USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 HIS : no HD1:sc= -3.03 K(o=-15,f=-14) USER MOD Set 1.2: B 12 HIS : no HE2:sc= -4.69! K(o=-15!,f=-14) USER MOD Set 1.3: B 13 HIS : no HE2:sc= -7.13! C(o=-15!,f=-14!) USER MOD Set 2.1: A 12 HIS : no HE2:sc= -4.77! K(o=-15!,f=-14) USER MOD Set 2.2: A 13 HIS : no HE2:sc= -7.14! C(o=-15!,f=-14!) USER MOD Set 2.3: B 27 HIS : no HD1:sc= -2.98 K(o=-15,f=-14) USER MOD Single : A 1 ALA N :NH3+ -130:sc= 0.111 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.544 K(o=-0.54,f=-1.1!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=-0.34) USER MOD Single : A 8 ASN : amide:sc= -0.0703 X(o=-0.07,f=-0.51) USER MOD Single : A 11 SER OG : rot -60:sc= 0.492 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0.00744 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -118:sc= 0.102 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.548 K(o=-0.55,f=-1.1) USER MOD Single : B 6 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=-0.28) USER MOD Single : B 8 ASN : amide:sc= -0.0705 X(o=-0.071,f=-0.38) USER MOD Single : B 11 SER OG : rot -59:sc= 0.491 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0.0119 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.7!) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -33.240 2.721 9.012 1.00 0.00 N ATOM 2 CA ALA A 1 -32.199 2.314 8.033 1.00 0.00 C ATOM 3 C ALA A 1 -32.641 1.088 7.241 1.00 0.00 C ATOM 4 O ALA A 1 -33.735 0.563 7.452 1.00 0.00 O ATOM 5 CB ALA A 1 -30.885 2.034 8.747 1.00 0.00 C ATOM 0 H1 ALA A 1 -33.429 3.739 8.914 1.00 0.00 H new ATOM 0 H2 ALA A 1 -34.114 2.187 8.831 1.00 0.00 H new ATOM 0 H3 ALA A 1 -32.906 2.522 9.977 1.00 0.00 H new ATOM 0 HA ALA A 1 -32.053 3.136 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -30.131 1.737 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.554 2.934 9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -31.028 1.231 9.470 1.00 0.00 H new ATOM 13 N LEU A 2 -31.785 0.636 6.331 1.00 0.00 N ATOM 14 CA LEU A 2 -32.088 -0.529 5.508 1.00 0.00 C ATOM 15 C LEU A 2 -30.931 -0.844 4.565 1.00 0.00 C ATOM 16 O LEU A 2 -30.248 0.060 4.080 1.00 0.00 O ATOM 17 CB LEU A 2 -33.368 -0.293 4.704 1.00 0.00 C ATOM 18 CG LEU A 2 -33.312 0.886 3.731 1.00 0.00 C ATOM 19 CD1 LEU A 2 -33.905 0.494 2.385 1.00 0.00 C ATOM 20 CD2 LEU A 2 -34.045 2.088 4.308 1.00 0.00 C ATOM 0 H LEU A 2 -30.876 1.059 6.145 1.00 0.00 H new ATOM 0 HA LEU A 2 -32.236 -1.382 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -33.598 -1.198 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -34.192 -0.132 5.400 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.268 1.160 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -33.857 1.344 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -33.339 -0.338 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -34.944 0.194 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -33.995 2.918 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -35.088 1.826 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -33.578 2.382 5.248 1.00 0.00 H new ATOM 32 N LYS A 3 -30.718 -2.129 4.307 1.00 0.00 N ATOM 33 CA LYS A 3 -29.645 -2.563 3.420 1.00 0.00 C ATOM 34 C LYS A 3 -28.281 -2.303 4.050 1.00 0.00 C ATOM 35 O LYS A 3 -27.765 -1.186 4.000 1.00 0.00 O ATOM 36 CB LYS A 3 -29.744 -1.842 2.074 1.00 0.00 C ATOM 37 CG LYS A 3 -29.410 -2.725 0.883 1.00 0.00 C ATOM 38 CD LYS A 3 -29.959 -2.147 -0.410 1.00 0.00 C ATOM 39 CE LYS A 3 -30.912 -3.115 -1.093 1.00 0.00 C ATOM 40 NZ LYS A 3 -31.607 -2.487 -2.250 1.00 0.00 N ATOM 0 H LYS A 3 -31.274 -2.889 4.699 1.00 0.00 H new ATOM 0 HA LYS A 3 -29.752 -3.636 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -30.755 -1.452 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -29.070 -0.985 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.329 -2.836 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.822 -3.722 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -30.478 -1.211 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -29.135 -1.911 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.358 -3.990 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -31.651 -3.466 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.247 -3.180 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.156 -1.667 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.904 -2.175 -2.950 1.00 0.00 H new ATOM 54 N LYS A 4 -27.700 -3.343 4.641 1.00 0.00 N ATOM 55 CA LYS A 4 -26.395 -3.227 5.281 1.00 0.00 C ATOM 56 C LYS A 4 -25.350 -4.061 4.547 1.00 0.00 C ATOM 57 O LYS A 4 -24.340 -4.459 5.127 1.00 0.00 O ATOM 58 CB LYS A 4 -26.480 -3.666 6.744 1.00 0.00 C ATOM 59 CG LYS A 4 -27.446 -2.836 7.574 1.00 0.00 C ATOM 60 CD LYS A 4 -26.810 -2.378 8.875 1.00 0.00 C ATOM 61 CE LYS A 4 -27.622 -1.273 9.532 1.00 0.00 C ATOM 62 NZ LYS A 4 -26.873 -0.618 10.641 1.00 0.00 N ATOM 0 H LYS A 4 -28.112 -4.275 4.690 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.091 -2.181 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -26.786 -4.711 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -25.487 -3.607 7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -27.768 -1.967 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -28.338 -3.423 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -26.725 -3.224 9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -25.798 -2.022 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -27.891 -0.526 8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -28.553 -1.687 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -27.461 0.129 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -26.638 -1.325 11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -25.996 -0.200 10.269 1.00 0.00 H new ATOM 76 N HIS A 5 -25.599 -4.322 3.267 1.00 0.00 N ATOM 77 CA HIS A 5 -24.677 -5.108 2.455 1.00 0.00 C ATOM 78 C HIS A 5 -23.491 -4.258 2.012 1.00 0.00 C ATOM 79 O HIS A 5 -22.352 -4.729 1.978 1.00 0.00 O ATOM 80 CB HIS A 5 -25.398 -5.678 1.233 1.00 0.00 C ATOM 81 CG HIS A 5 -26.800 -6.120 1.518 1.00 0.00 C ATOM 82 ND1 HIS A 5 -27.212 -6.566 2.756 1.00 0.00 N ATOM 83 CD2 HIS A 5 -27.889 -6.182 0.716 1.00 0.00 C ATOM 84 CE1 HIS A 5 -28.494 -6.885 2.704 1.00 0.00 C ATOM 85 NE2 HIS A 5 -28.927 -6.661 1.477 1.00 0.00 N ATOM 0 H HIS A 5 -26.430 -4.001 2.771 1.00 0.00 H new ATOM 0 HA HIS A 5 -24.305 -5.933 3.063 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -25.416 -4.923 0.447 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.830 -6.525 0.848 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -27.933 -5.906 -0.327 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -29.086 -7.264 3.524 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -29.879 -6.818 1.147 1.00 0.00 H new ATOM 94 N HIS A 6 -23.764 -3.002 1.676 1.00 0.00 N ATOM 95 CA HIS A 6 -22.718 -2.088 1.238 1.00 0.00 C ATOM 96 C HIS A 6 -21.687 -1.894 2.339 1.00 0.00 C ATOM 97 O HIS A 6 -20.501 -2.114 2.124 1.00 0.00 O ATOM 98 CB HIS A 6 -23.317 -0.739 0.833 1.00 0.00 C ATOM 99 CG HIS A 6 -24.145 -0.803 -0.413 1.00 0.00 C ATOM 100 ND1 HIS A 6 -24.432 -1.983 -1.068 1.00 0.00 N ATOM 101 CD2 HIS A 6 -24.750 0.177 -1.125 1.00 0.00 C ATOM 102 CE1 HIS A 6 -25.176 -1.726 -2.129 1.00 0.00 C ATOM 103 NE2 HIS A 6 -25.383 -0.424 -2.186 1.00 0.00 N ATOM 0 H HIS A 6 -24.699 -2.595 1.699 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.225 -2.524 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.933 -0.364 1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.510 -0.021 0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.737 1.233 -0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -25.551 -2.457 -2.830 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -25.926 0.059 -2.902 1.00 0.00 H new ATOM 112 N GLU A 7 -22.148 -1.490 3.517 1.00 0.00 N ATOM 113 CA GLU A 7 -21.260 -1.281 4.653 1.00 0.00 C ATOM 114 C GLU A 7 -20.397 -2.516 4.898 1.00 0.00 C ATOM 115 O GLU A 7 -19.317 -2.423 5.479 1.00 0.00 O ATOM 116 CB GLU A 7 -22.073 -0.955 5.908 1.00 0.00 C ATOM 117 CG GLU A 7 -21.684 0.362 6.560 1.00 0.00 C ATOM 118 CD GLU A 7 -22.865 1.070 7.194 1.00 0.00 C ATOM 119 OE1 GLU A 7 -23.597 1.773 6.465 1.00 0.00 O ATOM 120 OE2 GLU A 7 -23.058 0.920 8.419 1.00 0.00 O ATOM 0 H GLU A 7 -23.132 -1.301 3.710 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.606 -0.440 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.131 -0.923 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.947 -1.760 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.925 0.177 7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -21.233 1.014 5.812 1.00 0.00 H new ATOM 127 N ASN A 8 -20.880 -3.673 4.447 1.00 0.00 N ATOM 128 CA ASN A 8 -20.149 -4.925 4.614 1.00 0.00 C ATOM 129 C ASN A 8 -18.899 -4.935 3.742 1.00 0.00 C ATOM 130 O ASN A 8 -17.776 -5.007 4.248 1.00 0.00 O ATOM 131 CB ASN A 8 -21.043 -6.116 4.262 1.00 0.00 C ATOM 132 CG ASN A 8 -20.936 -7.239 5.275 1.00 0.00 C ATOM 133 OD1 ASN A 8 -20.967 -7.005 6.483 1.00 0.00 O ATOM 134 ND2 ASN A 8 -20.809 -8.467 4.786 1.00 0.00 N ATOM 0 H ASN A 8 -21.773 -3.768 3.964 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.847 -5.008 5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.079 -5.783 4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.770 -6.493 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.733 -9.263 5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.788 -8.614 3.777 1.00 0.00 H new ATOM 141 N GLU A 9 -19.097 -4.837 2.429 1.00 0.00 N ATOM 142 CA GLU A 9 -17.975 -4.813 1.497 1.00 0.00 C ATOM 143 C GLU A 9 -17.193 -3.502 1.620 1.00 0.00 C ATOM 144 O GLU A 9 -16.113 -3.354 1.051 1.00 0.00 O ATOM 145 CB GLU A 9 -18.473 -4.989 0.061 1.00 0.00 C ATOM 146 CG GLU A 9 -19.297 -6.250 -0.146 1.00 0.00 C ATOM 147 CD GLU A 9 -20.549 -6.001 -0.963 1.00 0.00 C ATOM 148 OE1 GLU A 9 -20.572 -5.014 -1.728 1.00 0.00 O ATOM 149 OE2 GLU A 9 -21.507 -6.793 -0.839 1.00 0.00 O ATOM 0 H GLU A 9 -20.016 -4.774 1.991 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.309 -5.639 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.074 -4.123 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.616 -5.010 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.685 -7.001 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -19.577 -6.660 0.824 1.00 0.00 H new ATOM 156 N ILE A 10 -17.748 -2.555 2.376 1.00 0.00 N ATOM 157 CA ILE A 10 -17.123 -1.262 2.589 1.00 0.00 C ATOM 158 C ILE A 10 -16.222 -1.313 3.819 1.00 0.00 C ATOM 159 O ILE A 10 -15.236 -0.582 3.913 1.00 0.00 O ATOM 160 CB ILE A 10 -18.209 -0.169 2.749 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.909 0.072 1.412 1.00 0.00 C ATOM 162 CG2 ILE A 10 -17.637 1.135 3.286 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.207 0.840 1.537 1.00 0.00 C ATOM 0 H ILE A 10 -18.642 -2.668 2.854 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.509 -1.014 1.723 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.932 -0.530 3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.235 0.619 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.109 -0.889 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.436 1.871 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.187 0.960 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.878 1.510 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.647 0.974 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.899 0.285 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.011 1.816 1.982 1.00 0.00 H new ATOM 175 N SER A 11 -16.557 -2.198 4.751 1.00 0.00 N ATOM 176 CA SER A 11 -15.766 -2.359 5.959 1.00 0.00 C ATOM 177 C SER A 11 -14.547 -3.219 5.664 1.00 0.00 C ATOM 178 O SER A 11 -13.489 -3.052 6.270 1.00 0.00 O ATOM 179 CB SER A 11 -16.605 -2.994 7.070 1.00 0.00 C ATOM 180 OG SER A 11 -16.634 -4.405 6.945 1.00 0.00 O ATOM 0 H SER A 11 -17.369 -2.812 4.691 1.00 0.00 H new ATOM 0 HA SER A 11 -15.437 -1.376 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.194 -2.720 8.042 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.621 -2.602 7.032 1.00 0.00 H new ATOM 0 HG SER A 11 -17.020 -4.649 6.078 1.00 0.00 H new ATOM 186 N HIS A 12 -14.703 -4.134 4.710 1.00 0.00 N ATOM 187 CA HIS A 12 -13.616 -5.012 4.316 1.00 0.00 C ATOM 188 C HIS A 12 -12.639 -4.252 3.413 1.00 0.00 C ATOM 189 O HIS A 12 -11.429 -4.260 3.653 1.00 0.00 O ATOM 190 CB HIS A 12 -14.194 -6.279 3.646 1.00 0.00 C ATOM 191 CG HIS A 12 -13.468 -6.761 2.424 1.00 0.00 C ATOM 192 ND1 HIS A 12 -12.373 -7.599 2.475 1.00 0.00 N ATOM 193 CD2 HIS A 12 -13.695 -6.517 1.117 1.00 0.00 C ATOM 194 CE1 HIS A 12 -11.958 -7.849 1.245 1.00 0.00 C ATOM 195 NE2 HIS A 12 -12.745 -7.204 0.403 1.00 0.00 N ATOM 0 H HIS A 12 -15.573 -4.283 4.199 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.052 -5.339 5.190 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.203 -7.084 4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.231 -6.083 3.375 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -11.950 -7.967 3.327 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.479 -5.896 0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.119 -8.474 0.975 1.00 0.00 H new ATOM 204 N HIS A 13 -13.163 -3.576 2.390 1.00 0.00 N ATOM 205 CA HIS A 13 -12.309 -2.805 1.494 1.00 0.00 C ATOM 206 C HIS A 13 -11.686 -1.637 2.245 1.00 0.00 C ATOM 207 O HIS A 13 -10.620 -1.151 1.876 1.00 0.00 O ATOM 208 CB HIS A 13 -13.090 -2.269 0.296 1.00 0.00 C ATOM 209 CG HIS A 13 -13.703 -3.323 -0.564 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.141 -4.567 -0.761 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.837 -3.303 -1.293 1.00 0.00 C ATOM 212 CE1 HIS A 13 -13.908 -5.267 -1.579 1.00 0.00 C ATOM 213 NE2 HIS A 13 -14.945 -4.522 -1.915 1.00 0.00 N ATOM 0 H HIS A 13 -14.158 -3.548 2.166 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.530 -3.473 1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.878 -1.609 0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.422 -1.662 -0.315 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -12.271 -4.895 -0.342 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.532 -2.480 -1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.719 -6.276 -1.915 1.00 0.00 H new ATOM 222 N ALA A 14 -12.360 -1.188 3.303 1.00 0.00 N ATOM 223 CA ALA A 14 -11.865 -0.079 4.105 1.00 0.00 C ATOM 224 C ALA A 14 -10.609 -0.492 4.855 1.00 0.00 C ATOM 225 O ALA A 14 -9.603 0.217 4.842 1.00 0.00 O ATOM 226 CB ALA A 14 -12.937 0.392 5.078 1.00 0.00 C ATOM 0 H ALA A 14 -13.248 -1.577 3.621 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.616 0.749 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.551 1.222 5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.815 0.721 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.214 -0.429 5.740 1.00 0.00 H new ATOM 232 N LYS A 15 -10.668 -1.654 5.493 1.00 0.00 N ATOM 233 CA LYS A 15 -9.529 -2.174 6.233 1.00 0.00 C ATOM 234 C LYS A 15 -8.426 -2.626 5.278 1.00 0.00 C ATOM 235 O LYS A 15 -7.278 -2.798 5.684 1.00 0.00 O ATOM 236 CB LYS A 15 -9.961 -3.342 7.123 1.00 0.00 C ATOM 237 CG LYS A 15 -9.612 -3.150 8.590 1.00 0.00 C ATOM 238 CD LYS A 15 -9.878 -4.412 9.396 1.00 0.00 C ATOM 239 CE LYS A 15 -9.437 -4.252 10.841 1.00 0.00 C ATOM 240 NZ LYS A 15 -10.539 -3.752 11.707 1.00 0.00 N ATOM 0 H LYS A 15 -11.493 -2.253 5.512 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.138 -1.375 6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.038 -3.480 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.490 -4.256 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.562 -2.873 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.196 -2.326 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.941 -4.649 9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.350 -5.252 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.084 -5.211 11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.596 -3.561 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.197 -3.657 12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.859 -2.825 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.332 -4.424 11.682 1.00 0.00 H new ATOM 254 N GLU A 16 -8.781 -2.822 4.008 1.00 0.00 N ATOM 255 CA GLU A 16 -7.816 -3.258 3.005 1.00 0.00 C ATOM 256 C GLU A 16 -7.025 -2.079 2.444 1.00 0.00 C ATOM 257 O GLU A 16 -5.846 -2.215 2.123 1.00 0.00 O ATOM 258 CB GLU A 16 -8.527 -3.997 1.870 1.00 0.00 C ATOM 259 CG GLU A 16 -9.033 -5.375 2.265 1.00 0.00 C ATOM 260 CD GLU A 16 -7.940 -6.426 2.239 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.729 -7.036 1.170 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.296 -6.639 3.288 1.00 0.00 O ATOM 0 H GLU A 16 -9.727 -2.686 3.653 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.115 -3.936 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.368 -3.395 1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.842 -4.098 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.463 -5.327 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.834 -5.672 1.588 1.00 0.00 H new ATOM 269 N ILE A 17 -7.673 -0.921 2.327 1.00 0.00 N ATOM 270 CA ILE A 17 -7.005 0.267 1.806 1.00 0.00 C ATOM 271 C ILE A 17 -6.173 0.932 2.894 1.00 0.00 C ATOM 272 O ILE A 17 -5.132 1.529 2.619 1.00 0.00 O ATOM 273 CB ILE A 17 -8.016 1.280 1.232 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.293 2.537 0.721 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.068 1.637 2.274 1.00 0.00 C ATOM 276 CD1 ILE A 17 -6.922 3.527 1.808 1.00 0.00 C ATOM 0 H ILE A 17 -8.650 -0.782 2.584 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.349 -0.056 0.997 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.525 0.818 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.387 2.233 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.930 3.037 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.772 2.353 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.603 0.736 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.583 2.078 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.416 4.384 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.825 3.863 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.258 3.047 2.526 1.00 0.00 H new ATOM 288 N GLU A 18 -6.631 0.811 4.136 1.00 0.00 N ATOM 289 CA GLU A 18 -5.921 1.388 5.268 1.00 0.00 C ATOM 290 C GLU A 18 -4.791 0.466 5.709 1.00 0.00 C ATOM 291 O GLU A 18 -3.718 0.924 6.104 1.00 0.00 O ATOM 292 CB GLU A 18 -6.883 1.635 6.433 1.00 0.00 C ATOM 293 CG GLU A 18 -6.541 2.869 7.252 1.00 0.00 C ATOM 294 CD GLU A 18 -7.413 3.009 8.484 1.00 0.00 C ATOM 295 OE1 GLU A 18 -8.576 3.443 8.343 1.00 0.00 O ATOM 296 OE2 GLU A 18 -6.934 2.686 9.591 1.00 0.00 O ATOM 0 H GLU A 18 -7.490 0.319 4.382 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.496 2.343 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.895 1.737 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.880 0.763 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.495 2.821 7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.653 3.757 6.629 1.00 0.00 H new ATOM 303 N ARG A 19 -5.037 -0.839 5.629 1.00 0.00 N ATOM 304 CA ARG A 19 -4.036 -1.826 6.009 1.00 0.00 C ATOM 305 C ARG A 19 -2.972 -1.943 4.928 1.00 0.00 C ATOM 306 O ARG A 19 -1.804 -2.205 5.216 1.00 0.00 O ATOM 307 CB ARG A 19 -4.692 -3.187 6.251 1.00 0.00 C ATOM 308 CG ARG A 19 -3.739 -4.230 6.810 1.00 0.00 C ATOM 309 CD ARG A 19 -3.993 -4.484 8.286 1.00 0.00 C ATOM 310 NE ARG A 19 -3.355 -3.478 9.132 1.00 0.00 N ATOM 311 CZ ARG A 19 -3.547 -3.391 10.444 1.00 0.00 C ATOM 312 NH1 ARG A 19 -4.354 -4.246 11.056 1.00 0.00 N ATOM 313 NH2 ARG A 19 -2.931 -2.448 11.145 1.00 0.00 N ATOM 0 H ARG A 19 -5.919 -1.235 5.305 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.562 -1.498 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.526 -3.062 6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.108 -3.553 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.852 -5.161 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.711 -3.897 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.067 -4.488 8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.619 -5.472 8.553 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.728 -2.805 8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.829 -4.972 10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.500 -4.178 12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.309 -1.789 10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.079 -2.382 12.152 1.00 0.00 H new ATOM 327 N LEU A 20 -3.382 -1.733 3.680 1.00 0.00 N ATOM 328 CA LEU A 20 -2.459 -1.803 2.559 1.00 0.00 C ATOM 329 C LEU A 20 -1.543 -0.589 2.563 1.00 0.00 C ATOM 330 O LEU A 20 -0.348 -0.699 2.290 1.00 0.00 O ATOM 331 CB LEU A 20 -3.229 -1.880 1.240 1.00 0.00 C ATOM 332 CG LEU A 20 -3.734 -3.273 0.864 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.835 -3.178 -0.181 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.588 -4.136 0.357 1.00 0.00 C ATOM 0 H LEU A 20 -4.345 -1.514 3.423 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.853 -2.703 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.082 -1.204 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.585 -1.516 0.440 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.149 -3.742 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.182 -4.179 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.666 -2.597 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.447 -2.690 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.965 -5.124 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.144 -3.671 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.832 -4.232 1.137 1.00 0.00 H new ATOM 346 N GLN A 21 -2.112 0.571 2.881 1.00 0.00 N ATOM 347 CA GLN A 21 -1.348 1.810 2.930 1.00 0.00 C ATOM 348 C GLN A 21 -0.268 1.735 4.003 1.00 0.00 C ATOM 349 O GLN A 21 0.868 2.158 3.785 1.00 0.00 O ATOM 350 CB GLN A 21 -2.275 2.997 3.203 1.00 0.00 C ATOM 351 CG GLN A 21 -1.552 4.332 3.264 1.00 0.00 C ATOM 352 CD GLN A 21 -1.871 5.112 4.524 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.010 5.309 5.381 1.00 0.00 O ATOM 354 NE2 GLN A 21 -3.117 5.559 4.643 1.00 0.00 N ATOM 0 H GLN A 21 -3.101 0.677 3.108 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.867 1.952 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.035 3.040 2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.795 2.832 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.477 4.161 3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.825 4.928 2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.798 5.372 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.392 6.089 5.470 1.00 0.00 H new ATOM 363 N LYS A 22 -0.627 1.190 5.161 1.00 0.00 N ATOM 364 CA LYS A 22 0.318 1.058 6.263 1.00 0.00 C ATOM 365 C LYS A 22 1.460 0.120 5.886 1.00 0.00 C ATOM 366 O LYS A 22 2.615 0.352 6.247 1.00 0.00 O ATOM 367 CB LYS A 22 -0.393 0.539 7.514 1.00 0.00 C ATOM 368 CG LYS A 22 0.220 1.034 8.814 1.00 0.00 C ATOM 369 CD LYS A 22 0.602 -0.121 9.725 1.00 0.00 C ATOM 370 CE LYS A 22 1.879 -0.801 9.258 1.00 0.00 C ATOM 371 NZ LYS A 22 3.096 -0.100 9.755 1.00 0.00 N ATOM 0 H LYS A 22 -1.562 0.834 5.360 1.00 0.00 H new ATOM 0 HA LYS A 22 0.734 2.043 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.440 0.841 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.375 -0.551 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.103 1.634 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.488 1.685 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.735 0.246 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.210 -0.848 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.888 -1.834 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.897 -0.831 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.945 -0.595 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.101 0.879 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.093 -0.094 10.795 1.00 0.00 H new ATOM 385 N GLU A 23 1.129 -0.941 5.157 1.00 0.00 N ATOM 386 CA GLU A 23 2.124 -1.916 4.729 1.00 0.00 C ATOM 387 C GLU A 23 3.141 -1.286 3.780 1.00 0.00 C ATOM 388 O GLU A 23 4.336 -1.578 3.852 1.00 0.00 O ATOM 389 CB GLU A 23 1.443 -3.104 4.047 1.00 0.00 C ATOM 390 CG GLU A 23 1.790 -4.445 4.673 1.00 0.00 C ATOM 391 CD GLU A 23 0.665 -4.999 5.527 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.475 -4.499 6.655 1.00 0.00 O ATOM 393 OE2 GLU A 23 -0.025 -5.933 5.067 1.00 0.00 O ATOM 0 H GLU A 23 0.178 -1.147 4.850 1.00 0.00 H new ATOM 0 HA GLU A 23 2.653 -2.266 5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.363 -2.964 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.726 -3.119 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.028 -5.159 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.685 -4.335 5.285 1.00 0.00 H new ATOM 400 N ILE A 24 2.662 -0.420 2.891 1.00 0.00 N ATOM 401 CA ILE A 24 3.544 0.244 1.935 1.00 0.00 C ATOM 402 C ILE A 24 4.543 1.139 2.670 1.00 0.00 C ATOM 403 O ILE A 24 5.714 1.220 2.301 1.00 0.00 O ATOM 404 CB ILE A 24 2.751 1.058 0.859 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.560 2.530 1.256 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.396 0.420 0.587 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.732 3.406 0.874 1.00 0.00 C ATOM 0 H ILE A 24 1.678 -0.163 2.812 1.00 0.00 H new ATOM 0 HA ILE A 24 4.090 -0.533 1.400 1.00 0.00 H new ATOM 0 HB ILE A 24 3.352 1.036 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.657 2.914 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.404 2.592 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.863 1.003 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.539 -0.597 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.814 0.396 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.534 4.433 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.633 3.045 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.875 3.372 -0.206 1.00 0.00 H new ATOM 419 N GLU A 25 4.062 1.806 3.717 1.00 0.00 N ATOM 420 CA GLU A 25 4.901 2.693 4.513 1.00 0.00 C ATOM 421 C GLU A 25 6.064 1.922 5.123 1.00 0.00 C ATOM 422 O GLU A 25 7.203 2.386 5.106 1.00 0.00 O ATOM 423 CB GLU A 25 4.075 3.355 5.619 1.00 0.00 C ATOM 424 CG GLU A 25 3.846 4.841 5.397 1.00 0.00 C ATOM 425 CD GLU A 25 2.853 5.430 6.380 1.00 0.00 C ATOM 426 OE1 GLU A 25 2.363 4.680 7.251 1.00 0.00 O ATOM 427 OE2 GLU A 25 2.567 6.642 6.282 1.00 0.00 O ATOM 0 H GLU A 25 3.094 1.747 4.033 1.00 0.00 H new ATOM 0 HA GLU A 25 5.300 3.468 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.110 2.853 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.580 3.212 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.796 5.369 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.485 5.002 4.381 1.00 0.00 H new ATOM 434 N ARG A 26 5.772 0.740 5.655 1.00 0.00 N ATOM 435 CA ARG A 26 6.800 -0.096 6.261 1.00 0.00 C ATOM 436 C ARG A 26 7.918 -0.366 5.261 1.00 0.00 C ATOM 437 O ARG A 26 9.098 -0.176 5.562 1.00 0.00 O ATOM 438 CB ARG A 26 6.198 -1.417 6.743 1.00 0.00 C ATOM 439 CG ARG A 26 7.215 -2.353 7.375 1.00 0.00 C ATOM 440 CD ARG A 26 6.665 -3.764 7.508 1.00 0.00 C ATOM 441 NE ARG A 26 5.396 -3.792 8.229 1.00 0.00 N ATOM 442 CZ ARG A 26 4.737 -4.910 8.517 1.00 0.00 C ATOM 443 NH1 ARG A 26 5.226 -6.084 8.146 1.00 0.00 N ATOM 444 NH2 ARG A 26 3.587 -4.853 9.176 1.00 0.00 N ATOM 0 H ARG A 26 4.834 0.341 5.679 1.00 0.00 H new ATOM 0 HA ARG A 26 7.214 0.433 7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.412 -1.206 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.727 -1.922 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.121 -2.370 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.496 -1.976 8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.528 -4.194 6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.391 -4.388 8.028 1.00 0.00 H new ATOM 0 HE ARG A 26 4.993 -2.904 8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.110 -6.131 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.719 -6.941 8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.207 -3.951 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.082 -5.712 9.396 1.00 0.00 H new ATOM 458 N HIS A 27 7.536 -0.799 4.063 1.00 0.00 N ATOM 459 CA HIS A 27 8.505 -1.083 3.014 1.00 0.00 C ATOM 460 C HIS A 27 9.219 0.194 2.582 1.00 0.00 C ATOM 461 O HIS A 27 10.331 0.148 2.055 1.00 0.00 O ATOM 462 CB HIS A 27 7.812 -1.728 1.810 1.00 0.00 C ATOM 463 CG HIS A 27 8.231 -3.144 1.566 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.434 -3.483 0.982 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.602 -4.313 1.832 1.00 0.00 C ATOM 466 CE1 HIS A 27 9.525 -4.798 0.898 1.00 0.00 C ATOM 467 NE2 HIS A 27 8.427 -5.325 1.408 1.00 0.00 N ATOM 0 H HIS A 27 6.565 -0.960 3.797 1.00 0.00 H new ATOM 0 HA HIS A 27 9.245 -1.778 3.411 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.733 -1.698 1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.024 -1.136 0.919 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.632 -4.428 2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.356 -5.349 0.483 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.225 -6.322 1.476 1.00 0.00 H new ATOM 476 N LYS A 28 8.572 1.335 2.808 1.00 0.00 N ATOM 477 CA LYS A 28 9.144 2.625 2.445 1.00 0.00 C ATOM 478 C LYS A 28 10.195 3.060 3.460 1.00 0.00 C ATOM 479 O LYS A 28 11.102 3.828 3.139 1.00 0.00 O ATOM 480 CB LYS A 28 8.044 3.684 2.346 1.00 0.00 C ATOM 481 CG LYS A 28 8.472 4.936 1.600 1.00 0.00 C ATOM 482 CD LYS A 28 8.599 6.127 2.535 1.00 0.00 C ATOM 483 CE LYS A 28 7.237 6.617 3.001 1.00 0.00 C ATOM 484 NZ LYS A 28 7.294 7.196 4.372 1.00 0.00 N ATOM 0 H LYS A 28 7.650 1.390 3.241 1.00 0.00 H new ATOM 0 HA LYS A 28 9.626 2.520 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.178 3.251 1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.726 3.961 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.427 4.757 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.746 5.161 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.202 5.850 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.123 6.936 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.864 7.368 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.529 5.789 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.346 7.518 4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.626 6.472 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.950 8.003 4.381 1.00 0.00 H new ATOM 498 N GLN A 29 10.070 2.561 4.686 1.00 0.00 N ATOM 499 CA GLN A 29 11.011 2.896 5.746 1.00 0.00 C ATOM 500 C GLN A 29 12.304 2.106 5.585 1.00 0.00 C ATOM 501 O GLN A 29 13.396 2.632 5.801 1.00 0.00 O ATOM 502 CB GLN A 29 10.392 2.612 7.116 1.00 0.00 C ATOM 503 CG GLN A 29 11.253 3.075 8.280 1.00 0.00 C ATOM 504 CD GLN A 29 10.528 2.994 9.609 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.848 2.159 10.455 1.00 0.00 O ATOM 506 NE2 GLN A 29 9.544 3.866 9.800 1.00 0.00 N ATOM 0 H GLN A 29 9.326 1.923 4.969 1.00 0.00 H new ATOM 0 HA GLN A 29 11.241 3.959 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.421 3.103 7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.214 1.541 7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.155 2.465 8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.571 4.103 8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.312 4.541 9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.020 3.860 10.675 1.00 0.00 H new ATOM 515 N SER A 30 12.172 0.841 5.201 1.00 0.00 N ATOM 516 CA SER A 30 13.331 -0.022 5.008 1.00 0.00 C ATOM 517 C SER A 30 14.115 0.389 3.765 1.00 0.00 C ATOM 518 O SER A 30 15.345 0.348 3.754 1.00 0.00 O ATOM 519 CB SER A 30 12.892 -1.483 4.889 1.00 0.00 C ATOM 520 OG SER A 30 11.803 -1.617 3.992 1.00 0.00 O ATOM 0 H SER A 30 11.275 0.391 5.018 1.00 0.00 H new ATOM 0 HA SER A 30 13.981 0.085 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.729 -2.090 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.607 -1.862 5.871 1.00 0.00 H new ATOM 0 HG SER A 30 11.542 -2.560 3.932 1.00 0.00 H new ATOM 526 N ILE A 31 13.396 0.787 2.720 1.00 0.00 N ATOM 527 CA ILE A 31 14.028 1.206 1.476 1.00 0.00 C ATOM 528 C ILE A 31 14.631 2.598 1.612 1.00 0.00 C ATOM 529 O ILE A 31 15.608 2.932 0.940 1.00 0.00 O ATOM 530 CB ILE A 31 13.019 1.200 0.313 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.687 1.641 -0.988 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.837 2.097 0.633 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.564 0.576 -1.604 1.00 0.00 C ATOM 0 H ILE A 31 12.377 0.828 2.711 1.00 0.00 H new ATOM 0 HA ILE A 31 14.823 0.492 1.261 1.00 0.00 H new ATOM 0 HB ILE A 31 12.657 0.180 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.917 1.926 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.288 2.530 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.133 2.082 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.341 1.738 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.187 3.117 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.006 0.957 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.356 0.307 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.963 -0.306 -1.828 1.00 0.00 H new ATOM 545 N LYS A 32 14.046 3.407 2.489 1.00 0.00 N ATOM 546 CA LYS A 32 14.530 4.762 2.719 1.00 0.00 C ATOM 547 C LYS A 32 15.793 4.746 3.573 1.00 0.00 C ATOM 548 O LYS A 32 16.641 5.631 3.464 1.00 0.00 O ATOM 549 CB LYS A 32 13.450 5.605 3.399 1.00 0.00 C ATOM 550 CG LYS A 32 13.878 7.039 3.671 1.00 0.00 C ATOM 551 CD LYS A 32 13.514 7.470 5.082 1.00 0.00 C ATOM 552 CE LYS A 32 14.656 7.218 6.053 1.00 0.00 C ATOM 553 NZ LYS A 32 14.297 7.607 7.446 1.00 0.00 N ATOM 0 H LYS A 32 13.236 3.147 3.052 1.00 0.00 H new ATOM 0 HA LYS A 32 14.769 5.206 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.559 5.614 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.172 5.133 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.954 7.132 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.401 7.705 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.259 8.530 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.628 6.928 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.927 6.162 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.534 7.779 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.102 7.420 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.063 8.620 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.475 7.053 7.760 1.00 0.00 H new ATOM 567 N LYS A 33 15.913 3.729 4.421 1.00 0.00 N ATOM 568 CA LYS A 33 17.074 3.592 5.292 1.00 0.00 C ATOM 569 C LYS A 33 18.267 3.043 4.517 1.00 0.00 C ATOM 570 O LYS A 33 19.409 3.438 4.754 1.00 0.00 O ATOM 571 CB LYS A 33 16.750 2.675 6.472 1.00 0.00 C ATOM 572 CG LYS A 33 16.392 3.425 7.745 1.00 0.00 C ATOM 573 CD LYS A 33 17.305 3.035 8.896 1.00 0.00 C ATOM 574 CE LYS A 33 18.531 3.933 8.962 1.00 0.00 C ATOM 575 NZ LYS A 33 19.267 3.772 10.246 1.00 0.00 N ATOM 0 H LYS A 33 15.220 2.988 4.523 1.00 0.00 H new ATOM 0 HA LYS A 33 17.332 4.580 5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.920 2.024 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.608 2.032 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.465 4.498 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.357 3.215 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.756 3.098 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.618 1.998 8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.196 3.701 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.226 4.973 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.096 4.400 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.640 4.018 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.580 2.785 10.345 1.00 0.00 H new ATOM 589 N LEU A 34 17.994 2.131 3.590 1.00 0.00 N ATOM 590 CA LEU A 34 19.043 1.528 2.778 1.00 0.00 C ATOM 591 C LEU A 34 19.563 2.519 1.742 1.00 0.00 C ATOM 592 O LEU A 34 20.736 2.485 1.369 1.00 0.00 O ATOM 593 CB LEU A 34 18.520 0.271 2.080 1.00 0.00 C ATOM 594 CG LEU A 34 18.883 -1.048 2.764 1.00 0.00 C ATOM 595 CD1 LEU A 34 17.961 -2.163 2.297 1.00 0.00 C ATOM 596 CD2 LEU A 34 20.337 -1.406 2.491 1.00 0.00 C ATOM 0 H LEU A 34 17.054 1.793 3.383 1.00 0.00 H new ATOM 0 HA LEU A 34 19.865 1.252 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.434 0.339 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.906 0.252 1.061 1.00 0.00 H new ATOM 0 HG LEU A 34 18.755 -0.926 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.235 -3.094 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.930 -1.910 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.057 -2.286 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.579 -2.347 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.491 -1.510 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.984 -0.618 2.876 1.00 0.00 H new ATOM 608 N LYS A 35 18.683 3.405 1.284 1.00 0.00 N ATOM 609 CA LYS A 35 19.055 4.407 0.292 1.00 0.00 C ATOM 610 C LYS A 35 19.871 5.526 0.931 1.00 0.00 C ATOM 611 O LYS A 35 20.806 6.050 0.325 1.00 0.00 O ATOM 612 CB LYS A 35 17.805 4.987 -0.372 1.00 0.00 C ATOM 613 CG LYS A 35 18.108 6.037 -1.428 1.00 0.00 C ATOM 614 CD LYS A 35 17.296 7.303 -1.203 1.00 0.00 C ATOM 615 CE LYS A 35 15.918 7.199 -1.835 1.00 0.00 C ATOM 616 NZ LYS A 35 14.834 7.491 -0.856 1.00 0.00 N ATOM 0 H LYS A 35 17.709 3.449 1.584 1.00 0.00 H new ATOM 0 HA LYS A 35 19.668 3.921 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.238 4.177 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.168 5.428 0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.171 6.277 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.889 5.634 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.194 7.486 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.827 8.157 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.849 7.895 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.780 6.197 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.910 7.409 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.884 6.812 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.950 8.456 -0.487 1.00 0.00 H new ATOM 630 N GLN A 36 19.513 5.886 2.159 1.00 0.00 N ATOM 631 CA GLN A 36 20.212 6.942 2.881 1.00 0.00 C ATOM 632 C GLN A 36 21.589 6.468 3.335 1.00 0.00 C ATOM 633 O GLN A 36 22.521 7.263 3.459 1.00 0.00 O ATOM 634 CB GLN A 36 19.391 7.394 4.089 1.00 0.00 C ATOM 635 CG GLN A 36 19.818 8.743 4.646 1.00 0.00 C ATOM 636 CD GLN A 36 20.445 8.633 6.021 1.00 0.00 C ATOM 637 OE1 GLN A 36 20.159 7.703 6.775 1.00 0.00 O ATOM 638 NE2 GLN A 36 21.306 9.587 6.357 1.00 0.00 N ATOM 0 H GLN A 36 18.742 5.462 2.675 1.00 0.00 H new ATOM 0 HA GLN A 36 20.342 7.787 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.340 7.444 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.473 6.643 4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.530 9.206 3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.951 9.402 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.514 10.340 5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.759 9.567 7.271 1.00 0.00 H new ATOM 647 N SER A 37 21.708 5.168 3.583 1.00 0.00 N ATOM 648 CA SER A 37 22.972 4.587 4.023 1.00 0.00 C ATOM 649 C SER A 37 23.977 4.542 2.877 1.00 0.00 C ATOM 650 O SER A 37 25.187 4.606 3.096 1.00 0.00 O ATOM 651 CB SER A 37 22.745 3.178 4.573 1.00 0.00 C ATOM 652 OG SER A 37 23.313 3.037 5.864 1.00 0.00 O ATOM 0 H SER A 37 20.946 4.497 3.487 1.00 0.00 H new ATOM 0 HA SER A 37 23.378 5.217 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.676 2.969 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 37 23.185 2.445 3.897 1.00 0.00 H new ATOM 0 HG SER A 37 23.153 2.128 6.194 1.00 0.00 H new ATOM 658 N GLU A 38 23.469 4.432 1.654 1.00 0.00 N ATOM 659 CA GLU A 38 24.323 4.380 0.473 1.00 0.00 C ATOM 660 C GLU A 38 24.980 5.732 0.217 1.00 0.00 C ATOM 661 O GLU A 38 26.046 5.809 -0.393 1.00 0.00 O ATOM 662 CB GLU A 38 23.510 3.954 -0.752 1.00 0.00 C ATOM 663 CG GLU A 38 24.342 3.270 -1.824 1.00 0.00 C ATOM 664 CD GLU A 38 23.553 3.008 -3.093 1.00 0.00 C ATOM 665 OE1 GLU A 38 22.576 2.232 -3.034 1.00 0.00 O ATOM 666 OE2 GLU A 38 23.914 3.577 -4.144 1.00 0.00 O ATOM 0 H GLU A 38 22.470 4.377 1.455 1.00 0.00 H new ATOM 0 HA GLU A 38 25.107 3.644 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.716 3.279 -0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.029 4.832 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.207 3.891 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.724 2.326 -1.436 1.00 0.00 H new ATOM 673 N ASP A 39 24.337 6.796 0.689 1.00 0.00 N ATOM 674 CA ASP A 39 24.861 8.145 0.511 1.00 0.00 C ATOM 675 C ASP A 39 25.234 8.766 1.853 1.00 0.00 C ATOM 676 O ASP A 39 25.248 9.988 2.000 1.00 0.00 O ATOM 677 CB ASP A 39 23.830 9.024 -0.202 1.00 0.00 C ATOM 678 CG ASP A 39 24.412 9.733 -1.409 1.00 0.00 C ATOM 679 OD1 ASP A 39 24.966 9.046 -2.292 1.00 0.00 O ATOM 680 OD2 ASP A 39 24.312 10.976 -1.471 1.00 0.00 O ATOM 0 H ASP A 39 23.454 6.750 1.197 1.00 0.00 H new ATOM 0 HA ASP A 39 25.761 8.081 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 39 22.987 8.409 -0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 39 23.441 9.763 0.498 1.00 0.00 H new ATOM 685 N ASP A 40 25.536 7.916 2.829 1.00 0.00 N ATOM 686 CA ASP A 40 25.908 8.382 4.159 1.00 0.00 C ATOM 687 C ASP A 40 27.403 8.199 4.401 1.00 0.00 C ATOM 688 O ASP A 40 28.141 9.172 4.560 1.00 0.00 O ATOM 689 CB ASP A 40 25.112 7.631 5.228 1.00 0.00 C ATOM 690 CG ASP A 40 25.270 8.245 6.605 1.00 0.00 C ATOM 691 OD1 ASP A 40 26.414 8.302 7.103 1.00 0.00 O ATOM 692 OD2 ASP A 40 24.249 8.671 7.186 1.00 0.00 O ATOM 0 H ASP A 40 25.530 6.901 2.724 1.00 0.00 H new ATOM 0 HA ASP A 40 25.674 9.445 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 40 24.057 7.626 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 40 25.439 6.592 5.257 1.00 0.00 H new ATOM 697 N ASP A 41 27.844 6.945 4.427 1.00 0.00 N ATOM 698 CA ASP A 41 29.251 6.634 4.649 1.00 0.00 C ATOM 699 C ASP A 41 30.090 7.012 3.433 1.00 0.00 C ATOM 700 O ASP A 41 29.827 6.468 2.340 1.00 0.00 O ATOM 701 CB ASP A 41 29.424 5.145 4.959 1.00 0.00 C ATOM 702 CG ASP A 41 29.637 4.884 6.437 1.00 0.00 C ATOM 703 OD1 ASP A 41 30.032 5.826 7.155 1.00 0.00 O ATOM 704 OD2 ASP A 41 29.410 3.736 6.875 1.00 0.00 O ATOM 705 OXT ASP A 41 31.004 7.851 3.583 1.00 0.00 O ATOM 0 H ASP A 41 27.247 6.128 4.297 1.00 0.00 H new ATOM 0 HA ASP A 41 29.596 7.218 5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 41 28.542 4.601 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 41 30.274 4.756 4.398 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 33.240 2.726 -9.011 1.00 0.00 N ATOM 712 CA ALA B 1 32.199 2.319 -8.031 1.00 0.00 C ATOM 713 C ALA B 1 32.641 1.093 -7.242 1.00 0.00 C ATOM 714 O ALA B 1 33.734 0.567 -7.451 1.00 0.00 O ATOM 715 CB ALA B 1 30.885 2.040 -8.745 1.00 0.00 C ATOM 0 H1 ALA B 1 33.577 3.683 -8.782 1.00 0.00 H new ATOM 0 H2 ALA B 1 34.037 2.059 -8.968 1.00 0.00 H new ATOM 0 H3 ALA B 1 32.836 2.721 -9.969 1.00 0.00 H new ATOM 0 HA ALA B 1 32.053 3.140 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA B 1 30.131 1.743 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA B 1 30.554 2.940 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA B 1 31.027 1.237 -9.468 1.00 0.00 H new ATOM 723 N LEU B 2 31.784 0.641 -6.331 1.00 0.00 N ATOM 724 CA LEU B 2 32.087 -0.525 -5.508 1.00 0.00 C ATOM 725 C LEU B 2 30.931 -0.840 -4.565 1.00 0.00 C ATOM 726 O LEU B 2 30.248 0.062 -4.080 1.00 0.00 O ATOM 727 CB LEU B 2 33.368 -0.289 -4.706 1.00 0.00 C ATOM 728 CG LEU B 2 33.313 0.888 -3.731 1.00 0.00 C ATOM 729 CD1 LEU B 2 33.905 0.496 -2.385 1.00 0.00 C ATOM 730 CD2 LEU B 2 34.046 2.090 -4.307 1.00 0.00 C ATOM 0 H LEU B 2 30.875 1.064 -6.144 1.00 0.00 H new ATOM 0 HA LEU B 2 32.234 -1.379 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.600 -1.195 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU B 2 34.190 -0.126 -5.403 1.00 0.00 H new ATOM 0 HG LEU B 2 32.269 1.161 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU B 2 33.857 1.346 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.338 -0.336 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU B 2 34.944 0.196 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU B 2 33.997 2.919 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU B 2 35.089 1.828 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU B 2 33.578 2.386 -5.246 1.00 0.00 H new ATOM 742 N LYS B 3 30.718 -2.126 -4.308 1.00 0.00 N ATOM 743 CA LYS B 3 29.645 -2.561 -3.422 1.00 0.00 C ATOM 744 C LYS B 3 28.281 -2.301 -4.051 1.00 0.00 C ATOM 745 O LYS B 3 27.765 -1.184 -4.001 1.00 0.00 O ATOM 746 CB LYS B 3 29.744 -1.839 -2.075 1.00 0.00 C ATOM 747 CG LYS B 3 29.411 -2.725 -0.886 1.00 0.00 C ATOM 748 CD LYS B 3 29.960 -2.147 0.409 1.00 0.00 C ATOM 749 CE LYS B 3 30.913 -3.115 1.092 1.00 0.00 C ATOM 750 NZ LYS B 3 31.608 -2.489 2.249 1.00 0.00 N ATOM 0 H LYS B 3 31.274 -2.885 -4.701 1.00 0.00 H new ATOM 0 HA LYS B 3 29.752 -3.634 -3.261 1.00 0.00 H new ATOM 0 HB2 LYS B 3 30.754 -1.448 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS B 3 29.069 -0.983 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS B 3 28.330 -2.838 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS B 3 29.824 -3.721 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS B 3 30.478 -1.211 0.200 1.00 0.00 H new ATOM 0 HD3 LYS B 3 29.135 -1.911 1.082 1.00 0.00 H new ATOM 0 HE2 LYS B 3 30.359 -3.990 1.432 1.00 0.00 H new ATOM 0 HE3 LYS B 3 31.652 -3.466 0.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 32.248 -3.182 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 32.158 -1.669 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 30.905 -2.177 2.949 1.00 0.00 H new ATOM 764 N LYS B 4 27.700 -3.340 -4.644 1.00 0.00 N ATOM 765 CA LYS B 4 26.395 -3.224 -5.283 1.00 0.00 C ATOM 766 C LYS B 4 25.350 -4.059 -4.550 1.00 0.00 C ATOM 767 O LYS B 4 24.340 -4.456 -5.131 1.00 0.00 O ATOM 768 CB LYS B 4 26.479 -3.662 -6.747 1.00 0.00 C ATOM 769 CG LYS B 4 27.446 -2.832 -7.575 1.00 0.00 C ATOM 770 CD LYS B 4 26.810 -2.372 -8.878 1.00 0.00 C ATOM 771 CE LYS B 4 27.622 -1.266 -9.534 1.00 0.00 C ATOM 772 NZ LYS B 4 26.873 -0.611 -10.641 1.00 0.00 N ATOM 0 H LYS B 4 28.113 -4.271 -4.695 1.00 0.00 H new ATOM 0 HA LYS B 4 26.091 -2.178 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS B 4 26.783 -4.708 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS B 4 25.486 -3.601 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS B 4 27.768 -1.964 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS B 4 28.338 -3.419 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS B 4 26.726 -3.217 -9.561 1.00 0.00 H new ATOM 0 HD3 LYS B 4 25.798 -2.016 -8.685 1.00 0.00 H new ATOM 0 HE2 LYS B 4 27.891 -0.520 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS B 4 28.553 -1.680 -9.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 27.460 0.137 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 26.638 -1.318 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 25.996 -0.194 -10.268 1.00 0.00 H new ATOM 786 N HIS B 5 25.599 -4.320 -3.270 1.00 0.00 N ATOM 787 CA HIS B 5 24.677 -5.106 -2.459 1.00 0.00 C ATOM 788 C HIS B 5 23.491 -4.258 -2.014 1.00 0.00 C ATOM 789 O HIS B 5 22.351 -4.729 -1.981 1.00 0.00 O ATOM 790 CB HIS B 5 25.398 -5.677 -1.237 1.00 0.00 C ATOM 791 CG HIS B 5 26.799 -6.119 -1.522 1.00 0.00 C ATOM 792 ND1 HIS B 5 27.212 -6.564 -2.761 1.00 0.00 N ATOM 793 CD2 HIS B 5 27.889 -6.183 -0.720 1.00 0.00 C ATOM 794 CE1 HIS B 5 28.493 -6.883 -2.708 1.00 0.00 C ATOM 795 NE2 HIS B 5 28.927 -6.660 -1.482 1.00 0.00 N ATOM 0 H HIS B 5 26.430 -3.999 -2.773 1.00 0.00 H new ATOM 0 HA HIS B 5 24.305 -5.930 -3.069 1.00 0.00 H new ATOM 0 HB2 HIS B 5 25.417 -4.922 -0.451 1.00 0.00 H new ATOM 0 HB3 HIS B 5 24.830 -6.524 -0.853 1.00 0.00 H new ATOM 0 HD2 HIS B 5 27.933 -5.910 0.324 1.00 0.00 H new ATOM 0 HE1 HIS B 5 29.084 -7.262 -3.529 1.00 0.00 H new ATOM 0 HE2 HIS B 5 29.880 -6.817 -1.153 1.00 0.00 H new ATOM 804 N HIS B 6 23.764 -3.001 -1.677 1.00 0.00 N ATOM 805 CA HIS B 6 22.718 -2.087 -1.240 1.00 0.00 C ATOM 806 C HIS B 6 21.687 -1.893 -2.340 1.00 0.00 C ATOM 807 O HIS B 6 20.501 -2.112 -2.126 1.00 0.00 O ATOM 808 CB HIS B 6 23.317 -0.740 -0.833 1.00 0.00 C ATOM 809 CG HIS B 6 24.144 -0.803 0.412 1.00 0.00 C ATOM 810 ND1 HIS B 6 24.431 -1.983 1.067 1.00 0.00 N ATOM 811 CD2 HIS B 6 24.750 0.177 1.125 1.00 0.00 C ATOM 812 CE1 HIS B 6 25.176 -1.727 2.127 1.00 0.00 C ATOM 813 NE2 HIS B 6 25.383 -0.425 2.185 1.00 0.00 N ATOM 0 H HIS B 6 24.699 -2.594 -1.699 1.00 0.00 H new ATOM 0 HA HIS B 6 22.223 -2.523 -0.372 1.00 0.00 H new ATOM 0 HB2 HIS B 6 23.933 -0.364 -1.650 1.00 0.00 H new ATOM 0 HB3 HIS B 6 22.510 -0.022 -0.687 1.00 0.00 H new ATOM 0 HD2 HIS B 6 24.738 1.234 0.902 1.00 0.00 H new ATOM 0 HE1 HIS B 6 25.552 -2.459 2.827 1.00 0.00 H new ATOM 0 HE2 HIS B 6 25.926 0.057 2.902 1.00 0.00 H new ATOM 822 N GLU B 7 22.148 -1.488 -3.518 1.00 0.00 N ATOM 823 CA GLU B 7 21.261 -1.278 -4.655 1.00 0.00 C ATOM 824 C GLU B 7 20.398 -2.513 -4.899 1.00 0.00 C ATOM 825 O GLU B 7 19.317 -2.420 -5.481 1.00 0.00 O ATOM 826 CB GLU B 7 22.074 -0.951 -5.908 1.00 0.00 C ATOM 827 CG GLU B 7 21.684 0.366 -6.559 1.00 0.00 C ATOM 828 CD GLU B 7 22.866 1.074 -7.193 1.00 0.00 C ATOM 829 OE1 GLU B 7 23.598 1.776 -6.464 1.00 0.00 O ATOM 830 OE2 GLU B 7 23.059 0.926 -8.419 1.00 0.00 O ATOM 0 H GLU B 7 23.132 -1.299 -3.710 1.00 0.00 H new ATOM 0 HA GLU B 7 20.607 -0.436 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.132 -0.918 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU B 7 21.949 -1.756 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU B 7 20.925 0.181 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU B 7 21.233 1.018 -5.811 1.00 0.00 H new ATOM 837 N ASN B 8 20.880 -3.671 -4.451 1.00 0.00 N ATOM 838 CA ASN B 8 20.149 -4.923 -4.617 1.00 0.00 C ATOM 839 C ASN B 8 18.899 -4.933 -3.746 1.00 0.00 C ATOM 840 O ASN B 8 17.776 -5.005 -4.250 1.00 0.00 O ATOM 841 CB ASN B 8 21.043 -6.114 -4.266 1.00 0.00 C ATOM 842 CG ASN B 8 20.936 -7.236 -5.281 1.00 0.00 C ATOM 843 OD1 ASN B 8 20.969 -7.001 -6.488 1.00 0.00 O ATOM 844 ND2 ASN B 8 20.807 -8.464 -4.793 1.00 0.00 N ATOM 0 H ASN B 8 21.774 -3.767 -3.970 1.00 0.00 H new ATOM 0 HA ASN B 8 19.847 -5.006 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN B 8 22.079 -5.781 -4.204 1.00 0.00 H new ATOM 0 HB3 ASN B 8 20.770 -6.492 -3.281 1.00 0.00 H new ATOM 0 HD21 ASN B 8 20.731 -9.259 -5.427 1.00 0.00 H new ATOM 0 HD22 ASN B 8 20.784 -8.612 -3.784 1.00 0.00 H new ATOM 851 N GLU B 9 19.097 -4.836 -2.433 1.00 0.00 N ATOM 852 CA GLU B 9 17.975 -4.812 -1.500 1.00 0.00 C ATOM 853 C GLU B 9 17.193 -3.501 -1.623 1.00 0.00 C ATOM 854 O GLU B 9 16.113 -3.354 -1.053 1.00 0.00 O ATOM 855 CB GLU B 9 18.473 -4.989 -0.065 1.00 0.00 C ATOM 856 CG GLU B 9 19.297 -6.250 0.141 1.00 0.00 C ATOM 857 CD GLU B 9 20.549 -6.001 0.959 1.00 0.00 C ATOM 858 OE1 GLU B 9 20.572 -5.015 1.725 1.00 0.00 O ATOM 859 OE2 GLU B 9 21.507 -6.793 0.833 1.00 0.00 O ATOM 0 H GLU B 9 20.016 -4.773 -1.995 1.00 0.00 H new ATOM 0 HA GLU B 9 17.309 -5.638 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.074 -4.123 0.212 1.00 0.00 H new ATOM 0 HB3 GLU B 9 17.616 -5.011 0.608 1.00 0.00 H new ATOM 0 HG2 GLU B 9 18.685 -7.002 0.640 1.00 0.00 H new ATOM 0 HG3 GLU B 9 19.577 -6.659 -0.830 1.00 0.00 H new ATOM 866 N ILE B 10 17.748 -2.553 -2.378 1.00 0.00 N ATOM 867 CA ILE B 10 17.123 -1.260 -2.589 1.00 0.00 C ATOM 868 C ILE B 10 16.222 -1.311 -3.820 1.00 0.00 C ATOM 869 O ILE B 10 15.236 -0.580 -3.913 1.00 0.00 O ATOM 870 CB ILE B 10 18.209 -0.167 -2.750 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.909 0.073 -1.412 1.00 0.00 C ATOM 872 CG2 ILE B 10 17.636 1.137 -3.287 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.208 0.840 -1.537 1.00 0.00 C ATOM 0 H ILE B 10 18.642 -2.665 -2.857 1.00 0.00 H new ATOM 0 HA ILE B 10 16.510 -1.012 -1.722 1.00 0.00 H new ATOM 0 HB ILE B 10 18.933 -0.527 -3.481 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.236 0.620 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE B 10 19.108 -0.888 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE B 10 18.434 1.873 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE B 10 17.185 0.961 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE B 10 16.878 1.512 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.649 0.973 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.899 0.284 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.013 1.816 -1.982 1.00 0.00 H new ATOM 885 N SER B 11 16.557 -2.194 -4.752 1.00 0.00 N ATOM 886 CA SER B 11 15.766 -2.354 -5.961 1.00 0.00 C ATOM 887 C SER B 11 14.547 -3.214 -5.666 1.00 0.00 C ATOM 888 O SER B 11 13.489 -3.047 -6.272 1.00 0.00 O ATOM 889 CB SER B 11 16.604 -2.989 -7.072 1.00 0.00 C ATOM 890 OG SER B 11 16.634 -4.400 -6.948 1.00 0.00 O ATOM 0 H SER B 11 17.369 -2.808 -4.693 1.00 0.00 H new ATOM 0 HA SER B 11 15.438 -1.371 -6.299 1.00 0.00 H new ATOM 0 HB2 SER B 11 16.192 -2.715 -8.043 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.620 -2.596 -7.034 1.00 0.00 H new ATOM 0 HG SER B 11 17.005 -4.644 -6.074 1.00 0.00 H new ATOM 896 N HIS B 12 14.704 -4.130 -4.713 1.00 0.00 N ATOM 897 CA HIS B 12 13.616 -5.009 -4.319 1.00 0.00 C ATOM 898 C HIS B 12 12.639 -4.250 -3.415 1.00 0.00 C ATOM 899 O HIS B 12 11.429 -4.257 -3.655 1.00 0.00 O ATOM 900 CB HIS B 12 14.194 -6.276 -3.650 1.00 0.00 C ATOM 901 CG HIS B 12 13.468 -6.759 -2.429 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.373 -7.596 -2.479 1.00 0.00 N ATOM 903 CD2 HIS B 12 13.696 -6.517 -1.121 1.00 0.00 C ATOM 904 CE1 HIS B 12 11.958 -7.847 -1.250 1.00 0.00 C ATOM 905 NE2 HIS B 12 12.745 -7.203 -0.408 1.00 0.00 N ATOM 0 H HIS B 12 15.574 -4.279 -4.203 1.00 0.00 H new ATOM 0 HA HIS B 12 13.052 -5.335 -5.193 1.00 0.00 H new ATOM 0 HB2 HIS B 12 14.204 -7.080 -4.386 1.00 0.00 H new ATOM 0 HB3 HIS B 12 15.231 -6.080 -3.379 1.00 0.00 H new ATOM 0 HD1 HIS B 12 11.950 -7.964 -3.331 1.00 0.00 H new ATOM 0 HD2 HIS B 12 14.481 -5.898 -0.712 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.119 -8.472 -0.980 1.00 0.00 H new ATOM 914 N HIS B 13 13.163 -3.573 -2.392 1.00 0.00 N ATOM 915 CA HIS B 13 12.309 -2.804 -1.496 1.00 0.00 C ATOM 916 C HIS B 13 11.686 -1.634 -2.246 1.00 0.00 C ATOM 917 O HIS B 13 10.620 -1.150 -1.877 1.00 0.00 O ATOM 918 CB HIS B 13 13.090 -2.269 -0.297 1.00 0.00 C ATOM 919 CG HIS B 13 13.703 -3.323 0.562 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.141 -4.567 0.759 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.838 -3.303 1.291 1.00 0.00 C ATOM 922 CE1 HIS B 13 13.908 -5.268 1.576 1.00 0.00 C ATOM 923 NE2 HIS B 13 14.945 -4.523 1.912 1.00 0.00 N ATOM 0 H HIS B 13 14.158 -3.543 -2.168 1.00 0.00 H new ATOM 0 HA HIS B 13 11.530 -3.473 -1.131 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.878 -1.609 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.422 -1.663 0.315 1.00 0.00 H new ATOM 0 HD1 HIS B 13 12.271 -4.895 0.340 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.533 -2.480 1.371 1.00 0.00 H new ATOM 0 HE1 HIS B 13 13.719 -6.277 1.911 1.00 0.00 H new ATOM 932 N ALA B 14 12.359 -1.186 -3.304 1.00 0.00 N ATOM 933 CA ALA B 14 11.865 -0.077 -4.105 1.00 0.00 C ATOM 934 C ALA B 14 10.608 -0.488 -4.855 1.00 0.00 C ATOM 935 O ALA B 14 9.602 0.221 -4.842 1.00 0.00 O ATOM 936 CB ALA B 14 12.936 0.396 -5.078 1.00 0.00 C ATOM 0 H ALA B 14 13.246 -1.576 -3.623 1.00 0.00 H new ATOM 0 HA ALA B 14 11.617 0.750 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.549 1.226 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.814 0.725 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.213 -0.424 -5.741 1.00 0.00 H new ATOM 942 N LYS B 15 10.668 -1.651 -5.495 1.00 0.00 N ATOM 943 CA LYS B 15 9.529 -2.170 -6.235 1.00 0.00 C ATOM 944 C LYS B 15 8.426 -2.623 -5.280 1.00 0.00 C ATOM 945 O LYS B 15 7.277 -2.795 -5.685 1.00 0.00 O ATOM 946 CB LYS B 15 9.960 -3.337 -7.125 1.00 0.00 C ATOM 947 CG LYS B 15 9.612 -3.145 -8.592 1.00 0.00 C ATOM 948 CD LYS B 15 9.878 -4.405 -9.398 1.00 0.00 C ATOM 949 CE LYS B 15 9.437 -4.246 -10.844 1.00 0.00 C ATOM 950 NZ LYS B 15 10.539 -3.744 -11.709 1.00 0.00 N ATOM 0 H LYS B 15 11.493 -2.250 -5.515 1.00 0.00 H new ATOM 0 HA LYS B 15 9.138 -1.370 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.037 -3.476 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.488 -4.251 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.562 -2.868 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS B 15 10.196 -2.321 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.942 -4.641 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS B 15 9.351 -5.245 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS B 15 9.086 -5.205 -11.224 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.594 -3.556 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 10.197 -3.649 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.857 -2.817 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.333 -4.415 -11.683 1.00 0.00 H new ATOM 964 N GLU B 16 8.781 -2.820 -4.009 1.00 0.00 N ATOM 965 CA GLU B 16 7.816 -3.255 -3.007 1.00 0.00 C ATOM 966 C GLU B 16 7.025 -2.076 -2.444 1.00 0.00 C ATOM 967 O GLU B 16 5.846 -2.214 -2.125 1.00 0.00 O ATOM 968 CB GLU B 16 8.527 -3.996 -1.872 1.00 0.00 C ATOM 969 CG GLU B 16 9.033 -5.373 -2.268 1.00 0.00 C ATOM 970 CD GLU B 16 7.940 -6.424 -2.242 1.00 0.00 C ATOM 971 OE1 GLU B 16 7.729 -7.036 -1.175 1.00 0.00 O ATOM 972 OE2 GLU B 16 7.297 -6.636 -3.293 1.00 0.00 O ATOM 0 H GLU B 16 9.727 -2.685 -3.653 1.00 0.00 H new ATOM 0 HA GLU B 16 7.114 -3.931 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.368 -3.394 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU B 16 7.842 -4.098 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.462 -5.325 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU B 16 9.834 -5.670 -1.592 1.00 0.00 H new ATOM 979 N ILE B 17 7.673 -0.919 -2.326 1.00 0.00 N ATOM 980 CA ILE B 17 7.005 0.268 -1.806 1.00 0.00 C ATOM 981 C ILE B 17 6.173 0.934 -2.894 1.00 0.00 C ATOM 982 O ILE B 17 5.132 1.531 -2.618 1.00 0.00 O ATOM 983 CB ILE B 17 8.016 1.282 -1.231 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.293 2.537 -0.720 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.068 1.639 -2.273 1.00 0.00 C ATOM 986 CD1 ILE B 17 6.922 3.528 -1.806 1.00 0.00 C ATOM 0 H ILE B 17 8.651 -0.780 -2.581 1.00 0.00 H new ATOM 0 HA ILE B 17 6.349 -0.056 -0.998 1.00 0.00 H new ATOM 0 HB ILE B 17 8.525 0.821 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.386 2.232 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE B 17 7.929 3.037 0.010 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.772 2.355 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.603 0.738 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.583 2.080 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.416 4.384 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.825 3.865 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE B 17 6.258 3.048 -2.525 1.00 0.00 H new ATOM 998 N GLU B 18 6.631 0.813 -4.135 1.00 0.00 N ATOM 999 CA GLU B 18 5.921 1.391 -5.267 1.00 0.00 C ATOM 1000 C GLU B 18 4.791 0.469 -5.709 1.00 0.00 C ATOM 1001 O GLU B 18 3.718 0.928 -6.104 1.00 0.00 O ATOM 1002 CB GLU B 18 6.883 1.640 -6.432 1.00 0.00 C ATOM 1003 CG GLU B 18 6.541 2.874 -7.250 1.00 0.00 C ATOM 1004 CD GLU B 18 7.413 3.015 -8.482 1.00 0.00 C ATOM 1005 OE1 GLU B 18 8.576 3.450 -8.340 1.00 0.00 O ATOM 1006 OE2 GLU B 18 6.934 2.692 -9.589 1.00 0.00 O ATOM 0 H GLU B 18 7.490 0.320 -4.381 1.00 0.00 H new ATOM 0 HA GLU B 18 5.495 2.345 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.895 1.743 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.881 0.768 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.495 2.826 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU B 18 6.652 3.761 -6.627 1.00 0.00 H new ATOM 1013 N ARG B 19 5.037 -0.835 -5.629 1.00 0.00 N ATOM 1014 CA ARG B 19 4.036 -1.821 -6.011 1.00 0.00 C ATOM 1015 C ARG B 19 2.972 -1.940 -4.929 1.00 0.00 C ATOM 1016 O ARG B 19 1.804 -2.202 -5.217 1.00 0.00 O ATOM 1017 CB ARG B 19 4.691 -3.182 -6.253 1.00 0.00 C ATOM 1018 CG ARG B 19 3.738 -4.226 -6.813 1.00 0.00 C ATOM 1019 CD ARG B 19 3.993 -4.478 -8.290 1.00 0.00 C ATOM 1020 NE ARG B 19 3.355 -3.472 -9.134 1.00 0.00 N ATOM 1021 CZ ARG B 19 3.546 -3.384 -10.447 1.00 0.00 C ATOM 1022 NH1 ARG B 19 4.354 -4.239 -11.060 1.00 0.00 N ATOM 1023 NH2 ARG B 19 2.930 -2.441 -11.146 1.00 0.00 N ATOM 0 H ARG B 19 5.919 -1.231 -5.304 1.00 0.00 H new ATOM 0 HA ARG B 19 3.563 -1.491 -6.936 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.525 -3.057 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.106 -3.548 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.851 -5.158 -6.259 1.00 0.00 H new ATOM 0 HG3 ARG B 19 2.709 -3.894 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.067 -4.480 -8.477 1.00 0.00 H new ATOM 0 HD3 ARG B 19 3.620 -5.466 -8.559 1.00 0.00 H new ATOM 0 HE ARG B 19 2.728 -2.800 -8.692 1.00 0.00 H new ATOM 0 HH11 ARG B 19 4.830 -4.965 -10.524 1.00 0.00 H new ATOM 0 HH12 ARG B 19 4.500 -4.170 -12.067 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.309 -1.782 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG B 19 3.077 -2.374 -12.153 1.00 0.00 H new ATOM 1037 N LEU B 20 3.381 -1.731 -3.681 1.00 0.00 N ATOM 1038 CA LEU B 20 2.459 -1.801 -2.561 1.00 0.00 C ATOM 1039 C LEU B 20 1.543 -0.587 -2.563 1.00 0.00 C ATOM 1040 O LEU B 20 0.348 -0.697 -2.291 1.00 0.00 O ATOM 1041 CB LEU B 20 3.229 -1.879 -1.241 1.00 0.00 C ATOM 1042 CG LEU B 20 3.734 -3.273 -0.867 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.834 -3.179 0.179 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.588 -4.136 -0.361 1.00 0.00 C ATOM 0 H LEU B 20 4.344 -1.512 -3.424 1.00 0.00 H new ATOM 0 HA LEU B 20 1.853 -2.701 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.082 -1.203 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.585 -1.516 -0.440 1.00 0.00 H new ATOM 0 HG LEU B 20 4.149 -3.741 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.181 -4.181 0.433 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.665 -2.597 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.445 -2.692 1.073 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.965 -5.125 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.145 -3.672 0.520 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.832 -4.231 -1.141 1.00 0.00 H new ATOM 1056 N GLN B 21 2.112 0.573 -2.881 1.00 0.00 N ATOM 1057 CA GLN B 21 1.348 1.813 -2.929 1.00 0.00 C ATOM 1058 C GLN B 21 0.268 1.737 -4.002 1.00 0.00 C ATOM 1059 O GLN B 21 -0.868 2.159 -3.784 1.00 0.00 O ATOM 1060 CB GLN B 21 2.275 2.999 -3.202 1.00 0.00 C ATOM 1061 CG GLN B 21 1.552 4.334 -3.260 1.00 0.00 C ATOM 1062 CD GLN B 21 1.872 5.114 -4.520 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.010 5.313 -5.377 1.00 0.00 O ATOM 1064 NE2 GLN B 21 3.117 5.562 -4.640 1.00 0.00 N ATOM 0 H GLN B 21 3.101 0.678 -3.109 1.00 0.00 H new ATOM 0 HA GLN B 21 0.868 1.956 -1.961 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.037 3.041 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.794 2.835 -4.147 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.477 4.164 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN B 21 1.825 4.929 -2.389 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.800 5.374 -3.906 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.390 6.094 -5.466 1.00 0.00 H new ATOM 1073 N LYS B 22 0.627 1.194 -5.160 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.319 1.064 -6.263 1.00 0.00 C ATOM 1075 C LYS B 22 -1.460 0.125 -5.886 1.00 0.00 C ATOM 1076 O LYS B 22 -2.615 0.357 -6.247 1.00 0.00 O ATOM 1077 CB LYS B 22 0.394 0.544 -7.514 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.220 1.040 -8.813 1.00 0.00 C ATOM 1079 CD LYS B 22 -0.601 -0.114 -9.725 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.879 -0.794 -9.259 1.00 0.00 C ATOM 1081 NZ LYS B 22 -3.095 -0.093 -9.754 1.00 0.00 N ATOM 0 H LYS B 22 1.562 0.838 -5.359 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.735 2.049 -6.475 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.441 0.846 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.376 -0.546 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.104 1.639 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.487 1.692 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.733 0.253 -10.743 1.00 0.00 H new ATOM 0 HD3 LYS B 22 0.210 -0.841 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -1.888 -1.827 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.897 -0.825 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -3.944 -0.588 -9.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -3.100 0.885 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.092 -0.085 -10.794 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.129 -0.937 -5.157 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.124 -1.913 -4.730 1.00 0.00 C ATOM 1097 C GLU B 23 -3.141 -1.283 -3.781 1.00 0.00 C ATOM 1098 O GLU B 23 -4.336 -1.575 -3.854 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.443 -3.101 -4.050 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.790 -4.442 -4.677 1.00 0.00 C ATOM 1101 CD GLU B 23 -0.665 -4.995 -5.530 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.476 -4.493 -6.658 1.00 0.00 O ATOM 1103 OE2 GLU B 23 0.025 -5.930 -5.071 1.00 0.00 O ATOM 0 H GLU B 23 -0.178 -1.143 -4.850 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.653 -2.263 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.363 -2.960 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.726 -3.117 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.029 -5.156 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.685 -4.332 -5.289 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.662 -0.417 -2.893 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.544 0.245 -1.936 1.00 0.00 C ATOM 1112 C ILE B 24 -4.543 1.142 -2.671 1.00 0.00 C ATOM 1113 O ILE B 24 -5.714 1.223 -2.300 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.751 1.059 -0.858 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.560 2.531 -1.255 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.396 0.420 -0.587 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.731 3.407 -0.871 1.00 0.00 C ATOM 0 H ILE B 24 -1.678 -0.159 -2.816 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.090 -0.533 -1.402 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.352 1.037 0.051 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.657 2.914 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.406 2.593 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.863 1.002 0.165 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.540 -0.597 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.814 0.397 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.534 4.434 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.633 3.047 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.872 3.373 0.209 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.062 1.809 -3.717 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.901 2.695 -4.512 1.00 0.00 C ATOM 1131 C GLU B 25 -6.065 1.926 -5.123 1.00 0.00 C ATOM 1132 O GLU B 25 -7.204 2.390 -5.105 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.075 3.358 -5.617 1.00 0.00 C ATOM 1134 CG GLU B 25 -3.846 4.844 -5.395 1.00 0.00 C ATOM 1135 CD GLU B 25 -2.853 5.434 -6.378 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -2.363 4.684 -7.248 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -2.567 6.646 -6.278 1.00 0.00 O ATOM 0 H GLU B 25 -3.094 1.751 -4.032 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.301 3.468 -3.856 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.110 2.857 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.580 3.215 -6.572 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.796 5.371 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.485 5.005 -4.379 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.772 0.743 -5.655 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.801 -0.092 -6.261 1.00 0.00 C ATOM 1146 C ARG B 26 -7.918 -0.363 -5.262 1.00 0.00 C ATOM 1147 O ARG B 26 -9.098 -0.173 -5.563 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.199 -1.413 -6.745 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.215 -2.349 -7.378 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.666 -3.760 -7.511 1.00 0.00 C ATOM 1151 NE ARG B 26 -5.396 -3.787 -8.231 1.00 0.00 N ATOM 1152 CZ ARG B 26 -4.737 -4.904 -8.520 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -5.227 -6.080 -8.150 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -3.588 -4.847 -9.179 1.00 0.00 N ATOM 0 H ARG B 26 -4.834 0.343 -5.678 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.216 0.439 -7.118 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.413 -1.200 -7.469 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -5.728 -1.918 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.122 -2.366 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.495 -1.972 -8.362 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.530 -4.191 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -7.392 -4.384 -8.033 1.00 0.00 H new ATOM 0 HE ARG B 26 -4.992 -2.899 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.111 -6.128 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -4.720 -6.937 -8.373 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -3.208 -3.945 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -3.084 -5.706 -9.400 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.536 -0.797 -4.065 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.505 -1.081 -3.014 1.00 0.00 C ATOM 1170 C HIS B 27 -9.219 0.196 -2.582 1.00 0.00 C ATOM 1171 O HIS B 27 -10.331 0.149 -2.055 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.812 -1.727 -1.812 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.232 -3.143 -1.569 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.435 -3.483 -0.986 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.603 -4.312 -1.837 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -9.526 -4.798 -0.902 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -8.428 -5.324 -1.412 1.00 0.00 N ATOM 0 H HIS B 27 -6.565 -0.959 -3.800 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.245 -1.776 -3.410 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.733 -1.698 -1.966 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.023 -1.136 -0.921 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.633 -4.427 -2.299 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.357 -5.349 -0.487 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -8.225 -6.321 -1.479 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.572 1.337 -2.808 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.144 2.627 -2.443 1.00 0.00 C ATOM 1188 C LYS B 28 -10.195 3.062 -3.457 1.00 0.00 C ATOM 1189 O LYS B 28 -11.102 3.831 -3.136 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.044 3.686 -2.343 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.472 4.938 -1.596 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.599 6.130 -2.532 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.237 6.620 -2.996 1.00 0.00 C ATOM 1194 NZ LYS B 28 -7.294 7.199 -4.367 1.00 0.00 N ATOM 0 H LYS B 28 -7.651 1.393 -3.243 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.626 2.521 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.178 3.252 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.726 3.963 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.427 4.759 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.746 5.163 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.201 5.852 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.124 6.939 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.865 7.371 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -6.528 5.792 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.346 7.522 -4.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.625 6.475 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.951 8.005 -4.376 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.070 2.564 -4.683 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.011 2.899 -5.744 1.00 0.00 C ATOM 1210 C GLN B 29 -12.304 2.110 -5.582 1.00 0.00 C ATOM 1211 O GLN B 29 -13.396 2.636 -5.797 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.392 2.616 -7.114 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.253 3.080 -8.277 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.528 3.001 -9.606 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.848 2.165 -10.452 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -9.544 3.872 -9.797 1.00 0.00 N ATOM 0 H GLN B 29 -9.325 1.927 -4.966 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.241 3.962 -5.674 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.421 3.107 -7.173 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.214 1.545 -7.209 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.155 2.470 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.571 4.108 -8.101 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -9.312 4.548 -9.069 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.020 3.865 -10.672 1.00 0.00 H new ATOM 1225 N SER B 30 -12.172 0.844 -5.201 1.00 0.00 N ATOM 1226 CA SER B 30 -13.331 -0.019 -5.007 1.00 0.00 C ATOM 1227 C SER B 30 -14.115 0.392 -3.765 1.00 0.00 C ATOM 1228 O SER B 30 -15.346 0.350 -3.754 1.00 0.00 O ATOM 1229 CB SER B 30 -12.892 -1.480 -4.890 1.00 0.00 C ATOM 1230 OG SER B 30 -11.803 -1.614 -3.993 1.00 0.00 O ATOM 0 H SER B 30 -11.275 0.393 -5.021 1.00 0.00 H new ATOM 0 HA SER B 30 -13.981 0.088 -5.875 1.00 0.00 H new ATOM 0 HB2 SER B 30 -13.728 -2.088 -4.545 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.607 -1.857 -5.872 1.00 0.00 H new ATOM 0 HG SER B 30 -11.542 -2.557 -3.934 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.396 0.790 -2.720 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.028 1.207 -1.475 1.00 0.00 C ATOM 1238 C ILE B 31 -14.631 2.600 -1.610 1.00 0.00 C ATOM 1239 O ILE B 31 -15.608 2.933 -0.939 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.019 1.200 -0.311 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.687 1.641 0.989 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.837 2.098 -0.632 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.564 0.575 1.604 1.00 0.00 C ATOM 0 H ILE B 31 -12.377 0.832 -2.711 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.822 0.492 -1.260 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.657 0.181 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -12.917 1.926 1.706 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.288 2.530 0.797 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.132 2.083 0.200 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.342 1.739 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.188 3.118 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.007 0.955 2.525 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.355 0.306 0.904 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.963 -0.306 1.828 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.046 3.409 -2.488 1.00 0.00 N ATOM 1256 CA LYS B 32 -14.530 4.765 -2.716 1.00 0.00 C ATOM 1257 C LYS B 32 -15.793 4.748 -3.570 1.00 0.00 C ATOM 1258 O LYS B 32 -16.641 5.633 -3.461 1.00 0.00 O ATOM 1259 CB LYS B 32 -13.450 5.608 -3.396 1.00 0.00 C ATOM 1260 CG LYS B 32 -13.878 7.041 -3.666 1.00 0.00 C ATOM 1261 CD LYS B 32 -13.514 7.473 -5.078 1.00 0.00 C ATOM 1262 CE LYS B 32 -14.656 7.223 -6.049 1.00 0.00 C ATOM 1263 NZ LYS B 32 -14.297 7.611 -7.441 1.00 0.00 N ATOM 0 H LYS B 32 -13.237 3.149 -3.052 1.00 0.00 H new ATOM 0 HA LYS B 32 -14.769 5.209 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -12.558 5.616 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.173 5.137 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -14.954 7.134 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.401 7.706 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -13.258 8.533 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -12.628 6.930 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -14.928 6.168 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -15.533 7.786 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -15.102 7.425 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -14.062 8.624 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -13.476 7.056 -7.755 1.00 0.00 H new ATOM 1277 N LYS B 33 -15.913 3.731 -4.419 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.074 3.596 -5.290 1.00 0.00 C ATOM 1279 C LYS B 33 -18.267 3.046 -4.516 1.00 0.00 C ATOM 1280 O LYS B 33 -19.409 3.440 -4.752 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.750 2.679 -6.471 1.00 0.00 C ATOM 1282 CG LYS B 33 -16.392 3.430 -7.743 1.00 0.00 C ATOM 1283 CD LYS B 33 -17.306 3.041 -8.894 1.00 0.00 C ATOM 1284 CE LYS B 33 -18.531 3.939 -8.960 1.00 0.00 C ATOM 1285 NZ LYS B 33 -19.268 3.779 -10.244 1.00 0.00 N ATOM 0 H LYS B 33 -15.220 2.989 -4.521 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.331 4.585 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.920 2.028 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.608 2.036 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -16.464 4.503 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.357 3.220 -8.012 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.757 3.103 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.620 2.004 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -19.196 3.707 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.226 4.979 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -20.096 4.408 -10.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -18.641 4.024 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -19.582 2.793 -10.343 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.994 2.133 -3.588 1.00 0.00 N ATOM 1300 CA LEU B 34 -19.043 1.530 -2.777 1.00 0.00 C ATOM 1301 C LEU B 34 -19.563 2.520 -1.741 1.00 0.00 C ATOM 1302 O LEU B 34 -20.736 2.485 -1.367 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.520 0.272 -2.080 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.883 -1.046 -2.765 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -17.961 -2.162 -2.297 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -20.336 -1.404 -2.492 1.00 0.00 C ATOM 0 H LEU B 34 -17.054 1.796 -3.380 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.866 1.255 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.434 0.340 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.906 0.253 -1.061 1.00 0.00 H new ATOM 0 HG LEU B 34 -18.754 -0.923 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -18.234 -3.092 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -16.930 -1.909 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -18.058 -2.286 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -20.578 -2.345 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -20.489 -1.509 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.983 -0.615 -2.876 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.683 3.405 -1.281 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.055 4.407 -0.289 1.00 0.00 C ATOM 1320 C LYS B 35 -19.871 5.526 -0.927 1.00 0.00 C ATOM 1321 O LYS B 35 -20.806 6.050 -0.321 1.00 0.00 O ATOM 1322 CB LYS B 35 -17.804 4.986 0.375 1.00 0.00 C ATOM 1323 CG LYS B 35 -18.108 6.035 1.431 1.00 0.00 C ATOM 1324 CD LYS B 35 -17.296 7.301 1.208 1.00 0.00 C ATOM 1325 CE LYS B 35 -15.918 7.198 1.840 1.00 0.00 C ATOM 1326 NZ LYS B 35 -14.834 7.490 0.862 1.00 0.00 N ATOM 0 H LYS B 35 -17.709 3.448 -1.579 1.00 0.00 H new ATOM 0 HA LYS B 35 -19.669 3.922 0.470 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -17.237 4.175 0.832 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.167 5.428 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.171 6.275 1.412 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -17.890 5.631 2.420 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -17.194 7.485 0.139 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -17.828 8.154 1.629 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -15.849 7.894 2.676 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -15.779 6.196 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -13.910 7.409 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -14.883 6.810 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -14.951 8.455 0.492 1.00 0.00 H new ATOM 1340 N GLN B 36 -19.512 5.887 -2.156 1.00 0.00 N ATOM 1341 CA GLN B 36 -20.212 6.944 -2.876 1.00 0.00 C ATOM 1342 C GLN B 36 -21.588 6.470 -3.331 1.00 0.00 C ATOM 1343 O GLN B 36 -22.521 7.265 -3.454 1.00 0.00 O ATOM 1344 CB GLN B 36 -19.391 7.397 -4.085 1.00 0.00 C ATOM 1345 CG GLN B 36 -19.818 8.745 -4.640 1.00 0.00 C ATOM 1346 CD GLN B 36 -20.445 8.637 -6.015 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -20.159 7.707 -6.769 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -21.307 9.591 -6.350 1.00 0.00 N ATOM 0 H GLN B 36 -18.741 5.463 -2.673 1.00 0.00 H new ATOM 0 HA GLN B 36 -20.342 7.787 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -18.340 7.447 -3.802 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -19.474 6.647 -4.872 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -20.530 9.207 -3.956 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -18.951 9.404 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -21.515 10.344 -5.694 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -21.761 9.571 -7.263 1.00 0.00 H new ATOM 1357 N SER B 37 -21.709 5.170 -3.579 1.00 0.00 N ATOM 1358 CA SER B 37 -22.972 4.590 -4.019 1.00 0.00 C ATOM 1359 C SER B 37 -23.977 4.544 -2.874 1.00 0.00 C ATOM 1360 O SER B 37 -25.187 4.608 -3.094 1.00 0.00 O ATOM 1361 CB SER B 37 -22.745 3.181 -4.571 1.00 0.00 C ATOM 1362 OG SER B 37 -23.313 3.041 -5.862 1.00 0.00 O ATOM 0 H SER B 37 -20.947 4.498 -3.483 1.00 0.00 H new ATOM 0 HA SER B 37 -23.378 5.221 -4.809 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.676 2.973 -4.616 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.185 2.447 -3.895 1.00 0.00 H new ATOM 0 HG SER B 37 -23.153 2.133 -6.193 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.468 4.433 -1.651 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.323 4.380 -0.470 1.00 0.00 C ATOM 1370 C GLU B 38 -24.980 5.732 -0.214 1.00 0.00 C ATOM 1371 O GLU B 38 -26.046 5.809 0.398 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.510 3.954 0.754 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.342 3.269 1.827 1.00 0.00 C ATOM 1374 CD GLU B 38 -23.553 3.006 3.095 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -22.576 2.229 3.036 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -23.913 3.575 4.147 1.00 0.00 O ATOM 0 H GLU B 38 -22.469 4.378 -1.452 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.107 3.644 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.716 3.279 0.436 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -23.029 4.832 1.184 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.206 3.890 2.063 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -24.724 2.325 1.438 1.00 0.00 H new ATOM 1383 N ASP B 39 -24.337 6.796 -0.684 1.00 0.00 N ATOM 1384 CA ASP B 39 -24.861 8.145 -0.505 1.00 0.00 C ATOM 1385 C ASP B 39 -25.233 8.767 -1.847 1.00 0.00 C ATOM 1386 O ASP B 39 -25.247 9.989 -1.994 1.00 0.00 O ATOM 1387 CB ASP B 39 -23.830 9.024 0.208 1.00 0.00 C ATOM 1388 CG ASP B 39 -24.412 9.732 1.416 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -24.967 9.043 2.298 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -24.313 10.975 1.480 1.00 0.00 O ATOM 0 H ASP B 39 -23.453 6.750 -1.191 1.00 0.00 H new ATOM 0 HA ASP B 39 -25.760 8.080 0.107 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -22.987 8.409 0.522 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -23.441 9.764 -0.492 1.00 0.00 H new ATOM 1395 N ASP B 40 -25.536 7.918 -2.824 1.00 0.00 N ATOM 1396 CA ASP B 40 -25.908 8.385 -4.154 1.00 0.00 C ATOM 1397 C ASP B 40 -27.403 8.201 -4.396 1.00 0.00 C ATOM 1398 O ASP B 40 -28.140 9.174 -4.554 1.00 0.00 O ATOM 1399 CB ASP B 40 -25.111 7.635 -5.223 1.00 0.00 C ATOM 1400 CG ASP B 40 -25.269 8.250 -6.600 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -26.414 8.307 -7.097 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -24.248 8.675 -7.181 1.00 0.00 O ATOM 0 H ASP B 40 -25.531 6.903 -2.719 1.00 0.00 H new ATOM 0 HA ASP B 40 -25.675 9.448 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -24.056 7.630 -4.949 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -25.437 6.595 -5.253 1.00 0.00 H new ATOM 1407 N ASP B 41 -27.844 6.948 -4.422 1.00 0.00 N ATOM 1408 CA ASP B 41 -29.251 6.637 -4.644 1.00 0.00 C ATOM 1409 C ASP B 41 -30.090 7.015 -3.428 1.00 0.00 C ATOM 1410 O ASP B 41 -29.827 6.469 -2.336 1.00 0.00 O ATOM 1411 CB ASP B 41 -29.423 5.149 -4.955 1.00 0.00 C ATOM 1412 CG ASP B 41 -29.637 4.888 -6.433 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -30.031 5.831 -7.151 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -29.410 3.741 -6.872 1.00 0.00 O ATOM 1415 OXT ASP B 41 -31.003 7.853 -3.578 1.00 0.00 O ATOM 0 H ASP B 41 -27.247 6.131 -4.292 1.00 0.00 H new ATOM 0 HA ASP B 41 -29.597 7.221 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -28.541 4.606 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -30.272 4.759 -4.393 1.00 0.00 H new TER 1420 ASP B 41