -5.622 1.00 0.00 O ATOM 826 CB GLU B 7 21.822 -0.308 -6.242 1.00 0.00 C ATOM 827 CG GLU B 7 23.125 -1.080 -6.367 1.00 0.00 C ATOM 828 CD GLU B 7 23.511 -1.343 -7.810 1.00 0.00 C ATOM 829 OE1 GLU B 7 23.091 -2.384 -8.356 1.00 0.00 O ATOM 830 OE2 GLU B 7 24.233 -0.507 -8.392 1.00 0.00 O ATOM 0 H GLU B 7 22.957 -0.529 -4.064 1.00 0.00 H new ATOM 0 HA GLU B 7 20.339 0.200 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU B 7 21.184 -0.548 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.035 0.760 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU B 7 23.923 -0.521 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU B 7 23.032 -2.030 -5.841 1.00 0.00 H new ATOM 837 N ASN B 8 20.906 -2.990 -4.552 1.00 0.00 N ATOM 838 CA ASN B 8 20.288 -4.311 -4.596 1.00 0.00 C ATOM 839 C ASN B 8 19.086 -4.366 -3.661 1.00 0.00 C ATOM 840 O ASN B 8 17.955 -4.579 -4.100 1.00 0.00 O ATOM 841 CB ASN B 8 21.304 -5.388 -4.209 1.00 0.00 C ATOM 842 CG ASN B 8 21.689 -6.267 -5.382 1.00 0.00 C ATOM 843 OD1 ASN B 8 20.828 -6.813 -6.072 1.00 0.00 O ATOM 844 ND2 ASN B 8 22.989 -6.409 -5.615 1.00 0.00 N ATOM 0 H ASN B 8 21.818 -2.966 -4.095 1.00 0.00 H new ATOM 0 HA ASN B 8 19.949 -4.499 -5.615 1.00 0.00 H new ATOM 0 HB2 ASN B 8 22.198 -4.912 -3.806 1.00 0.00 H new ATOM 0 HB3 ASN B 8 20.888 -6.008 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN B 8 23.308 -6.989 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN B 8 23.669 -5.938 -5.018 1.00 0.00 H new ATOM 851 N GLU B 9 19.333 -4.152 -2.372 1.00 0.00 N ATOM 852 CA GLU B 9 18.257 -4.157 -1.384 1.00 0.00 C ATOM 853 C GLU B 9 17.350 -2.937 -1.563 1.00 0.00 C ATOM 854 O GLU B 9 16.274 -2.856 -0.968 1.00 0.00 O ATOM 855 CB GLU B 9 18.837 -4.176 0.031 1.00 0.00 C ATOM 856 CG GLU B 9 19.358 -5.539 0.458 1.00 0.00 C ATOM 857 CD GLU B 9 20.516 -6.013 -0.399 1.00 0.00 C ATOM 858 OE1 GLU B 9 21.540 -5.300 -0.460 1.00 0.00 O ATOM 859 OE2 GLU B 9 20.399 -7.098 -1.007 1.00 0.00 O ATOM 0 H GLU B 9 20.261 -3.974 -1.988 1.00 0.00 H new ATOM 0 HA GLU B 9 17.660 -5.056 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.649 -3.451 0.092 1.00 0.00 H new ATOM 0 HB3 GLU B 9 18.069 -3.854 0.734 1.00 0.00 H new ATOM 0 HG2 GLU B 9 19.676 -5.493 1.499 1.00 0.00 H new ATOM 0 HG3 GLU B 9 18.549 -6.267 0.404 1.00 0.00 H new ATOM 866 N ILE B 10 17.793 -1.993 -2.393 1.00 0.00 N ATOM 867 CA ILE B 10 17.038 -0.780 -2.664 1.00 0.00 C ATOM 868 C ILE B 10 16.111 -0.996 -3.860 1.00 0.00 C ATOM 869 O ILE B 10 15.065 -0.360 -3.970 1.00 0.00 O ATOM 870 CB ILE B 10 18.011 0.409 -2.915 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.571 0.912 -1.583 1.00 0.00 C ATOM 872 CG2 ILE B 10 17.353 1.558 -3.672 1.00 0.00 C ATOM 873 CD1 ILE B 10 19.737 1.864 -1.739 1.00 0.00 C ATOM 0 H ILE B 10 18.681 -2.051 -2.892 1.00 0.00 H new ATOM 0 HA ILE B 10 16.423 -0.538 -1.797 1.00 0.00 H new ATOM 0 HB ILE B 10 18.820 0.036 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE B 10 17.776 1.411 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.888 0.057 -0.985 1.00 0.00 H new ATOM 0 HG21 ILE B 10 18.077 2.359 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE B 10 17.004 1.202 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE B 10 16.507 1.935 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.083 2.180 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.549 1.362 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE B 10 19.420 2.737 -2.310 1.00 0.00 H new ATOM 885 N SER B 11 16.495 -1.911 -4.741 1.00 0.00 N ATOM 886 CA SER B 11 15.686 -2.220 -5.909 1.00 0.00 C ATOM 887 C SER B 11 14.571 -3.180 -5.526 1.00 0.00 C ATOM 888 O SER B 11 13.492 -3.170 -6.121 1.00 0.00 O ATOM 889 CB SER B 11 16.552 -2.827 -7.014 1.00 0.00 C ATOM 890 OG SER B 11 16.894 -1.855 -7.987 1.00 0.00 O ATOM 0 H SER B 11 17.358 -2.449 -4.668 1.00 0.00 H new ATOM 0 HA SER B 11 15.246 -1.297 -6.286 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.460 -3.246 -6.580 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.017 -3.649 -7.489 1.00 0.00 H new ATOM 0 HG SER B 11 17.449 -2.268 -8.681 1.00 0.00 H new ATOM 896 N HIS B 12 14.836 -4.004 -4.517 1.00 0.00 N ATOM 897 CA HIS B 12 13.855 -4.963 -4.040 1.00 0.00 C ATOM 898 C HIS B 12 12.831 -4.258 -3.145 1.00 0.00 C ATOM 899 O HIS B 12 11.623 -4.412 -3.337 1.00 0.00 O ATOM 900 CB HIS B 12 14.578 -6.129 -3.330 1.00 0.00 C ATOM 901 CG HIS B 12 13.943 -6.618 -2.061 1.00 0.00 C ATOM 902 ND1 HIS B 12 14.188 -6.288 -0.776 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 12.936 -7.561 -2.030 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 13.337 -7.030 0.005 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 12.591 -7.789 -0.775 1.00 0.00 N flip ATOM 0 H HIS B 12 15.724 -4.024 -4.016 1.00 0.00 H new ATOM 0 HA HIS B 12 13.300 -5.390 -4.875 1.00 0.00 H new ATOM 0 HB2 HIS B 12 14.646 -6.966 -4.025 1.00 0.00 H new ATOM 0 HB3 HIS B 12 15.598 -5.816 -3.106 1.00 0.00 H new ATOM 0 HD2 HIS B 12 12.499 -8.037 -2.895 1.00 0.00 H new ATOM 0 HE1 HIS B 12 13.286 -6.998 1.083 1.00 0.00 H new ATOM 0 HE2 HIS B 12 11.871 -8.440 -0.463 1.00 0.00 H new ATOM 914 N HIS B 13 13.309 -3.462 -2.187 1.00 0.00 N ATOM 915 CA HIS B 13 12.401 -2.732 -1.310 1.00 0.00 C ATOM 916 C HIS B 13 11.664 -1.661 -2.102 1.00 0.00 C ATOM 917 O HIS B 13 10.558 -1.266 -1.743 1.00 0.00 O ATOM 918 CB HIS B 13 13.145 -2.067 -0.154 1.00 0.00 C ATOM 919 CG HIS B 13 13.898 -3.006 0.726 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.484 -4.291 1.004 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.045 -2.823 1.410 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.351 -4.860 1.824 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.309 -3.989 2.084 1.00 0.00 N ATOM 0 H HIS B 13 14.301 -3.310 -2.003 1.00 0.00 H new ATOM 0 HA HIS B 13 11.695 -3.453 -0.898 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.842 -1.335 -0.562 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.426 -1.518 0.454 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.645 -1.925 1.425 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.287 -5.865 2.214 1.00 0.00 H new ATOM 0 HE2 HIS B 13 16.114 -4.156 2.688 1.00 0.00 H new ATOM 932 N ALA B 14 12.291 -1.192 -3.179 1.00 0.00 N ATOM 933 CA ALA B 14 11.693 -0.165 -4.019 1.00 0.00 C ATOM 934 C ALA B 14 10.479 -0.717 -4.746 1.00 0.00 C ATOM 935 O ALA B 14 9.422 -0.086 -4.785 1.00 0.00 O ATOM 936 CB ALA B 14 12.712 0.369 -5.014 1.00 0.00 C ATOM 0 H ALA B 14 13.211 -1.508 -3.487 1.00 0.00 H new ATOM 0 HA ALA B 14 11.370 0.658 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.248 1.136 -5.634 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.556 0.800 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.064 -0.446 -5.647 1.00 0.00 H new ATOM 942 N LYS B 15 10.631 -1.909 -5.311 1.00 0.00 N ATOM 943 CA LYS B 15 9.540 -2.556 -6.022 1.00 0.00 C ATOM 944 C LYS B 15 8.472 -3.035 -5.042 1.00 0.00 C ATOM 945 O LYS B 15 7.327 -3.268 -5.428 1.00 0.00 O ATOM 946 CB LYS B 15 10.064 -3.736 -6.843 1.00 0.00 C ATOM 947 CG LYS B 15 9.024 -4.341 -7.770 1.00 0.00 C ATOM 948 CD LYS B 15 9.580 -4.557 -9.168 1.00 0.00 C ATOM 949 CE LYS B 15 8.513 -5.077 -10.118 1.00 0.00 C ATOM 950 NZ LYS B 15 7.203 -4.406 -9.901 1.00 0.00 N ATOM 0 H LYS B 15 11.499 -2.445 -5.290 1.00 0.00 H new ATOM 0 HA LYS B 15 9.093 -1.828 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.918 -3.406 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.426 -4.508 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.682 -5.292 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS B 15 8.155 -3.685 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS B 15 9.982 -3.619 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS B 15 10.408 -5.265 -9.126 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.835 -4.920 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.397 -6.152 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.598 -4.549 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.740 -4.812 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.355 -3.388 -9.754 1.00 0.00 H new ATOM 964 N GLU B 16 8.852 -3.182 -3.773 1.00 0.00 N ATOM 965 CA GLU B 16 7.922 -3.636 -2.746 1.00 0.00 C ATOM 966 C GLU B 16 7.031 -2.498 -2.254 1.00 0.00 C ATOM 967 O GLU B 16 5.859 -2.711 -1.950 1.00 0.00 O ATOM 968 CB GLU B 16 8.688 -4.244 -1.569 1.00 0.00 C ATOM 969 CG GLU B 16 8.472 -5.740 -1.412 1.00 0.00 C ATOM 970 CD GLU B 16 9.769 -6.499 -1.221 1.00 0.00 C ATOM 971 OE1 GLU B 16 10.816 -6.015 -1.699 1.00 0.00 O ATOM 972 OE2 GLU B 16 9.738 -7.579 -0.593 1.00 0.00 O ATOM 0 H GLU B 16 9.796 -2.993 -3.435 1.00 0.00 H new ATOM 0 HA GLU B 16 7.282 -4.397 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.753 -4.051 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.384 -3.743 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU B 16 7.820 -5.921 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.957 -6.123 -2.293 1.00 0.00 H new ATOM 979 N ILE B 17 7.584 -1.290 -2.176 1.00 0.00 N ATOM 980 CA ILE B 17 6.815 -0.137 -1.721 1.00 0.00 C ATOM 981 C ILE B 17 5.943 0.403 -2.849 1.00 0.00 C ATOM 982 O ILE B 17 4.837 0.894 -2.613 1.00 0.00 O ATOM 983 CB ILE B 17 7.741 0.980 -1.189 1.00 0.00 C ATOM 984 CG1 ILE B 17 6.926 2.226 -0.795 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.823 1.316 -2.208 1.00 0.00 C ATOM 986 CD1 ILE B 17 6.657 3.202 -1.928 1.00 0.00 C ATOM 0 H ILE B 17 8.553 -1.086 -2.420 1.00 0.00 H new ATOM 0 HA ILE B 17 6.174 -0.468 -0.904 1.00 0.00 H new ATOM 0 HB ILE B 17 8.238 0.616 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE B 17 5.971 1.901 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE B 17 7.456 2.752 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.463 2.105 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.423 0.428 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.358 1.656 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.077 4.045 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.604 3.563 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE B 17 6.096 2.699 -2.716 1.00 0.00 H new ATOM 998 N GLU B 18 6.440 0.295 -4.076 1.00 0.00 N ATOM 999 CA GLU B 18 5.700 0.760 -5.241 1.00 0.00 C ATOM 1000 C GLU B 18 4.654 -0.269 -5.655 1.00 0.00 C ATOM 1001 O GLU B 18 3.597 0.082 -6.181 1.00 0.00 O ATOM 1002 CB GLU B 18 6.655 1.033 -6.405 1.00 0.00 C ATOM 1003 CG GLU B 18 6.902 2.512 -6.654 1.00 0.00 C ATOM 1004 CD GLU B 18 5.990 3.084 -7.720 1.00 0.00 C ATOM 1005 OE1 GLU B 18 5.636 2.342 -8.660 1.00 0.00 O ATOM 1006 OE2 GLU B 18 5.629 4.275 -7.616 1.00 0.00 O ATOM 0 H GLU B 18 7.352 -0.110 -4.289 1.00 0.00 H new ATOM 0 HA GLU B 18 5.193 1.688 -4.977 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.608 0.542 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.249 0.583 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.758 3.062 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.940 2.658 -6.953 1.00 0.00 H new ATOM 1013 N ARG B 19 4.954 -1.541 -5.410 1.00 0.00 N ATOM 1014 CA ARG B 19 4.035 -2.619 -5.753 1.00 0.00 C ATOM 1015 C ARG B 19 2.899 -2.699 -4.744 1.00 0.00 C ATOM 1016 O ARG B 19 1.748 -2.935 -5.109 1.00 0.00 O ATOM 1017 CB ARG B 19 4.776 -3.956 -5.815 1.00 0.00 C ATOM 1018 CG ARG B 19 3.860 -5.151 -6.016 1.00 0.00 C ATOM 1019 CD ARG B 19 3.785 -6.012 -4.764 1.00 0.00 C ATOM 1020 NE ARG B 19 3.727 -7.436 -5.081 1.00 0.00 N ATOM 1021 CZ ARG B 19 4.707 -8.094 -5.693 1.00 0.00 C ATOM 1022 NH1 ARG B 19 5.813 -7.457 -6.051 1.00 0.00 N ATOM 1023 NH2 ARG B 19 4.580 -9.389 -5.947 1.00 0.00 N ATOM 0 H ARG B 19 5.824 -1.849 -4.976 1.00 0.00 H new ATOM 0 HA ARG B 19 3.613 -2.405 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.500 -3.923 -6.629 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.340 -4.092 -4.892 1.00 0.00 H new ATOM 0 HG2 ARG B 19 2.861 -4.805 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG B 19 4.221 -5.751 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.654 -5.816 -4.137 1.00 0.00 H new ATOM 0 HD3 ARG B 19 2.905 -5.734 -4.185 1.00 0.00 H new ATOM 0 HE ARG B 19 2.889 -7.954 -4.819 1.00 0.00 H new ATOM 0 HH11 ARG B 19 5.913 -6.461 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG B 19 6.564 -7.963 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.730 -9.882 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG B 19 5.332 -9.893 -6.417 1.00 0.00 H new ATOM 1037 N LEU B 20 3.221 -2.486 -3.473 1.00 0.00 N ATOM 1038 CA LEU B 20 2.209 -2.524 -2.432 1.00 0.00 C ATOM 1039 C LEU B 20 1.316 -1.297 -2.538 1.00 0.00 C ATOM 1040 O LEU B 20 0.122 -1.357 -2.252 1.00 0.00 O ATOM 1041 CB LEU B 20 2.858 -2.591 -1.049 1.00 0.00 C ATOM 1042 CG LEU B 20 3.687 -3.848 -0.781 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.719 -3.585 0.304 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.783 -5.007 -0.390 1.00 0.00 C ATOM 0 H LEU B 20 4.166 -2.287 -3.144 1.00 0.00 H new ATOM 0 HA LEU B 20 1.602 -3.420 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.499 -1.718 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.075 -2.523 -0.294 1.00 0.00 H new ATOM 0 HG LEU B 20 4.214 -4.116 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.299 -4.490 0.481 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.385 -2.783 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.213 -3.292 1.224 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.389 -5.894 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.230 -4.748 0.513 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.082 -5.211 -1.199 1.00 0.00 H new ATOM 1056 N GLN B 21 1.908 -0.184 -2.965 1.00 0.00 N ATOM 1057 CA GLN B 21 1.172 1.062 -3.122 1.00 0.00 C ATOM 1058 C GLN B 21 0.105 0.929 -4.203 1.00 0.00 C ATOM 1059 O GLN B 21 -1.038 1.341 -4.012 1.00 0.00 O ATOM 1060 CB GLN B 21 2.129 2.204 -3.470 1.00 0.00 C ATOM 1061 CG GLN B 21 2.590 3.001 -2.261 1.00 0.00 C ATOM 1062 CD GLN B 21 2.336 4.488 -2.413 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.894 5.153 -1.476 1.00 0.00 O ATOM 1064 NE2 GLN B 21 2.617 5.019 -3.597 1.00 0.00 N ATOM 0 H GLN B 21 2.897 -0.122 -3.208 1.00 0.00 H new ATOM 0 HA GLN B 21 0.680 1.287 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.001 1.794 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.638 2.877 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.075 2.637 -1.372 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.655 2.832 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN B 21 2.982 4.431 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.468 6.015 -3.757 1.00 0.00 H new ATOM 1073 N LYS B 22 0.481 0.349 -5.340 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.458 0.166 -6.441 1.00 0.00 C ATOM 1075 C LYS B 22 -1.617 -0.728 -6.010 1.00 0.00 C ATOM 1076 O LYS B 22 -2.774 -0.470 -6.347 1.00 0.00 O ATOM 1077 CB LYS B 22 0.248 -0.436 -7.658 1.00 0.00 C ATOM 1078 CG LYS B 22 0.959 -1.747 -7.367 1.00 0.00 C ATOM 1079 CD LYS B 22 1.352 -2.464 -8.648 1.00 0.00 C ATOM 1080 CE LYS B 22 0.847 -3.898 -8.659 1.00 0.00 C ATOM 1081 NZ LYS B 22 1.594 -4.742 -9.632 1.00 0.00 N ATOM 0 H LYS B 22 1.422 0.000 -5.522 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.853 1.143 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -0.485 -0.598 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.973 0.283 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS B 22 1.850 -1.554 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.310 -2.390 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS B 22 0.947 -1.927 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS B 22 2.437 -2.458 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS B 22 0.943 -4.324 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -0.214 -3.907 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 1.220 -5.712 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 1.482 -4.350 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 2.603 -4.754 -9.378 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.298 -1.777 -5.258 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.314 -2.705 -4.775 1.00 0.00 C ATOM 1097 C GLU B 23 -3.344 -1.980 -3.915 1.00 0.00 C ATOM 1098 O GLU B 23 -4.550 -2.208 -4.043 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.665 -3.834 -3.974 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.676 -5.174 -4.690 1.00 0.00 C ATOM 1101 CD GLU B 23 -2.289 -6.279 -3.851 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -3.533 -6.350 -3.781 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.523 -7.072 -3.264 1.00 0.00 O ATOM 0 H GLU B 23 -0.346 -2.005 -4.971 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.823 -3.131 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.634 -3.561 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.184 -3.937 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.233 -5.079 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -0.655 -5.448 -4.955 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.867 -1.099 -3.038 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.760 -0.346 -2.166 1.00 0.00 C ATOM 1112 C ILE B 24 -4.667 0.557 -3.000 1.00 0.00 C ATOM 1113 O ILE B 24 -5.808 0.829 -2.626 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.983 0.483 -1.096 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.635 1.896 -1.584 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.716 -0.243 -0.671 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.600 2.947 -1.083 1.00 0.00 C ATOM 0 H ILE B 24 -1.876 -0.892 -2.914 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.373 -1.065 -1.622 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.648 0.587 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.627 2.150 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.628 1.907 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.189 0.352 0.075 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.977 -1.212 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -1.072 -0.390 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.302 3.925 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.606 2.714 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.589 2.961 0.007 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.144 1.009 -4.138 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.898 1.872 -5.036 1.00 0.00 C ATOM 1131 C GLU B 25 -6.131 1.143 -5.551 1.00 0.00 C ATOM 1132 O GLU B 25 -7.224 1.705 -5.595 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.024 2.316 -6.211 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.664 3.391 -7.074 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.372 3.204 -8.549 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.183 3.249 -8.930 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -5.332 3.014 -9.326 1.00 0.00 O ATOM 0 H GLU B 25 -3.200 0.790 -4.458 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.214 2.756 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.075 2.688 -5.826 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.798 1.450 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.743 3.383 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.303 4.369 -6.757 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.948 -0.119 -5.926 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.049 -0.931 -6.423 1.00 0.00 C ATOM 1146 C ARG B 26 -8.148 -1.022 -5.370 1.00 0.00 C ATOM 1147 O ARG B 26 -9.323 -0.777 -5.656 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.557 -2.332 -6.790 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.589 -3.164 -7.535 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.876 -4.471 -6.814 1.00 0.00 C ATOM 1151 NE ARG B 26 -7.010 -5.552 -7.274 1.00 0.00 N ATOM 1152 CZ ARG B 26 -7.273 -6.840 -7.078 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -8.373 -7.204 -6.436 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -6.435 -7.766 -7.527 1.00 0.00 N ATOM 0 H ARG B 26 -5.049 -0.599 -5.895 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.453 -0.459 -7.318 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.661 -2.244 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.268 -2.857 -5.879 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.512 -2.594 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.230 -3.374 -8.543 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -7.741 -4.330 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -8.918 -4.750 -6.971 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.156 -5.305 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -9.020 -6.495 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -8.573 -8.193 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -5.588 -7.490 -8.023 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.638 -8.754 -7.376 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.755 -1.362 -4.146 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.706 -1.471 -3.049 1.00 0.00 C ATOM 1170 C HIS B 27 -9.306 -0.106 -2.718 1.00 0.00 C ATOM 1171 O HIS B 27 -10.380 -0.021 -2.126 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.029 -2.063 -1.812 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.104 -3.558 -1.752 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -7.149 -4.502 -1.927 1.00 0.00 N flip ATOM 1175 CD2 HIS B 27 -9.273 -4.242 -1.485 1.00 0.00 C flip ATOM 1176 CE1 HIS B 27 -7.753 -5.725 -1.766 1.00 0.00 C flip ATOM 1177 NE2 HIS B 27 -9.033 -5.541 -1.499 1.00 0.00 N flip ATOM 0 H HIS B 27 -6.789 -1.566 -3.891 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.511 -2.137 -3.360 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.983 -1.758 -1.798 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.494 -1.647 -0.918 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -10.233 -3.786 -1.294 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -7.260 -6.683 -1.845 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -9.720 -6.277 -1.332 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.608 0.958 -3.113 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.077 2.317 -2.864 1.00 0.00 C ATOM 1188 C LYS B 28 -10.205 2.679 -3.826 1.00 0.00 C ATOM 1189 O LYS B 28 -11.119 3.425 -3.476 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.926 3.315 -3.008 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.374 4.770 -2.986 1.00 0.00 C ATOM 1192 CD LYS B 28 -7.261 5.724 -3.393 1.00 0.00 C ATOM 1193 CE LYS B 28 -6.541 5.269 -4.654 1.00 0.00 C ATOM 1194 NZ LYS B 28 -5.991 6.418 -5.424 1.00 0.00 N ATOM 0 H LYS B 28 -7.717 0.903 -3.606 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.458 2.365 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.211 3.151 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.401 3.119 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.222 4.897 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.721 5.026 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.679 6.718 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.542 5.809 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -5.731 4.591 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.231 4.707 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.508 6.514 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.097 7.291 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.983 6.253 -5.621 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.127 2.149 -5.038 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.140 2.413 -6.052 1.00 0.00 C ATOM 1210 C GLN B 29 -12.440 1.698 -5.706 1.00 0.00 C ATOM 1211 O GLN B 29 -13.530 2.234 -5.912 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.645 1.964 -7.428 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.641 2.223 -8.546 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.268 1.515 -9.834 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -12.092 0.831 -10.441 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.019 1.676 -10.258 1.00 0.00 N ATOM 0 H GLN B 29 -9.373 1.534 -5.344 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.328 3.486 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.713 2.481 -7.656 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.419 0.898 -7.394 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.631 1.895 -8.229 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.704 3.295 -8.730 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -9.369 2.252 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.710 1.224 -11.118 1.00 0.00 H new ATOM 1225 N SER B 30 -12.318 0.484 -5.178 1.00 0.00 N ATOM 1226 CA SER B 30 -13.486 -0.306 -4.800 1.00 0.00 C ATOM 1227 C SER B 30 -14.168 0.275 -3.563 1.00 0.00 C ATOM 1228 O SER B 30 -15.394 0.340 -3.493 1.00 0.00 O ATOM 1229 CB SER B 30 -13.083 -1.759 -4.540 1.00 0.00 C ATOM 1230 OG SER B 30 -13.325 -2.568 -5.678 1.00 0.00 O ATOM 0 H SER B 30 -11.424 0.026 -5.002 1.00 0.00 H new ATOM 0 HA SER B 30 -14.194 -0.274 -5.628 1.00 0.00 H new ATOM 0 HB2 SER B 30 -12.026 -1.805 -4.276 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.642 -2.148 -3.689 1.00 0.00 H new ATOM 0 HG SER B 30 -13.057 -3.491 -5.486 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.364 0.692 -2.590 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.888 1.266 -1.355 1.00 0.00 C ATOM 1238 C ILE B 31 -14.401 2.685 -1.582 1.00 0.00 C ATOM 1239 O ILE B 31 -15.260 3.172 -0.846 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.810 1.273 -0.251 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.331 1.910 1.035 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.567 2.000 -0.731 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.248 1.010 1.827 1.00 0.00 C ATOM 0 H ILE B 31 -12.346 0.643 -2.633 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.721 0.641 -1.032 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.553 0.237 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -12.484 2.192 1.660 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.863 2.828 0.786 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.816 1.997 0.059 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.169 1.497 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -11.822 3.029 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.579 1.529 2.727 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.114 0.748 1.220 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.714 0.102 2.107 1.00 0.00 H new ATOM 1255 N LYS B 32 -13.881 3.339 -2.617 1.00 0.00 N ATOM 1256 CA LYS B 32 -14.295 4.698 -2.947 1.00 0.00 C ATOM 1257 C LYS B 32 -15.596 4.685 -3.741 1.00 0.00 C ATOM 1258 O LYS B 32 -16.408 5.605 -3.638 1.00 0.00 O ATOM 1259 CB LYS B 32 -13.202 5.409 -3.747 1.00 0.00 C ATOM 1260 CG LYS B 32 -13.506 6.873 -4.024 1.00 0.00 C ATOM 1261 CD LYS B 32 -12.466 7.495 -4.942 1.00 0.00 C ATOM 1262 CE LYS B 32 -11.057 7.291 -4.405 1.00 0.00 C ATOM 1263 NZ LYS B 32 -10.180 8.459 -4.693 1.00 0.00 N ATOM 0 H LYS B 32 -13.173 2.950 -3.240 1.00 0.00 H new ATOM 0 HA LYS B 32 -14.460 5.240 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -12.261 5.339 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.061 4.890 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -14.493 6.961 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.538 7.423 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.546 7.054 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -12.665 8.561 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.099 7.125 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.625 6.394 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -9.229 8.281 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.119 8.602 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.578 9.310 -4.248 1.00 0.00 H new ATOM 1277 N LYS B 33 -15.792 3.632 -4.529 1.00 0.00 N ATOM 1278 CA LYS B 33 -16.997 3.495 -5.335 1.00 0.00 C ATOM 1279 C LYS B 33 -18.181 3.089 -4.464 1.00 0.00 C ATOM 1280 O LYS B 33 -19.308 3.535 -4.680 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.783 2.460 -6.441 1.00 0.00 C ATOM 1282 CG LYS B 33 -17.846 2.501 -7.527 1.00 0.00 C ATOM 1283 CD LYS B 33 -17.638 3.679 -8.465 1.00 0.00 C ATOM 1284 CE LYS B 33 -17.999 3.320 -9.898 1.00 0.00 C ATOM 1285 NZ LYS B 33 -17.102 3.989 -10.881 1.00 0.00 N ATOM 0 H LYS B 33 -15.130 2.862 -4.625 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.214 4.460 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.805 2.622 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.767 1.465 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.822 1.572 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.833 2.569 -7.069 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -18.247 4.520 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.598 4.002 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -17.938 2.239 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -19.032 3.607 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -17.381 3.719 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.179 5.021 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -16.119 3.695 -10.710 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.915 2.242 -3.475 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.954 1.777 -2.566 1.00 0.00 C ATOM 1301 C LEU B 34 -19.364 2.888 -1.603 1.00 0.00 C ATOM 1302 O LEU B 34 -20.542 3.037 -1.277 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.467 0.556 -1.783 1.00 0.00 C ATOM 1304 CG LEU B 34 -19.527 -0.518 -1.530 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -20.827 0.112 -1.056 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.759 -1.342 -2.787 1.00 0.00 C ATOM 0 H LEU B 34 -16.987 1.864 -3.283 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.824 1.493 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.636 0.104 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.076 0.892 -0.823 1.00 0.00 H new ATOM 0 HG LEU B 34 -19.164 -1.181 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -21.567 -0.669 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -20.650 0.658 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -21.197 0.799 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -20.516 -2.101 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -20.100 -0.690 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -18.828 -1.826 -3.082 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.385 3.668 -1.154 1.00 0.00 N ATOM 1319 CA LYS B 35 -18.648 4.767 -0.233 1.00 0.00 C ATOM 1320 C LYS B 35 -19.250 5.956 -0.973 1.00 0.00 C ATOM 1321 O LYS B 35 -19.979 6.759 -0.391 1.00 0.00 O ATOM 1322 CB LYS B 35 -17.360 5.189 0.476 1.00 0.00 C ATOM 1323 CG LYS B 35 -17.569 6.269 1.524 1.00 0.00 C ATOM 1324 CD LYS B 35 -18.283 5.726 2.750 1.00 0.00 C ATOM 1325 CE LYS B 35 -17.305 5.413 3.871 1.00 0.00 C ATOM 1326 NZ LYS B 35 -16.778 6.651 4.510 1.00 0.00 N ATOM 0 H LYS B 35 -17.404 3.559 -1.413 1.00 0.00 H new ATOM 0 HA LYS B 35 -19.364 4.422 0.513 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -16.913 4.315 0.951 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -16.647 5.548 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -16.605 6.684 1.817 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -18.150 7.086 1.095 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -19.016 6.454 3.098 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -18.832 4.823 2.482 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -17.800 4.798 4.623 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -16.475 4.827 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -16.310 6.407 5.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -16.092 7.105 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -17.563 7.307 4.697 1.00 0.00 H new ATOM 1340 N GLN B 36 -18.940 6.059 -2.262 1.00 0.00 N ATOM 1341 CA GLN B 36 -19.453 7.148 -3.084 1.00 0.00 C ATOM 1342 C GLN B 36 -20.895 6.878 -3.499 1.00 0.00 C ATOM 1343 O GLN B 36 -21.663 7.804 -3.753 1.00 0.00 O ATOM 1344 CB GLN B 36 -18.579 7.332 -4.327 1.00 0.00 C ATOM 1345 CG GLN B 36 -17.341 8.179 -4.081 1.00 0.00 C ATOM 1346 CD GLN B 36 -16.446 8.273 -5.301 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -16.639 7.556 -6.282 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -15.458 9.158 -5.243 1.00 0.00 N ATOM 0 H GLN B 36 -18.337 5.403 -2.758 1.00 0.00 H new ATOM 0 HA GLN B 36 -19.427 8.063 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -18.272 6.352 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -19.174 7.794 -5.114 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -17.645 9.182 -3.780 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -16.775 7.756 -3.251 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -15.336 9.732 -4.409 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -14.821 9.264 -6.033 1.00 0.00 H new ATOM 1357 N SER B 37 -21.255 5.599 -3.561 1.00 0.00 N ATOM 1358 CA SER B 37 -22.606 5.204 -3.941 1.00 0.00 C ATOM 1359 C SER B 37 -23.595 5.502 -2.819 1.00 0.00 C ATOM 1360 O SER B 37 -24.765 5.790 -3.070 1.00 0.00 O ATOM 1361 CB SER B 37 -22.645 3.715 -4.289 1.00 0.00 C ATOM 1362 OG SER B 37 -22.499 2.916 -3.129 1.00 0.00 O ATOM 0 H SER B 37 -20.630 4.820 -3.353 1.00 0.00 H new ATOM 0 HA SER B 37 -22.894 5.783 -4.818 1.00 0.00 H new ATOM 0 HB2 SER B 37 -23.588 3.478 -4.781 1.00 0.00 H new ATOM 0 HB3 SER B 37 -21.849 3.483 -4.997 1.00 0.00 H new ATOM 0 HG SER B 37 -21.691 3.186 -2.645 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.117 5.432 -1.581 1.00 0.00 N ATOM 1369 CA GLU B 38 -23.960 5.695 -0.421 1.00 0.00 C ATOM 1370 C GLU B 38 -24.257 7.186 -0.292 1.00 0.00 C ATOM 1371 O GLU B 38 -25.275 7.579 0.277 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.283 5.186 0.854 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.072 5.476 2.120 1.00 0.00 C ATOM 1374 CD GLU B 38 -25.546 5.149 1.977 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -25.864 4.068 1.438 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -26.381 5.973 2.403 1.00 0.00 O ATOM 0 H GLU B 38 -22.151 5.195 -1.356 1.00 0.00 H new ATOM 0 HA GLU B 38 -24.902 5.165 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -23.131 4.110 0.770 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -22.297 5.642 0.938 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -23.654 4.898 2.944 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.961 6.529 2.380 1.00 0.00 H new ATOM 1383 N ASP B 39 -23.361 8.011 -0.826 1.00 0.00 N ATOM 1384 CA ASP B 39 -23.527 9.458 -0.773 1.00 0.00 C ATOM 1385 C ASP B 39 -23.131 10.100 -2.098 1.00 0.00 C ATOM 1386 O ASP B 39 -22.502 11.158 -2.123 1.00 0.00 O ATOM 1387 CB ASP B 39 -22.689 10.047 0.364 1.00 0.00 C ATOM 1388 CG ASP B 39 -23.187 11.411 0.803 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -23.763 12.132 -0.039 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -23.001 11.757 1.988 1.00 0.00 O ATOM 0 H ASP B 39 -22.513 7.701 -1.300 1.00 0.00 H new ATOM 0 HA ASP B 39 -24.580 9.672 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -22.706 9.366 1.215 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -21.651 10.129 0.042 1.00 0.00 H new ATOM 1395 N ASP B 40 -23.499 9.452 -3.197 1.00 0.00 N ATOM 1396 CA ASP B 40 -23.182 9.958 -4.527 1.00 0.00 C ATOM 1397 C ASP B 40 -23.895 11.280 -4.792 1.00 0.00 C ATOM 1398 O ASP B 40 -24.992 11.516 -4.287 1.00 0.00 O ATOM 1399 CB ASP B 40 -23.571 8.932 -5.593 1.00 0.00 C ATOM 1400 CG ASP B 40 -22.818 9.135 -6.893 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -21.781 9.830 -6.877 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -23.266 8.597 -7.928 1.00 0.00 O ATOM 0 H ASP B 40 -24.018 8.574 -3.193 1.00 0.00 H new ATOM 0 HA ASP B 40 -22.107 10.131 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -23.375 7.928 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -24.642 8.998 -5.783 1.00 0.00 H new ATOM 1407 N ASP B 41 -23.264 12.137 -5.587 1.00 0.00 N ATOM 1408 CA ASP B 41 -23.839 13.436 -5.920 1.00 0.00 C ATOM 1409 C ASP B 41 -24.383 13.441 -7.344 1.00 0.00 C ATOM 1410 O ASP B 41 -25.571 13.784 -7.522 1.00 0.00 O ATOM 1411 CB ASP B 41 -22.789 14.538 -5.758 1.00 0.00 C ATOM 1412 CG ASP B 41 -23.228 15.616 -4.788 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -23.646 15.268 -3.663 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -23.153 16.809 -5.151 1.00 0.00 O ATOM 1415 OXT ASP B 41 -23.617 13.103 -8.270 1.00 0.00 O ATOM 0 H ASP B 41 -22.355 11.956 -6.013 1.00 0.00 H new ATOM 0 HA ASP B 41 -24.665 13.627 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -21.855 14.098 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -22.586 14.988 -6.730 1.00 0.00 H new TER 1420 ASP B 41