USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1094 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 24 HIS : no HD1:sc= 0 K(o=-0.97,f=-1.6) USER MOD Set 1.2: B 46 MET CE :methyl 163:sc= -0.975 (180deg=-2.05) USER MOD Set 2.1: B 5 GLN : amide:sc= -0.115 K(o=1.1,f=-5.5!) USER MOD Set 2.2: B 8 ASN : amide:sc= 1.18 K(o=1.1,f=-1.3) USER MOD Set 3.1: A 51 LYS NZ :NH3+ 153:sc= 1.3 (180deg=0) USER MOD Set 3.2: A 61 HIS : no HE2:sc= 0.774 K(o=2.1,f=-6.5!) USER MOD Set 4.1: A 46 MET CE :methyl 161:sc= -3.93! (180deg=-5.94!) USER MOD Set 4.2: B 24 HIS : no HD1:sc= -0.919 K(o=-4.9,f=-6.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 130:sc= 0.154 (180deg=0) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.115 (180deg=-0.58) USER MOD Single : A 5 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 1.18 (180deg=1.08) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.14) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.992) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= -0.0187 (180deg=-0.13) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.11) USER MOD Single : A 35 SER OG : rot -85:sc= 1.2 USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= 0.346 (180deg=-0.941!) USER MOD Single : A 43 ASN : amide:sc= 0.126 K(o=0.13,f=-0.88) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -1.77! C(o=-1.8!,f=-5.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.274 K(o=0.27,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.558 K(o=-0.56,f=-0.014) USER MOD Single : A 59 HIS : no HE2:sc= 0.829 K(o=0.83,f=-2.7!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -165:sc= -0.0316 (180deg=-0.253) USER MOD Single : B 3 MET CE :methyl -170:sc= -0.0139 (180deg=-0.165) USER MOD Single : B 7 LYS NZ :NH3+ -170:sc= 1.18 (180deg=0.751) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0.569 K(o=0.57,f=-0.02) USER MOD Single : B 13 LYS NZ :NH3+ 166:sc= 0.714 (180deg=0.6) USER MOD Single : B 14 LYS NZ :NH3+ 174:sc= 1.69 (180deg=1.54) USER MOD Single : B 15 LYS NZ :NH3+ 170:sc=-0.00997 (180deg=-0.131) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : B 28 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.0076) USER MOD Single : B 30 LYS NZ :NH3+ -146:sc= 0.571 (180deg=-0.795) USER MOD Single : B 35 SER OG : rot -80:sc= 1.09 USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= 0.473 K(o=0.47,f=-0.6) USER MOD Single : B 44 LYS NZ :NH3+ -170:sc=-0.00258 (180deg=-0.119) USER MOD Single : B 47 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.93) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-4.6!) USER MOD Single : B 54 LYS NZ :NH3+ -167:sc= -0.0275 (180deg=-0.228) USER MOD Single : B 57 HIS : no HD1:sc=-0.00438 X(o=-0.0044,f=-0.0044) USER MOD Single : B 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 61 HIS : no HE2:sc= 0.557 K(o=0.56,f=-1.9!) USER MOD Single : B 62 HIS : no HE2:sc= 0.6 K(o=0.6,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.637 -15.582 -4.793 1.00 0.00 N ATOM 2 CA MET A 1 16.640 -15.254 -3.784 1.00 0.00 C ATOM 3 C MET A 1 16.128 -15.731 -2.450 1.00 0.00 C ATOM 4 O MET A 1 14.914 -15.825 -2.275 1.00 0.00 O ATOM 5 CB MET A 1 16.925 -13.738 -3.754 1.00 0.00 C ATOM 6 CG MET A 1 18.068 -13.344 -2.828 1.00 0.00 C ATOM 7 SD MET A 1 18.395 -11.576 -2.812 1.00 0.00 S ATOM 8 CE MET A 1 19.792 -11.524 -1.684 1.00 0.00 C ATOM 0 H1 MET A 1 15.434 -14.739 -5.367 1.00 0.00 H new ATOM 0 H2 MET A 1 15.997 -16.340 -5.407 1.00 0.00 H new ATOM 0 H3 MET A 1 14.765 -15.900 -4.325 1.00 0.00 H new ATOM 0 HA MET A 1 17.582 -15.748 -4.023 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.157 -13.402 -4.765 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.021 -13.214 -3.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.835 -13.672 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.972 -13.871 -3.134 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.122 -10.493 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.493 -11.927 -0.716 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.609 -12.121 -2.089 1.00 0.00 H new ATOM 20 N GLU A 2 17.045 -16.080 -1.542 1.00 0.00 N ATOM 21 CA GLU A 2 16.721 -16.616 -0.210 1.00 0.00 C ATOM 22 C GLU A 2 15.630 -15.804 0.473 1.00 0.00 C ATOM 23 O GLU A 2 15.817 -14.615 0.735 1.00 0.00 O ATOM 24 CB GLU A 2 17.979 -16.643 0.661 1.00 0.00 C ATOM 25 CG GLU A 2 19.142 -17.388 0.023 1.00 0.00 C ATOM 26 CD GLU A 2 18.769 -18.785 -0.389 1.00 0.00 C ATOM 27 OE1 GLU A 2 18.848 -19.695 0.449 1.00 0.00 O ATOM 28 OE2 GLU A 2 18.377 -18.993 -1.561 1.00 0.00 O ATOM 0 H GLU A 2 18.048 -15.998 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 2 16.346 -17.631 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.286 -15.619 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.740 -17.109 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 2 19.490 -16.835 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 2 19.974 -17.429 0.726 1.00 0.00 H new ATOM 35 N MET A 3 14.501 -16.457 0.759 1.00 0.00 N ATOM 36 CA MET A 3 13.306 -15.805 1.318 1.00 0.00 C ATOM 37 C MET A 3 13.598 -15.038 2.601 1.00 0.00 C ATOM 38 O MET A 3 13.030 -13.969 2.821 1.00 0.00 O ATOM 39 CB MET A 3 12.141 -16.793 1.548 1.00 0.00 C ATOM 40 CG MET A 3 12.438 -17.920 2.547 1.00 0.00 C ATOM 41 SD MET A 3 10.991 -18.929 2.964 1.00 0.00 S ATOM 42 CE MET A 3 9.936 -17.716 3.775 1.00 0.00 C ATOM 0 H MET A 3 14.386 -17.459 0.610 1.00 0.00 H new ATOM 0 HA MET A 3 12.996 -15.086 0.559 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.274 -16.234 1.900 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.867 -17.238 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.212 -18.566 2.132 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.842 -17.485 3.461 1.00 0.00 H new ATOM 0 HE1 MET A 3 9.196 -18.230 4.388 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.545 -17.069 4.407 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.428 -17.114 3.022 1.00 0.00 H new ATOM 52 N GLY A 4 14.510 -15.562 3.415 1.00 0.00 N ATOM 53 CA GLY A 4 14.863 -14.919 4.666 1.00 0.00 C ATOM 54 C GLY A 4 15.460 -13.545 4.451 1.00 0.00 C ATOM 55 O GLY A 4 15.239 -12.629 5.243 1.00 0.00 O ATOM 0 H GLY A 4 15.014 -16.428 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.975 -14.834 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.575 -15.543 5.206 1.00 0.00 H new ATOM 59 N GLN A 5 16.213 -13.407 3.380 1.00 0.00 N ATOM 60 CA GLN A 5 16.811 -12.141 3.012 1.00 0.00 C ATOM 61 C GLN A 5 15.880 -11.327 2.150 1.00 0.00 C ATOM 62 O GLN A 5 15.763 -10.124 2.319 1.00 0.00 O ATOM 63 CB GLN A 5 18.158 -12.338 2.315 1.00 0.00 C ATOM 64 CG GLN A 5 19.254 -12.797 3.251 1.00 0.00 C ATOM 65 CD GLN A 5 19.475 -11.798 4.372 1.00 0.00 C ATOM 66 OE1 GLN A 5 19.269 -10.598 4.205 1.00 0.00 O ATOM 67 NE2 GLN A 5 19.878 -12.271 5.507 1.00 0.00 N ATOM 0 H GLN A 5 16.428 -14.171 2.739 1.00 0.00 H new ATOM 0 HA GLN A 5 16.990 -11.588 3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.042 -13.070 1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.458 -11.400 1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.993 -13.768 3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.180 -12.931 2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.040 -13.272 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.034 -11.642 6.295 1.00 0.00 H new ATOM 76 N LEU A 6 15.193 -12.004 1.252 1.00 0.00 N ATOM 77 CA LEU A 6 14.289 -11.369 0.310 1.00 0.00 C ATOM 78 C LEU A 6 13.171 -10.614 1.052 1.00 0.00 C ATOM 79 O LEU A 6 12.978 -9.418 0.833 1.00 0.00 O ATOM 80 CB LEU A 6 13.755 -12.441 -0.690 1.00 0.00 C ATOM 81 CG LEU A 6 12.919 -11.983 -1.915 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.515 -11.591 -1.529 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.612 -10.842 -2.649 1.00 0.00 C ATOM 0 H LEU A 6 15.246 -13.018 1.153 1.00 0.00 H new ATOM 0 HA LEU A 6 14.819 -10.615 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.615 -12.995 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.147 -13.145 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 6 12.844 -12.837 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.967 -11.278 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.011 -12.444 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.550 -10.768 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.007 -10.538 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.735 -9.996 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.590 -11.174 -2.997 1.00 0.00 H new ATOM 95 N LYS A 7 12.493 -11.293 1.976 1.00 0.00 N ATOM 96 CA LYS A 7 11.414 -10.664 2.748 1.00 0.00 C ATOM 97 C LYS A 7 11.987 -9.587 3.668 1.00 0.00 C ATOM 98 O LYS A 7 11.326 -8.609 3.980 1.00 0.00 O ATOM 99 CB LYS A 7 10.638 -11.719 3.556 1.00 0.00 C ATOM 100 CG LYS A 7 9.137 -11.797 3.232 1.00 0.00 C ATOM 101 CD LYS A 7 8.320 -10.601 3.763 1.00 0.00 C ATOM 102 CE LYS A 7 8.185 -10.637 5.287 1.00 0.00 C ATOM 103 NZ LYS A 7 7.269 -9.589 5.807 1.00 0.00 N ATOM 0 H LYS A 7 12.667 -12.271 2.210 1.00 0.00 H new ATOM 0 HA LYS A 7 10.717 -10.193 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.086 -12.696 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.756 -11.504 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.011 -11.859 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.732 -12.717 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.801 -9.670 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.329 -10.608 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.819 -11.617 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.169 -10.510 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.331 -9.558 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.542 -8.665 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.293 -9.810 5.525 1.00 0.00 H new ATOM 117 N ASN A 8 13.236 -9.778 4.069 1.00 0.00 N ATOM 118 CA ASN A 8 13.954 -8.826 4.919 1.00 0.00 C ATOM 119 C ASN A 8 14.199 -7.516 4.167 1.00 0.00 C ATOM 120 O ASN A 8 14.036 -6.427 4.723 1.00 0.00 O ATOM 121 CB ASN A 8 15.281 -9.440 5.398 1.00 0.00 C ATOM 122 CG ASN A 8 16.114 -8.521 6.273 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.923 -8.472 7.494 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.071 -7.846 5.685 1.00 0.00 N ATOM 0 H ASN A 8 13.786 -10.599 3.816 1.00 0.00 H new ATOM 0 HA ASN A 8 13.342 -8.604 5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.066 -10.354 5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.871 -9.726 4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.691 -7.253 6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.196 -7.913 4.675 1.00 0.00 H new ATOM 131 N LYS A 9 14.569 -7.628 2.892 1.00 0.00 N ATOM 132 CA LYS A 9 14.791 -6.450 2.057 1.00 0.00 C ATOM 133 C LYS A 9 13.461 -5.761 1.804 1.00 0.00 C ATOM 134 O LYS A 9 13.385 -4.529 1.775 1.00 0.00 O ATOM 135 CB LYS A 9 15.457 -6.810 0.716 1.00 0.00 C ATOM 136 CG LYS A 9 16.777 -7.577 0.834 1.00 0.00 C ATOM 137 CD LYS A 9 17.846 -6.836 1.640 1.00 0.00 C ATOM 138 CE LYS A 9 18.304 -5.539 0.976 1.00 0.00 C ATOM 139 NZ LYS A 9 19.398 -4.894 1.743 1.00 0.00 N ATOM 0 H LYS A 9 14.721 -8.518 2.417 1.00 0.00 H new ATOM 0 HA LYS A 9 15.469 -5.782 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.759 -7.407 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.637 -5.891 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.586 -8.543 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.162 -7.778 -0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.454 -6.611 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.707 -7.490 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.643 -5.748 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.461 -4.853 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.686 -4.016 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.065 -4.673 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.211 -5.540 1.799 1.00 0.00 H new ATOM 153 N ILE A 10 12.417 -6.575 1.630 1.00 0.00 N ATOM 154 CA ILE A 10 11.052 -6.083 1.475 1.00 0.00 C ATOM 155 C ILE A 10 10.670 -5.246 2.688 1.00 0.00 C ATOM 156 O ILE A 10 10.248 -4.105 2.534 1.00 0.00 O ATOM 157 CB ILE A 10 10.031 -7.255 1.275 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.292 -7.956 -0.063 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.579 -6.774 1.365 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.358 -9.112 -0.361 1.00 0.00 C ATOM 0 H ILE A 10 12.497 -7.591 1.593 1.00 0.00 H new ATOM 0 HA ILE A 10 11.014 -5.464 0.579 1.00 0.00 H new ATOM 0 HB ILE A 10 10.180 -7.969 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.209 -7.223 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.318 -8.323 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.906 -7.619 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.402 -6.333 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.395 -6.027 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.615 -9.548 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.456 -9.869 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.330 -8.751 -0.388 1.00 0.00 H new ATOM 172 N GLU A 11 10.869 -5.808 3.889 1.00 0.00 N ATOM 173 CA GLU A 11 10.588 -5.106 5.144 1.00 0.00 C ATOM 174 C GLU A 11 11.272 -3.770 5.191 1.00 0.00 C ATOM 175 O GLU A 11 10.626 -2.747 5.374 1.00 0.00 O ATOM 176 CB GLU A 11 11.036 -5.930 6.355 1.00 0.00 C ATOM 177 CG GLU A 11 10.232 -7.183 6.582 1.00 0.00 C ATOM 178 CD GLU A 11 8.782 -6.872 6.743 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.366 -6.434 7.825 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.011 -7.055 5.788 1.00 0.00 O ATOM 0 H GLU A 11 11.227 -6.755 4.015 1.00 0.00 H new ATOM 0 HA GLU A 11 9.509 -4.960 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.084 -6.202 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.975 -5.306 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.369 -7.864 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.597 -7.697 7.471 1.00 0.00 H new ATOM 187 N ASN A 12 12.559 -3.786 4.954 1.00 0.00 N ATOM 188 CA ASN A 12 13.386 -2.597 5.021 1.00 0.00 C ATOM 189 C ASN A 12 12.924 -1.528 4.029 1.00 0.00 C ATOM 190 O ASN A 12 12.725 -0.375 4.406 1.00 0.00 O ATOM 191 CB ASN A 12 14.857 -2.966 4.783 1.00 0.00 C ATOM 192 CG ASN A 12 15.806 -1.779 4.858 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.572 -0.811 5.572 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.894 -1.860 4.144 1.00 0.00 N ATOM 0 H ASN A 12 13.073 -4.632 4.706 1.00 0.00 H new ATOM 0 HA ASN A 12 13.285 -2.172 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.160 -3.709 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.951 -3.433 3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.579 -1.104 4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.060 -2.679 3.559 1.00 0.00 H new ATOM 201 N LYS A 13 12.686 -1.924 2.785 1.00 0.00 N ATOM 202 CA LYS A 13 12.312 -0.970 1.747 1.00 0.00 C ATOM 203 C LYS A 13 10.903 -0.415 1.995 1.00 0.00 C ATOM 204 O LYS A 13 10.643 0.773 1.786 1.00 0.00 O ATOM 205 CB LYS A 13 12.409 -1.602 0.355 1.00 0.00 C ATOM 206 CG LYS A 13 12.384 -0.585 -0.789 1.00 0.00 C ATOM 207 CD LYS A 13 13.583 0.354 -0.738 1.00 0.00 C ATOM 208 CE LYS A 13 14.919 -0.364 -0.913 1.00 0.00 C ATOM 209 NZ LYS A 13 15.082 -0.960 -2.264 1.00 0.00 N ATOM 0 H LYS A 13 12.745 -2.893 2.471 1.00 0.00 H new ATOM 0 HA LYS A 13 13.017 -0.140 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.330 -2.182 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.583 -2.301 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.375 -1.112 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.464 -0.003 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.479 1.108 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.583 0.880 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.731 0.340 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.005 -1.149 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.071 -1.253 -2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.460 -1.789 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.829 -0.256 -2.987 1.00 0.00 H new ATOM 223 N LYS A 14 10.019 -1.283 2.448 1.00 0.00 N ATOM 224 CA LYS A 14 8.664 -0.922 2.831 1.00 0.00 C ATOM 225 C LYS A 14 8.706 0.120 3.955 1.00 0.00 C ATOM 226 O LYS A 14 8.011 1.125 3.909 1.00 0.00 O ATOM 227 CB LYS A 14 7.937 -2.196 3.291 1.00 0.00 C ATOM 228 CG LYS A 14 6.582 -1.990 3.942 1.00 0.00 C ATOM 229 CD LYS A 14 6.085 -3.272 4.608 1.00 0.00 C ATOM 230 CE LYS A 14 6.876 -3.612 5.863 1.00 0.00 C ATOM 231 NZ LYS A 14 6.453 -4.901 6.466 1.00 0.00 N ATOM 0 H LYS A 14 10.224 -2.276 2.563 1.00 0.00 H new ATOM 0 HA LYS A 14 8.130 -0.486 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.808 -2.849 2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.580 -2.723 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.650 -1.195 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.861 -1.665 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.031 -3.162 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.157 -4.098 3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.937 -3.659 5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.752 -2.814 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.812 -4.963 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.414 -4.956 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.836 -5.689 5.906 1.00 0.00 H new ATOM 245 N LYS A 15 9.559 -0.127 4.932 1.00 0.00 N ATOM 246 CA LYS A 15 9.753 0.767 6.066 1.00 0.00 C ATOM 247 C LYS A 15 10.279 2.110 5.619 1.00 0.00 C ATOM 248 O LYS A 15 9.808 3.139 6.089 1.00 0.00 O ATOM 249 CB LYS A 15 10.668 0.137 7.114 1.00 0.00 C ATOM 250 CG LYS A 15 10.040 -1.062 7.815 1.00 0.00 C ATOM 251 CD LYS A 15 11.032 -1.807 8.703 1.00 0.00 C ATOM 252 CE LYS A 15 11.528 -0.960 9.880 1.00 0.00 C ATOM 253 NZ LYS A 15 10.424 -0.514 10.763 1.00 0.00 N ATOM 0 H LYS A 15 10.144 -0.962 4.964 1.00 0.00 H new ATOM 0 HA LYS A 15 8.780 0.930 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.597 -0.175 6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.929 0.889 7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.198 -0.725 8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.641 -1.748 7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.561 -2.712 9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.886 -2.121 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.244 -1.538 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.058 -0.088 9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.819 -0.109 11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.857 0.207 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.820 -1.327 11.001 1.00 0.00 H new ATOM 267 N GLU A 16 11.237 2.095 4.694 1.00 0.00 N ATOM 268 CA GLU A 16 11.781 3.325 4.108 1.00 0.00 C ATOM 269 C GLU A 16 10.661 4.159 3.504 1.00 0.00 C ATOM 270 O GLU A 16 10.616 5.378 3.665 1.00 0.00 O ATOM 271 CB GLU A 16 12.803 2.998 3.019 1.00 0.00 C ATOM 272 CG GLU A 16 14.073 2.347 3.515 1.00 0.00 C ATOM 273 CD GLU A 16 14.840 3.235 4.446 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.351 4.280 3.999 1.00 0.00 O ATOM 275 OE2 GLU A 16 14.997 2.883 5.629 1.00 0.00 O ATOM 0 H GLU A 16 11.657 1.240 4.330 1.00 0.00 H new ATOM 0 HA GLU A 16 12.271 3.889 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.335 2.339 2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.064 3.919 2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.826 1.416 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.702 2.087 2.664 1.00 0.00 H new ATOM 282 N LEU A 17 9.741 3.482 2.846 1.00 0.00 N ATOM 283 CA LEU A 17 8.606 4.124 2.236 1.00 0.00 C ATOM 284 C LEU A 17 7.696 4.723 3.289 1.00 0.00 C ATOM 285 O LEU A 17 7.229 5.850 3.142 1.00 0.00 O ATOM 286 CB LEU A 17 7.800 3.138 1.436 1.00 0.00 C ATOM 287 CG LEU A 17 6.467 3.675 0.972 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.574 4.596 -0.192 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.474 2.599 0.803 1.00 0.00 C ATOM 0 H LEU A 17 9.764 2.470 2.722 1.00 0.00 H new ATOM 0 HA LEU A 17 8.992 4.908 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.380 2.830 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.632 2.246 2.039 1.00 0.00 H new ATOM 0 HG LEU A 17 6.086 4.309 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.580 4.944 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.196 5.450 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.025 4.069 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.528 3.026 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.833 1.886 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.325 2.089 1.755 1.00 0.00 H new ATOM 301 N ILE A 18 7.431 3.952 4.335 1.00 0.00 N ATOM 302 CA ILE A 18 6.564 4.394 5.418 1.00 0.00 C ATOM 303 C ILE A 18 7.110 5.668 6.021 1.00 0.00 C ATOM 304 O ILE A 18 6.371 6.601 6.254 1.00 0.00 O ATOM 305 CB ILE A 18 6.405 3.321 6.523 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.834 2.031 5.927 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.477 3.852 7.622 1.00 0.00 C ATOM 308 CD1 ILE A 18 5.909 0.837 6.846 1.00 0.00 C ATOM 0 H ILE A 18 7.807 3.012 4.456 1.00 0.00 H new ATOM 0 HA ILE A 18 5.577 4.572 4.992 1.00 0.00 H new ATOM 0 HB ILE A 18 7.382 3.101 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.792 2.200 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.371 1.801 5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.365 3.097 8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.905 4.757 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.501 4.080 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.484 -0.034 6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.950 0.638 7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.347 1.043 7.757 1.00 0.00 H new ATOM 320 N GLN A 19 8.419 5.703 6.217 1.00 0.00 N ATOM 321 CA GLN A 19 9.107 6.877 6.738 1.00 0.00 C ATOM 322 C GLN A 19 8.873 8.062 5.820 1.00 0.00 C ATOM 323 O GLN A 19 8.629 9.178 6.273 1.00 0.00 O ATOM 324 CB GLN A 19 10.595 6.609 6.815 1.00 0.00 C ATOM 325 CG GLN A 19 10.975 5.455 7.709 1.00 0.00 C ATOM 326 CD GLN A 19 12.425 5.087 7.551 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.265 5.939 7.266 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.731 3.829 7.702 1.00 0.00 N ATOM 0 H GLN A 19 9.037 4.916 6.019 1.00 0.00 H new ATOM 0 HA GLN A 19 8.718 7.097 7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.969 6.413 5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.096 7.509 7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.777 5.718 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.352 4.592 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.005 3.152 7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.696 3.521 7.584 1.00 0.00 H new ATOM 337 N LEU A 20 8.927 7.803 4.528 1.00 0.00 N ATOM 338 CA LEU A 20 8.716 8.822 3.535 1.00 0.00 C ATOM 339 C LEU A 20 7.274 9.347 3.554 1.00 0.00 C ATOM 340 O LEU A 20 7.072 10.565 3.599 1.00 0.00 O ATOM 341 CB LEU A 20 9.128 8.351 2.138 1.00 0.00 C ATOM 342 CG LEU A 20 10.608 7.990 1.949 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.855 7.509 0.534 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.510 9.178 2.265 1.00 0.00 C ATOM 0 H LEU A 20 9.119 6.878 4.144 1.00 0.00 H new ATOM 0 HA LEU A 20 9.365 9.658 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.528 7.478 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.873 9.135 1.424 1.00 0.00 H new ATOM 0 HG LEU A 20 10.850 7.187 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.909 7.257 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.246 6.627 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.589 8.297 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.552 8.892 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.267 10.007 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.357 9.486 3.299 1.00 0.00 H new ATOM 356 N VAL A 21 6.259 8.455 3.539 1.00 0.00 N ATOM 357 CA VAL A 21 4.893 8.920 3.618 1.00 0.00 C ATOM 358 C VAL A 21 4.614 9.591 4.994 1.00 0.00 C ATOM 359 O VAL A 21 3.796 10.501 5.102 1.00 0.00 O ATOM 360 CB VAL A 21 3.857 7.796 3.340 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.248 6.901 2.200 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.454 7.022 4.559 1.00 0.00 C ATOM 0 H VAL A 21 6.372 7.443 3.475 1.00 0.00 H new ATOM 0 HA VAL A 21 4.773 9.664 2.830 1.00 0.00 H new ATOM 0 HB VAL A 21 2.959 8.326 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.483 6.138 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.344 7.492 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.201 6.422 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.729 6.257 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.333 6.548 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.007 7.698 5.288 1.00 0.00 H new ATOM 372 N ALA A 22 5.295 9.114 6.030 1.00 0.00 N ATOM 373 CA ALA A 22 5.145 9.638 7.374 1.00 0.00 C ATOM 374 C ALA A 22 5.646 11.066 7.466 1.00 0.00 C ATOM 375 O ALA A 22 4.926 11.954 7.941 1.00 0.00 O ATOM 376 CB ALA A 22 5.863 8.753 8.373 1.00 0.00 C ATOM 0 H ALA A 22 5.968 8.351 5.957 1.00 0.00 H new ATOM 0 HA ALA A 22 4.082 9.642 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.740 9.162 9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.443 7.748 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.924 8.712 8.126 1.00 0.00 H new ATOM 382 N ARG A 23 6.856 11.295 6.950 1.00 0.00 N ATOM 383 CA ARG A 23 7.484 12.616 6.981 1.00 0.00 C ATOM 384 C ARG A 23 6.747 13.612 6.093 1.00 0.00 C ATOM 385 O ARG A 23 6.949 14.821 6.211 1.00 0.00 O ATOM 386 CB ARG A 23 8.982 12.557 6.647 1.00 0.00 C ATOM 387 CG ARG A 23 9.313 12.147 5.228 1.00 0.00 C ATOM 388 CD ARG A 23 10.817 12.035 5.007 1.00 0.00 C ATOM 389 NE ARG A 23 11.525 13.303 5.280 1.00 0.00 N ATOM 390 CZ ARG A 23 12.394 13.908 4.445 1.00 0.00 C ATOM 391 NH1 ARG A 23 12.664 13.371 3.257 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.990 15.041 4.811 1.00 0.00 N ATOM 0 H ARG A 23 7.424 10.575 6.502 1.00 0.00 H new ATOM 0 HA ARG A 23 7.406 12.976 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.418 13.538 6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.463 11.858 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.841 11.190 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.897 12.876 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.218 11.253 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.008 11.730 3.978 1.00 0.00 H new ATOM 0 HE ARG A 23 11.341 13.758 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.213 12.500 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.322 13.831 2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.789 15.451 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.647 15.499 4.179 1.00 0.00 H new ATOM 406 N HIS A 24 5.937 13.089 5.163 1.00 0.00 N ATOM 407 CA HIS A 24 5.051 13.914 4.338 1.00 0.00 C ATOM 408 C HIS A 24 4.160 14.762 5.255 1.00 0.00 C ATOM 409 O HIS A 24 3.918 15.945 5.000 1.00 0.00 O ATOM 410 CB HIS A 24 4.161 13.006 3.443 1.00 0.00 C ATOM 411 CG HIS A 24 3.079 13.726 2.661 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.792 13.935 3.128 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.115 14.278 1.429 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.113 14.591 2.186 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.871 14.827 1.129 1.00 0.00 N ATOM 0 H HIS A 24 5.879 12.090 4.964 1.00 0.00 H new ATOM 0 HA HIS A 24 5.650 14.563 3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.803 12.476 2.739 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.690 12.252 4.074 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.976 14.292 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.079 14.890 2.275 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.601 15.310 0.272 1.00 0.00 H new ATOM 423 N GLY A 25 3.701 14.143 6.322 1.00 0.00 N ATOM 424 CA GLY A 25 2.856 14.820 7.254 1.00 0.00 C ATOM 425 C GLY A 25 1.812 13.912 7.844 1.00 0.00 C ATOM 426 O GLY A 25 0.641 14.261 7.890 1.00 0.00 O ATOM 0 H GLY A 25 3.905 13.171 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.465 15.238 8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.367 15.657 6.756 1.00 0.00 H new ATOM 430 N LEU A 26 2.206 12.731 8.258 1.00 0.00 N ATOM 431 CA LEU A 26 1.270 11.845 8.909 1.00 0.00 C ATOM 432 C LEU A 26 1.319 11.987 10.378 1.00 0.00 C ATOM 433 O LEU A 26 2.379 12.264 10.953 1.00 0.00 O ATOM 434 CB LEU A 26 1.504 10.376 8.576 1.00 0.00 C ATOM 435 CG LEU A 26 1.107 9.921 7.206 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.235 8.423 7.049 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.265 10.419 6.807 1.00 0.00 C ATOM 0 H LEU A 26 3.153 12.365 8.158 1.00 0.00 H new ATOM 0 HA LEU A 26 0.293 12.142 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.564 10.162 8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.962 9.772 9.304 1.00 0.00 H new ATOM 0 HG LEU A 26 1.814 10.375 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.937 8.136 6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.270 8.126 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.591 7.925 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.505 10.061 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.007 10.046 7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.273 11.509 6.814 1.00 0.00 H new ATOM 449 N ASP A 27 0.177 11.788 10.990 1.00 0.00 N ATOM 450 CA ASP A 27 0.092 11.701 12.438 1.00 0.00 C ATOM 451 C ASP A 27 0.840 10.457 12.825 1.00 0.00 C ATOM 452 O ASP A 27 1.003 9.548 11.987 1.00 0.00 O ATOM 453 CB ASP A 27 -1.357 11.498 12.939 1.00 0.00 C ATOM 454 CG ASP A 27 -2.345 12.579 12.576 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.516 13.523 13.361 1.00 0.00 O ATOM 456 OD2 ASP A 27 -3.014 12.460 11.519 1.00 0.00 O ATOM 0 H ASP A 27 -0.716 11.682 10.509 1.00 0.00 H new ATOM 0 HA ASP A 27 0.483 12.625 12.864 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.726 10.551 12.546 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.334 11.405 14.025 1.00 0.00 H new ATOM 461 N HIS A 28 1.247 10.354 14.054 1.00 0.00 N ATOM 462 CA HIS A 28 1.932 9.148 14.491 1.00 0.00 C ATOM 463 C HIS A 28 0.986 7.952 14.397 1.00 0.00 C ATOM 464 O HIS A 28 1.389 6.854 14.022 1.00 0.00 O ATOM 465 CB HIS A 28 2.555 9.310 15.881 1.00 0.00 C ATOM 466 CG HIS A 28 3.676 10.317 15.904 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.986 10.005 15.634 1.00 0.00 N ATOM 468 CD2 HIS A 28 3.655 11.653 16.139 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.707 11.120 15.704 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.947 12.161 16.007 1.00 0.00 N ATOM 0 H HIS A 28 1.126 11.070 14.770 1.00 0.00 H new ATOM 0 HA HIS A 28 2.771 8.961 13.821 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.783 9.616 16.587 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.932 8.345 16.220 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.777 12.231 16.389 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.773 11.170 15.536 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.244 13.130 16.120 1.00 0.00 H new ATOM 478 N ASP A 29 -0.295 8.214 14.646 1.00 0.00 N ATOM 479 CA ASP A 29 -1.351 7.216 14.482 1.00 0.00 C ATOM 480 C ASP A 29 -1.510 6.812 13.035 1.00 0.00 C ATOM 481 O ASP A 29 -1.778 5.649 12.742 1.00 0.00 O ATOM 482 CB ASP A 29 -2.696 7.705 15.016 1.00 0.00 C ATOM 483 CG ASP A 29 -2.857 7.501 16.493 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.323 6.408 16.891 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.562 8.429 17.288 1.00 0.00 O ATOM 0 H ASP A 29 -0.631 9.122 14.967 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.041 6.350 15.066 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.806 8.765 14.789 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.498 7.183 14.494 1.00 0.00 H new ATOM 490 N LYS A 30 -1.320 7.771 12.126 1.00 0.00 N ATOM 491 CA LYS A 30 -1.420 7.509 10.692 1.00 0.00 C ATOM 492 C LYS A 30 -0.346 6.529 10.270 1.00 0.00 C ATOM 493 O LYS A 30 -0.621 5.583 9.560 1.00 0.00 O ATOM 494 CB LYS A 30 -1.287 8.796 9.870 1.00 0.00 C ATOM 495 CG LYS A 30 -2.458 9.768 9.932 1.00 0.00 C ATOM 496 CD LYS A 30 -3.748 9.185 9.399 1.00 0.00 C ATOM 497 CE LYS A 30 -4.835 10.255 9.301 1.00 0.00 C ATOM 498 NZ LYS A 30 -5.132 10.911 10.602 1.00 0.00 N ATOM 0 H LYS A 30 -1.096 8.738 12.360 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.406 7.085 10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.391 9.321 10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.128 8.520 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.608 10.080 10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.209 10.663 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.574 8.747 8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.084 8.379 10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.525 11.013 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.748 9.802 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.076 11.345 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.107 10.202 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.421 11.646 10.791 1.00 0.00 H new ATOM 512 N VAL A 31 0.876 6.757 10.747 1.00 0.00 N ATOM 513 CA VAL A 31 2.019 5.883 10.456 1.00 0.00 C ATOM 514 C VAL A 31 1.714 4.446 10.914 1.00 0.00 C ATOM 515 O VAL A 31 1.973 3.475 10.188 1.00 0.00 O ATOM 516 CB VAL A 31 3.314 6.386 11.165 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.527 5.554 10.783 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.557 7.858 10.880 1.00 0.00 C ATOM 0 H VAL A 31 1.105 7.550 11.345 1.00 0.00 H new ATOM 0 HA VAL A 31 2.185 5.901 9.379 1.00 0.00 H new ATOM 0 HB VAL A 31 3.161 6.267 12.238 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.408 5.937 11.298 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.361 4.516 11.071 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.683 5.612 9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.466 8.181 11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.668 8.007 9.806 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.712 8.443 11.242 1.00 0.00 H new ATOM 528 N LEU A 32 1.146 4.332 12.105 1.00 0.00 N ATOM 529 CA LEU A 32 0.747 3.047 12.677 1.00 0.00 C ATOM 530 C LEU A 32 -0.287 2.373 11.801 1.00 0.00 C ATOM 531 O LEU A 32 -0.093 1.251 11.355 1.00 0.00 O ATOM 532 CB LEU A 32 0.165 3.260 14.068 1.00 0.00 C ATOM 533 CG LEU A 32 1.062 3.975 15.073 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.359 4.097 16.401 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.397 3.264 15.227 1.00 0.00 C ATOM 0 H LEU A 32 0.946 5.130 12.708 1.00 0.00 H new ATOM 0 HA LEU A 32 1.629 2.409 12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.759 3.829 13.969 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.103 2.287 14.480 1.00 0.00 H new ATOM 0 HG LEU A 32 1.268 4.976 14.695 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.009 4.609 17.111 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.561 4.667 16.275 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.121 3.103 16.779 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.013 3.799 15.950 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.229 2.245 15.577 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.908 3.237 14.265 1.00 0.00 H new ATOM 547 N LEU A 33 -1.349 3.089 11.508 1.00 0.00 N ATOM 548 CA LEU A 33 -2.444 2.562 10.709 1.00 0.00 C ATOM 549 C LEU A 33 -1.986 2.196 9.303 1.00 0.00 C ATOM 550 O LEU A 33 -2.392 1.161 8.757 1.00 0.00 O ATOM 551 CB LEU A 33 -3.587 3.568 10.663 1.00 0.00 C ATOM 552 CG LEU A 33 -4.250 3.884 12.002 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.256 4.997 11.842 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.919 2.645 12.585 1.00 0.00 C ATOM 0 H LEU A 33 -1.483 4.053 11.814 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.799 1.646 11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.210 4.498 10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.350 3.192 9.981 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.474 4.210 12.695 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.719 5.210 12.805 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.753 5.892 11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.023 4.694 11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.384 2.897 13.538 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.681 2.284 11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.172 1.867 12.740 1.00 0.00 H new ATOM 566 N PHE A 34 -1.131 3.022 8.736 1.00 0.00 N ATOM 567 CA PHE A 34 -0.599 2.781 7.421 1.00 0.00 C ATOM 568 C PHE A 34 0.256 1.521 7.400 1.00 0.00 C ATOM 569 O PHE A 34 0.035 0.645 6.585 1.00 0.00 O ATOM 570 CB PHE A 34 0.196 3.997 6.918 1.00 0.00 C ATOM 571 CG PHE A 34 0.844 3.787 5.581 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.084 3.726 4.429 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.214 3.643 5.480 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.681 3.521 3.209 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.816 3.442 4.261 1.00 0.00 C ATOM 576 CZ PHE A 34 2.052 3.379 3.126 1.00 0.00 C ATOM 0 H PHE A 34 -0.789 3.876 9.177 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.438 2.626 6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.472 4.856 6.856 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.966 4.244 7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.988 3.840 4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.821 3.689 6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.078 3.471 2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.889 3.334 4.198 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.522 3.218 2.167 1.00 0.00 H new ATOM 586 N SER A 35 1.183 1.413 8.330 1.00 0.00 N ATOM 587 CA SER A 35 2.093 0.284 8.362 1.00 0.00 C ATOM 588 C SER A 35 1.366 -1.050 8.625 1.00 0.00 C ATOM 589 O SER A 35 1.743 -2.088 8.068 1.00 0.00 O ATOM 590 CB SER A 35 3.231 0.537 9.358 1.00 0.00 C ATOM 591 OG SER A 35 2.729 0.884 10.636 1.00 0.00 O ATOM 0 H SER A 35 1.327 2.094 9.075 1.00 0.00 H new ATOM 0 HA SER A 35 2.536 0.187 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.851 -0.356 9.439 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.871 1.338 8.987 1.00 0.00 H new ATOM 0 HG SER A 35 2.549 1.847 10.666 1.00 0.00 H new ATOM 597 N ARG A 36 0.312 -1.015 9.443 1.00 0.00 N ATOM 598 CA ARG A 36 -0.475 -2.216 9.734 1.00 0.00 C ATOM 599 C ARG A 36 -1.226 -2.677 8.497 1.00 0.00 C ATOM 600 O ARG A 36 -1.247 -3.877 8.167 1.00 0.00 O ATOM 601 CB ARG A 36 -1.481 -1.956 10.854 1.00 0.00 C ATOM 602 CG ARG A 36 -0.858 -1.573 12.165 1.00 0.00 C ATOM 603 CD ARG A 36 -1.909 -1.313 13.226 1.00 0.00 C ATOM 604 NE ARG A 36 -2.701 -2.530 13.540 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.773 -2.577 14.361 1.00 0.00 C ATOM 606 NH1 ARG A 36 -4.199 -1.478 14.985 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.411 -3.730 14.550 1.00 0.00 N ATOM 0 H ARG A 36 -0.016 -0.172 9.914 1.00 0.00 H new ATOM 0 HA ARG A 36 0.221 -2.992 10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.159 -1.162 10.541 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.085 -2.852 11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.192 -2.369 12.499 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.246 -0.681 12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.425 -0.952 14.134 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.579 -0.523 12.886 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.411 -3.403 13.099 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.715 -0.591 14.844 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.009 -1.524 15.603 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.090 -4.574 14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.221 -3.769 15.169 1.00 0.00 H new ATOM 621 N ASP A 37 -1.823 -1.728 7.806 1.00 0.00 N ATOM 622 CA ASP A 37 -2.637 -2.024 6.638 1.00 0.00 C ATOM 623 C ASP A 37 -1.749 -2.427 5.467 1.00 0.00 C ATOM 624 O ASP A 37 -2.048 -3.371 4.737 1.00 0.00 O ATOM 625 CB ASP A 37 -3.489 -0.816 6.272 1.00 0.00 C ATOM 626 CG ASP A 37 -4.611 -1.169 5.322 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.414 -1.202 4.103 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.732 -1.464 5.797 1.00 0.00 O ATOM 0 H ASP A 37 -1.761 -0.736 8.033 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.300 -2.857 6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.908 -0.382 7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.857 -0.054 5.816 1.00 0.00 H new ATOM 633 N LEU A 38 -0.641 -1.725 5.328 1.00 0.00 N ATOM 634 CA LEU A 38 0.356 -1.995 4.298 1.00 0.00 C ATOM 635 C LEU A 38 0.924 -3.393 4.447 1.00 0.00 C ATOM 636 O LEU A 38 1.027 -4.138 3.474 1.00 0.00 O ATOM 637 CB LEU A 38 1.477 -0.932 4.380 1.00 0.00 C ATOM 638 CG LEU A 38 2.744 -1.147 3.539 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.419 -1.319 2.080 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.685 0.024 3.719 1.00 0.00 C ATOM 0 H LEU A 38 -0.400 -0.940 5.933 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.119 -1.938 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.047 0.028 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.780 -0.848 5.424 1.00 0.00 H new ATOM 0 HG LEU A 38 3.224 -2.062 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.340 -1.469 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.770 -2.186 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.910 -0.428 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.582 -0.134 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.191 0.941 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.961 0.111 4.770 1.00 0.00 H new ATOM 652 N ASP A 39 1.241 -3.762 5.666 1.00 0.00 N ATOM 653 CA ASP A 39 1.841 -5.056 5.928 1.00 0.00 C ATOM 654 C ASP A 39 0.871 -6.193 5.614 1.00 0.00 C ATOM 655 O ASP A 39 1.278 -7.225 5.086 1.00 0.00 O ATOM 656 CB ASP A 39 2.336 -5.143 7.368 1.00 0.00 C ATOM 657 CG ASP A 39 3.147 -6.387 7.634 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.331 -6.441 7.209 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.630 -7.319 8.273 1.00 0.00 O ATOM 0 H ASP A 39 1.095 -3.186 6.495 1.00 0.00 H new ATOM 0 HA ASP A 39 2.700 -5.164 5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.942 -4.265 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.481 -5.121 8.043 1.00 0.00 H new ATOM 664 N LYS A 40 -0.430 -5.976 5.862 1.00 0.00 N ATOM 665 CA LYS A 40 -1.421 -7.024 5.609 1.00 0.00 C ATOM 666 C LYS A 40 -1.578 -7.245 4.106 1.00 0.00 C ATOM 667 O LYS A 40 -1.786 -8.371 3.644 1.00 0.00 O ATOM 668 CB LYS A 40 -2.792 -6.710 6.251 1.00 0.00 C ATOM 669 CG LYS A 40 -3.752 -5.845 5.422 1.00 0.00 C ATOM 670 CD LYS A 40 -5.054 -5.575 6.162 1.00 0.00 C ATOM 671 CE LYS A 40 -6.153 -5.076 5.220 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.805 -3.834 4.507 1.00 0.00 N ATOM 0 H LYS A 40 -0.811 -5.104 6.229 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.052 -7.937 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.289 -7.654 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.617 -6.209 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.270 -4.898 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.968 -6.345 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.387 -6.488 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.881 -4.834 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.373 -5.854 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.064 -4.911 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.156 -3.885 3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.241 -3.023 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.772 -3.717 4.498 1.00 0.00 H new ATOM 686 N LEU A 41 -1.437 -6.160 3.351 1.00 0.00 N ATOM 687 CA LEU A 41 -1.526 -6.197 1.909 1.00 0.00 C ATOM 688 C LEU A 41 -0.374 -7.001 1.372 1.00 0.00 C ATOM 689 O LEU A 41 -0.520 -7.798 0.444 1.00 0.00 O ATOM 690 CB LEU A 41 -1.478 -4.774 1.350 1.00 0.00 C ATOM 691 CG LEU A 41 -1.525 -4.627 -0.173 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.799 -5.225 -0.740 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.400 -3.168 -0.558 1.00 0.00 C ATOM 0 H LEU A 41 -1.257 -5.231 3.731 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.466 -6.658 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.314 -4.216 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.565 -4.299 1.709 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.684 -5.175 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.806 -5.107 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.846 -6.285 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.662 -4.714 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.434 -3.074 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.223 -2.604 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.453 -2.774 -0.190 1.00 0.00 H new ATOM 705 N ILE A 42 0.746 -6.841 2.009 1.00 0.00 N ATOM 706 CA ILE A 42 1.928 -7.524 1.599 1.00 0.00 C ATOM 707 C ILE A 42 1.835 -8.985 1.963 1.00 0.00 C ATOM 708 O ILE A 42 2.084 -9.828 1.131 1.00 0.00 O ATOM 709 CB ILE A 42 3.215 -6.855 2.141 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.310 -5.449 1.550 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.459 -7.672 1.785 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.513 -4.672 1.977 1.00 0.00 C ATOM 0 H ILE A 42 0.863 -6.237 2.822 1.00 0.00 H new ATOM 0 HA ILE A 42 2.002 -7.453 0.514 1.00 0.00 H new ATOM 0 HB ILE A 42 3.166 -6.804 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.311 -5.526 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.416 -4.891 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.346 -7.176 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.377 -8.668 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.542 -7.755 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.496 -3.688 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.507 -4.558 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.415 -5.203 1.673 1.00 0.00 H new ATOM 724 N ASN A 43 1.380 -9.279 3.176 1.00 0.00 N ATOM 725 CA ASN A 43 1.202 -10.674 3.636 1.00 0.00 C ATOM 726 C ASN A 43 0.273 -11.430 2.711 1.00 0.00 C ATOM 727 O ASN A 43 0.494 -12.610 2.417 1.00 0.00 O ATOM 728 CB ASN A 43 0.661 -10.745 5.076 1.00 0.00 C ATOM 729 CG ASN A 43 1.621 -10.184 6.095 1.00 0.00 C ATOM 730 OD1 ASN A 43 2.837 -10.236 5.908 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.101 -9.670 7.180 1.00 0.00 N ATOM 0 H ASN A 43 1.124 -8.576 3.869 1.00 0.00 H new ATOM 0 HA ASN A 43 2.188 -11.138 3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.280 -10.198 5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.441 -11.783 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.708 -9.294 7.908 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.088 -9.645 7.298 1.00 0.00 H new ATOM 738 N LYS A 44 -0.737 -10.721 2.225 1.00 0.00 N ATOM 739 CA LYS A 44 -1.721 -11.250 1.295 1.00 0.00 C ATOM 740 C LYS A 44 -1.062 -11.661 -0.020 1.00 0.00 C ATOM 741 O LYS A 44 -1.275 -12.770 -0.520 1.00 0.00 O ATOM 742 CB LYS A 44 -2.786 -10.181 1.029 1.00 0.00 C ATOM 743 CG LYS A 44 -3.886 -10.595 0.061 1.00 0.00 C ATOM 744 CD LYS A 44 -4.841 -9.439 -0.237 1.00 0.00 C ATOM 745 CE LYS A 44 -5.524 -8.923 1.022 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.513 -7.866 0.727 1.00 0.00 N ATOM 0 H LYS A 44 -0.897 -9.744 2.472 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.182 -12.134 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.244 -9.902 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.295 -9.290 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.439 -10.947 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.446 -11.430 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.290 -8.626 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.597 -9.768 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.020 -9.751 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.772 -8.533 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.953 -7.545 1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.037 -7.064 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.246 -8.244 0.094 1.00 0.00 H new ATOM 760 N PHE A 45 -0.250 -10.777 -0.558 1.00 0.00 N ATOM 761 CA PHE A 45 0.412 -11.016 -1.824 1.00 0.00 C ATOM 762 C PHE A 45 1.634 -11.924 -1.694 1.00 0.00 C ATOM 763 O PHE A 45 1.990 -12.639 -2.631 1.00 0.00 O ATOM 764 CB PHE A 45 0.722 -9.709 -2.545 1.00 0.00 C ATOM 765 CG PHE A 45 -0.493 -9.095 -3.203 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.486 -8.465 -2.459 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.647 -9.168 -4.574 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.594 -7.923 -3.080 1.00 0.00 C ATOM 769 CE2 PHE A 45 -1.755 -8.629 -5.194 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.728 -8.005 -4.447 1.00 0.00 C ATOM 0 H PHE A 45 -0.030 -9.876 -0.133 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.291 -11.567 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.141 -8.998 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.486 -9.890 -3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.389 -8.399 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.112 -9.654 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.356 -7.434 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.859 -8.697 -6.267 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.594 -7.581 -4.932 1.00 0.00 H new ATOM 780 N MET A 46 2.268 -11.906 -0.525 1.00 0.00 N ATOM 781 CA MET A 46 3.371 -12.834 -0.228 1.00 0.00 C ATOM 782 C MET A 46 2.772 -14.222 -0.138 1.00 0.00 C ATOM 783 O MET A 46 3.425 -15.224 -0.423 1.00 0.00 O ATOM 784 CB MET A 46 4.027 -12.543 1.147 1.00 0.00 C ATOM 785 CG MET A 46 4.715 -11.191 1.377 1.00 0.00 C ATOM 786 SD MET A 46 6.366 -11.010 0.665 1.00 0.00 S ATOM 787 CE MET A 46 6.025 -10.854 -1.069 1.00 0.00 C ATOM 0 H MET A 46 2.043 -11.263 0.234 1.00 0.00 H new ATOM 0 HA MET A 46 4.127 -12.731 -1.007 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.255 -12.652 1.909 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.767 -13.323 1.329 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.077 -10.407 0.969 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.783 -11.019 2.451 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.885 -10.409 -1.570 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.828 -11.839 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.152 -10.217 -1.212 1.00 0.00 H new ATOM 797 N ASN A 47 1.507 -14.237 0.293 1.00 0.00 N ATOM 798 CA ASN A 47 0.700 -15.429 0.522 1.00 0.00 C ATOM 799 C ASN A 47 1.339 -16.246 1.626 1.00 0.00 C ATOM 800 O ASN A 47 1.259 -17.471 1.665 1.00 0.00 O ATOM 801 CB ASN A 47 0.496 -16.261 -0.767 1.00 0.00 C ATOM 802 CG ASN A 47 -0.600 -17.320 -0.605 1.00 0.00 C ATOM 803 OD1 ASN A 47 -1.557 -17.133 0.153 1.00 0.00 O ATOM 804 ND2 ASN A 47 -0.480 -18.420 -1.304 1.00 0.00 N ATOM 0 H ASN A 47 0.999 -13.377 0.500 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.299 -15.122 0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.237 -15.595 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.433 -16.749 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.188 -19.151 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.321 -18.547 -1.922 1.00 0.00 H new ATOM 811 N VAL A 48 1.943 -15.542 2.563 1.00 0.00 N ATOM 812 CA VAL A 48 2.603 -16.182 3.663 1.00 0.00 C ATOM 813 C VAL A 48 1.616 -16.663 4.674 1.00 0.00 C ATOM 814 O VAL A 48 1.011 -15.889 5.422 1.00 0.00 O ATOM 815 CB VAL A 48 3.730 -15.345 4.329 1.00 0.00 C ATOM 816 CG1 VAL A 48 4.918 -15.226 3.402 1.00 0.00 C ATOM 817 CG2 VAL A 48 3.231 -13.969 4.744 1.00 0.00 C ATOM 0 H VAL A 48 1.985 -14.523 2.576 1.00 0.00 H new ATOM 0 HA VAL A 48 3.115 -17.039 3.225 1.00 0.00 H new ATOM 0 HB VAL A 48 4.044 -15.867 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.698 -14.637 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.303 -16.220 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.611 -14.735 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.045 -13.411 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.875 -13.431 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.415 -14.078 5.458 1.00 0.00 H new ATOM 827 N LYS A 49 1.411 -17.912 4.630 1.00 0.00 N ATOM 828 CA LYS A 49 0.569 -18.585 5.539 1.00 0.00 C ATOM 829 C LYS A 49 1.480 -19.286 6.484 1.00 0.00 C ATOM 830 O LYS A 49 2.080 -20.306 6.139 1.00 0.00 O ATOM 831 CB LYS A 49 -0.342 -19.562 4.797 1.00 0.00 C ATOM 832 CG LYS A 49 -1.252 -18.877 3.787 1.00 0.00 C ATOM 833 CD LYS A 49 -2.125 -19.876 3.055 1.00 0.00 C ATOM 834 CE LYS A 49 -3.100 -19.176 2.121 1.00 0.00 C ATOM 835 NZ LYS A 49 -3.930 -20.137 1.370 1.00 0.00 N ATOM 0 H LYS A 49 1.838 -18.524 3.935 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.092 -17.902 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.271 -20.302 4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.953 -20.102 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.882 -18.149 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.647 -18.325 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.498 -20.560 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.677 -20.477 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.745 -18.514 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.546 -18.550 1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.581 -19.620 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.317 -20.752 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.478 -20.717 2.037 1.00 0.00 H new ATOM 849 N ASP A 50 1.673 -18.689 7.626 1.00 0.00 N ATOM 850 CA ASP A 50 2.634 -19.191 8.589 1.00 0.00 C ATOM 851 C ASP A 50 2.204 -20.506 9.216 1.00 0.00 C ATOM 852 O ASP A 50 1.062 -20.969 9.049 1.00 0.00 O ATOM 853 CB ASP A 50 2.948 -18.168 9.694 1.00 0.00 C ATOM 854 CG ASP A 50 1.807 -17.948 10.669 1.00 0.00 C ATOM 855 OD1 ASP A 50 1.594 -18.794 11.546 1.00 0.00 O ATOM 856 OD2 ASP A 50 1.133 -16.900 10.595 1.00 0.00 O ATOM 0 H ASP A 50 1.178 -17.848 7.922 1.00 0.00 H new ATOM 0 HA ASP A 50 3.544 -19.370 8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.826 -18.503 10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.206 -17.216 9.231 1.00 0.00 H new ATOM 861 N LYS A 51 3.129 -21.104 9.906 1.00 0.00 N ATOM 862 CA LYS A 51 2.903 -22.330 10.628 1.00 0.00 C ATOM 863 C LYS A 51 3.248 -22.128 12.098 1.00 0.00 C ATOM 864 O LYS A 51 3.529 -23.090 12.830 1.00 0.00 O ATOM 865 CB LYS A 51 3.741 -23.459 10.007 1.00 0.00 C ATOM 866 CG LYS A 51 5.218 -23.130 9.856 1.00 0.00 C ATOM 867 CD LYS A 51 5.965 -24.250 9.172 1.00 0.00 C ATOM 868 CE LYS A 51 7.416 -23.880 8.923 1.00 0.00 C ATOM 869 NZ LYS A 51 8.161 -24.970 8.252 1.00 0.00 N ATOM 0 H LYS A 51 4.082 -20.750 9.987 1.00 0.00 H new ATOM 0 HA LYS A 51 1.852 -22.612 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.641 -24.352 10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.332 -23.702 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.331 -22.211 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.654 -22.947 10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.918 -25.149 9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.481 -24.486 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.460 -22.980 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.897 -23.643 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.947 -24.567 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.537 -25.625 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.522 -25.485 7.613 1.00 0.00 H new ATOM 883 N VAL A 52 3.204 -20.880 12.538 1.00 0.00 N ATOM 884 CA VAL A 52 3.513 -20.554 13.913 1.00 0.00 C ATOM 885 C VAL A 52 2.219 -20.359 14.690 1.00 0.00 C ATOM 886 O VAL A 52 2.178 -20.499 15.911 1.00 0.00 O ATOM 887 CB VAL A 52 4.464 -19.319 14.058 1.00 0.00 C ATOM 888 CG1 VAL A 52 5.769 -19.553 13.312 1.00 0.00 C ATOM 889 CG2 VAL A 52 3.812 -18.019 13.604 1.00 0.00 C ATOM 0 H VAL A 52 2.956 -20.078 11.958 1.00 0.00 H new ATOM 0 HA VAL A 52 4.067 -21.393 14.334 1.00 0.00 H new ATOM 0 HB VAL A 52 4.678 -19.211 15.121 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.415 -18.682 13.426 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.269 -20.431 13.720 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.560 -19.713 12.254 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.517 -17.196 13.727 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.529 -18.101 12.555 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.923 -17.828 14.206 1.00 0.00 H new ATOM 899 N HIS A 53 1.171 -20.016 13.973 1.00 0.00 N ATOM 900 CA HIS A 53 -0.155 -19.953 14.536 1.00 0.00 C ATOM 901 C HIS A 53 -0.760 -21.333 14.502 1.00 0.00 C ATOM 902 O HIS A 53 -0.298 -22.212 13.748 1.00 0.00 O ATOM 903 CB HIS A 53 -1.050 -18.958 13.785 1.00 0.00 C ATOM 904 CG HIS A 53 -0.707 -17.523 14.029 1.00 0.00 C ATOM 905 ND1 HIS A 53 0.003 -16.732 13.156 1.00 0.00 N ATOM 906 CD2 HIS A 53 -1.018 -16.733 15.078 1.00 0.00 C ATOM 907 CE1 HIS A 53 0.099 -15.515 13.682 1.00 0.00 C ATOM 908 NE2 HIS A 53 -0.508 -15.457 14.865 1.00 0.00 N ATOM 0 H HIS A 53 1.217 -19.773 12.983 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.081 -19.599 15.564 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.982 -19.160 12.716 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.087 -19.127 14.076 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.389 -17.028 12.260 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.577 -17.044 15.948 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.603 -14.683 13.212 1.00 0.00 H new ATOM 916 N LYS A 54 -1.757 -21.550 15.297 1.00 0.00 N ATOM 917 CA LYS A 54 -2.359 -22.839 15.394 1.00 0.00 C ATOM 918 C LYS A 54 -3.487 -22.984 14.415 1.00 0.00 C ATOM 919 O LYS A 54 -4.511 -22.304 14.506 1.00 0.00 O ATOM 920 CB LYS A 54 -2.809 -23.124 16.818 1.00 0.00 C ATOM 921 CG LYS A 54 -3.362 -24.523 17.038 1.00 0.00 C ATOM 922 CD LYS A 54 -3.591 -24.801 18.515 1.00 0.00 C ATOM 923 CE LYS A 54 -2.273 -24.816 19.285 1.00 0.00 C ATOM 924 NZ LYS A 54 -2.474 -25.041 20.718 1.00 0.00 N ATOM 0 H LYS A 54 -2.176 -20.839 15.897 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.607 -23.584 15.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.964 -22.972 17.490 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.573 -22.398 17.096 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.301 -24.635 16.495 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.668 -25.259 16.631 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.251 -24.040 18.933 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.095 -25.760 18.633 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.628 -25.597 18.883 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.756 -23.868 19.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.553 -25.044 21.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.068 -24.282 21.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.944 -25.958 20.863 1.00 0.00 H new ATOM 938 N LEU A 55 -3.272 -23.838 13.463 1.00 0.00 N ATOM 939 CA LEU A 55 -4.253 -24.144 12.467 1.00 0.00 C ATOM 940 C LEU A 55 -5.023 -25.368 12.923 1.00 0.00 C ATOM 941 O LEU A 55 -4.801 -25.868 14.045 1.00 0.00 O ATOM 942 CB LEU A 55 -3.562 -24.410 11.120 1.00 0.00 C ATOM 943 CG LEU A 55 -2.718 -23.256 10.555 1.00 0.00 C ATOM 944 CD1 LEU A 55 -2.070 -23.660 9.239 1.00 0.00 C ATOM 945 CD2 LEU A 55 -3.568 -22.005 10.366 1.00 0.00 C ATOM 0 H LEU A 55 -2.397 -24.350 13.354 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.938 -23.307 12.335 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.919 -25.283 11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.326 -24.667 10.387 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.930 -23.030 11.274 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.477 -22.830 8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.424 -24.523 9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.844 -23.917 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.949 -21.202 9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.380 -22.219 9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.983 -21.699 11.326 1.00 0.00 H new ATOM 957 N GLU A 56 -5.911 -25.853 12.099 1.00 0.00 N ATOM 958 CA GLU A 56 -6.681 -27.023 12.434 1.00 0.00 C ATOM 959 C GLU A 56 -5.794 -28.263 12.378 1.00 0.00 C ATOM 960 O GLU A 56 -4.694 -28.237 11.792 1.00 0.00 O ATOM 961 CB GLU A 56 -7.859 -27.182 11.486 1.00 0.00 C ATOM 962 CG GLU A 56 -7.453 -27.382 10.045 1.00 0.00 C ATOM 963 CD GLU A 56 -8.620 -27.654 9.175 1.00 0.00 C ATOM 964 OE1 GLU A 56 -9.096 -28.778 9.165 1.00 0.00 O ATOM 965 OE2 GLU A 56 -9.082 -26.747 8.458 1.00 0.00 O ATOM 0 H GLU A 56 -6.121 -25.454 11.184 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.068 -26.904 13.446 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.460 -28.033 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.493 -26.298 11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.933 -26.493 9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.749 -28.212 9.978 1.00 0.00 H new ATOM 972 N HIS A 57 -6.255 -29.343 12.948 1.00 0.00 N ATOM 973 CA HIS A 57 -5.488 -30.571 12.937 1.00 0.00 C ATOM 974 C HIS A 57 -5.734 -31.340 11.664 1.00 0.00 C ATOM 975 O HIS A 57 -6.439 -32.349 11.640 1.00 0.00 O ATOM 976 CB HIS A 57 -5.754 -31.449 14.163 1.00 0.00 C ATOM 977 CG HIS A 57 -5.362 -30.811 15.465 1.00 0.00 C ATOM 978 ND1 HIS A 57 -6.262 -30.410 16.426 1.00 0.00 N ATOM 979 CD2 HIS A 57 -4.133 -30.513 15.957 1.00 0.00 C ATOM 980 CE1 HIS A 57 -5.582 -29.887 17.445 1.00 0.00 C ATOM 981 NE2 HIS A 57 -4.276 -29.927 17.215 1.00 0.00 N ATOM 0 H HIS A 57 -7.154 -29.404 13.426 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.437 -30.286 12.981 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.815 -31.698 14.196 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.210 -32.387 14.051 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.195 -30.699 15.455 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.034 -29.484 18.339 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.532 -29.598 17.830 1.00 0.00 H new ATOM 989 N HIS A 58 -5.235 -30.803 10.595 1.00 0.00 N ATOM 990 CA HIS A 58 -5.331 -31.445 9.310 1.00 0.00 C ATOM 991 C HIS A 58 -4.036 -32.189 9.058 1.00 0.00 C ATOM 992 O HIS A 58 -4.031 -33.317 8.535 1.00 0.00 O ATOM 993 CB HIS A 58 -5.588 -30.393 8.207 1.00 0.00 C ATOM 994 CG HIS A 58 -5.712 -30.940 6.802 1.00 0.00 C ATOM 995 ND1 HIS A 58 -6.894 -31.037 6.121 1.00 0.00 N ATOM 996 CD2 HIS A 58 -4.757 -31.378 5.943 1.00 0.00 C ATOM 997 CE1 HIS A 58 -6.639 -31.511 4.906 1.00 0.00 C ATOM 998 NE2 HIS A 58 -5.350 -31.737 4.746 1.00 0.00 N ATOM 0 H HIS A 58 -4.748 -29.907 10.582 1.00 0.00 H new ATOM 0 HA HIS A 58 -6.165 -32.147 9.296 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.503 -29.853 8.450 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.775 -29.667 8.225 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.701 -31.437 6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -7.389 -31.688 4.149 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.887 -32.101 3.913 1.00 0.00 H new ATOM 1006 N HIS A 59 -2.950 -31.547 9.467 1.00 0.00 N ATOM 1007 CA HIS A 59 -1.597 -32.042 9.316 1.00 0.00 C ATOM 1008 C HIS A 59 -1.214 -32.157 7.858 1.00 0.00 C ATOM 1009 O HIS A 59 -1.198 -33.240 7.274 1.00 0.00 O ATOM 1010 CB HIS A 59 -1.344 -33.343 10.108 1.00 0.00 C ATOM 1011 CG HIS A 59 -1.575 -33.179 11.579 1.00 0.00 C ATOM 1012 ND1 HIS A 59 -0.762 -32.441 12.395 1.00 0.00 N ATOM 1013 CD2 HIS A 59 -2.591 -33.626 12.364 1.00 0.00 C ATOM 1014 CE1 HIS A 59 -1.285 -32.450 13.621 1.00 0.00 C ATOM 1015 NE2 HIS A 59 -2.405 -33.160 13.660 1.00 0.00 N ATOM 0 H HIS A 59 -2.993 -30.638 9.928 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.933 -31.301 9.762 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.997 -34.128 9.727 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.319 -33.672 9.940 1.00 0.00 H new ATOM 0 HD1 HIS A 59 0.096 -31.966 12.114 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.412 -34.245 12.033 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.853 -31.945 14.472 1.00 0.00 H new ATOM 1023 N HIS A 60 -0.988 -31.011 7.258 1.00 0.00 N ATOM 1024 CA HIS A 60 -0.607 -30.920 5.862 1.00 0.00 C ATOM 1025 C HIS A 60 0.866 -30.587 5.774 1.00 0.00 C ATOM 1026 O HIS A 60 1.613 -31.219 5.040 1.00 0.00 O ATOM 1027 CB HIS A 60 -1.458 -29.844 5.126 1.00 0.00 C ATOM 1028 CG HIS A 60 -1.112 -29.649 3.663 1.00 0.00 C ATOM 1029 ND1 HIS A 60 -1.576 -30.449 2.648 1.00 0.00 N ATOM 1030 CD2 HIS A 60 -0.316 -28.724 3.067 1.00 0.00 C ATOM 1031 CE1 HIS A 60 -1.068 -30.012 1.500 1.00 0.00 C ATOM 1032 NE2 HIS A 60 -0.287 -28.961 1.692 1.00 0.00 N ATOM 0 H HIS A 60 -1.063 -30.108 7.726 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.792 -31.877 5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.510 -30.119 5.202 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.339 -28.892 5.643 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.211 -27.931 3.576 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.267 -30.457 0.536 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.227 -28.436 0.985 1.00 0.00 H new ATOM 1040 N HIS A 61 1.275 -29.603 6.538 1.00 0.00 N ATOM 1041 CA HIS A 61 2.654 -29.171 6.536 1.00 0.00 C ATOM 1042 C HIS A 61 3.381 -29.917 7.642 1.00 0.00 C ATOM 1043 O HIS A 61 4.514 -30.395 7.474 1.00 0.00 O ATOM 1044 CB HIS A 61 2.713 -27.655 6.785 1.00 0.00 C ATOM 1045 CG HIS A 61 4.049 -27.026 6.525 1.00 0.00 C ATOM 1046 ND1 HIS A 61 4.292 -26.191 5.469 1.00 0.00 N ATOM 1047 CD2 HIS A 61 5.210 -27.102 7.216 1.00 0.00 C ATOM 1048 CE1 HIS A 61 5.555 -25.788 5.533 1.00 0.00 C ATOM 1049 NE2 HIS A 61 6.167 -26.315 6.582 1.00 0.00 N ATOM 0 H HIS A 61 0.669 -29.083 7.173 1.00 0.00 H new ATOM 0 HA HIS A 61 3.125 -29.382 5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.969 -27.168 6.154 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.430 -27.460 7.819 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.617 -25.923 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.368 -27.680 8.114 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.021 -25.120 4.824 1.00 0.00 H new ATOM 1057 N HIS A 62 2.707 -30.024 8.747 1.00 0.00 N ATOM 1058 CA HIS A 62 3.181 -30.701 9.908 1.00 0.00 C ATOM 1059 C HIS A 62 2.002 -31.439 10.506 1.00 0.00 C ATOM 1060 O HIS A 62 1.084 -30.766 11.049 1.00 0.00 O ATOM 1061 CB HIS A 62 3.775 -29.714 10.925 1.00 0.00 C ATOM 1062 CG HIS A 62 4.340 -30.381 12.144 1.00 0.00 C ATOM 1063 ND1 HIS A 62 3.668 -30.495 13.340 1.00 0.00 N ATOM 1064 CD2 HIS A 62 5.532 -30.991 12.327 1.00 0.00 C ATOM 1065 CE1 HIS A 62 4.447 -31.155 14.189 1.00 0.00 C ATOM 1066 NE2 HIS A 62 5.600 -31.483 13.626 1.00 0.00 N ATOM 1067 OXT HIS A 62 1.959 -32.678 10.410 1.00 0.00 O ATOM 0 H HIS A 62 1.776 -29.625 8.865 1.00 0.00 H new ATOM 0 HA HIS A 62 3.979 -31.394 9.642 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.560 -29.134 10.441 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.001 -29.010 11.231 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.309 -31.082 11.582 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.176 -31.393 15.207 1.00 0.00 H new ATOM 0 HE2 HIS A 62 6.375 -31.990 14.055 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 14.329 20.084 -0.286 1.00 0.00 N ATOM 1077 CA MET B 1 13.273 20.847 0.396 1.00 0.00 C ATOM 1078 C MET B 1 11.952 20.717 -0.365 1.00 0.00 C ATOM 1079 O MET B 1 10.872 20.684 0.238 1.00 0.00 O ATOM 1080 CB MET B 1 13.667 22.328 0.523 1.00 0.00 C ATOM 1081 CG MET B 1 12.675 23.173 1.317 1.00 0.00 C ATOM 1082 SD MET B 1 12.537 22.658 3.047 1.00 0.00 S ATOM 1083 CE MET B 1 11.280 23.801 3.637 1.00 0.00 C ATOM 0 H1 MET B 1 15.140 19.965 0.354 1.00 0.00 H new ATOM 0 H2 MET B 1 13.962 19.149 -0.557 1.00 0.00 H new ATOM 0 H3 MET B 1 14.633 20.597 -1.138 1.00 0.00 H new ATOM 0 HA MET B 1 13.146 20.437 1.398 1.00 0.00 H new ATOM 0 HB2 MET B 1 14.645 22.393 1.000 1.00 0.00 H new ATOM 0 HB3 MET B 1 13.770 22.752 -0.476 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.983 24.218 1.278 1.00 0.00 H new ATOM 0 HG3 MET B 1 11.694 23.112 0.846 1.00 0.00 H new ATOM 0 HE1 MET B 1 11.082 23.611 4.692 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.632 24.825 3.512 1.00 0.00 H new ATOM 0 HE3 MET B 1 10.363 23.661 3.065 1.00 0.00 H new ATOM 1095 N GLU B 2 12.046 20.651 -1.687 1.00 0.00 N ATOM 1096 CA GLU B 2 10.899 20.504 -2.563 1.00 0.00 C ATOM 1097 C GLU B 2 10.248 19.133 -2.262 1.00 0.00 C ATOM 1098 O GLU B 2 10.850 18.088 -2.508 1.00 0.00 O ATOM 1099 CB GLU B 2 11.418 20.574 -4.021 1.00 0.00 C ATOM 1100 CG GLU B 2 10.415 21.006 -5.079 1.00 0.00 C ATOM 1101 CD GLU B 2 9.263 20.081 -5.224 1.00 0.00 C ATOM 1102 OE1 GLU B 2 9.347 19.123 -6.000 1.00 0.00 O ATOM 1103 OE2 GLU B 2 8.226 20.298 -4.560 1.00 0.00 O ATOM 0 H GLU B 2 12.935 20.699 -2.184 1.00 0.00 H new ATOM 0 HA GLU B 2 10.154 21.285 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU B 2 12.262 21.263 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU B 2 11.800 19.590 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU B 2 10.042 21.999 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU B 2 10.926 21.089 -6.038 1.00 0.00 H new ATOM 1110 N MET B 3 9.036 19.140 -1.721 1.00 0.00 N ATOM 1111 CA MET B 3 8.396 17.894 -1.313 1.00 0.00 C ATOM 1112 C MET B 3 7.737 17.152 -2.459 1.00 0.00 C ATOM 1113 O MET B 3 7.212 16.055 -2.281 1.00 0.00 O ATOM 1114 CB MET B 3 7.471 18.034 -0.088 1.00 0.00 C ATOM 1115 CG MET B 3 8.223 18.367 1.204 1.00 0.00 C ATOM 1116 SD MET B 3 7.181 18.343 2.689 1.00 0.00 S ATOM 1117 CE MET B 3 6.001 19.639 2.327 1.00 0.00 C ATOM 0 H MET B 3 8.483 19.981 -1.556 1.00 0.00 H new ATOM 0 HA MET B 3 9.221 17.264 -0.980 1.00 0.00 H new ATOM 0 HB2 MET B 3 6.736 18.815 -0.284 1.00 0.00 H new ATOM 0 HB3 MET B 3 6.919 17.104 0.050 1.00 0.00 H new ATOM 0 HG2 MET B 3 9.038 17.654 1.332 1.00 0.00 H new ATOM 0 HG3 MET B 3 8.675 19.354 1.105 1.00 0.00 H new ATOM 0 HE1 MET B 3 5.414 19.856 3.219 1.00 0.00 H new ATOM 0 HE2 MET B 3 6.532 20.538 2.015 1.00 0.00 H new ATOM 0 HE3 MET B 3 5.337 19.313 1.526 1.00 0.00 H new ATOM 1127 N GLY B 4 7.794 17.723 -3.641 1.00 0.00 N ATOM 1128 CA GLY B 4 7.379 17.005 -4.817 1.00 0.00 C ATOM 1129 C GLY B 4 8.406 15.936 -5.096 1.00 0.00 C ATOM 1130 O GLY B 4 8.086 14.844 -5.566 1.00 0.00 O ATOM 0 H GLY B 4 8.121 18.674 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY B 4 6.396 16.559 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY B 4 7.293 17.682 -5.667 1.00 0.00 H new ATOM 1134 N GLN B 5 9.650 16.257 -4.772 1.00 0.00 N ATOM 1135 CA GLN B 5 10.749 15.311 -4.830 1.00 0.00 C ATOM 1136 C GLN B 5 10.584 14.263 -3.758 1.00 0.00 C ATOM 1137 O GLN B 5 10.893 13.103 -3.966 1.00 0.00 O ATOM 1138 CB GLN B 5 12.088 16.020 -4.687 1.00 0.00 C ATOM 1139 CG GLN B 5 12.474 16.822 -5.908 1.00 0.00 C ATOM 1140 CD GLN B 5 12.868 15.944 -7.093 1.00 0.00 C ATOM 1141 OE1 GLN B 5 12.407 14.805 -7.244 1.00 0.00 O ATOM 1142 NE2 GLN B 5 13.719 16.456 -7.933 1.00 0.00 N ATOM 0 H GLN B 5 9.925 17.188 -4.460 1.00 0.00 H new ATOM 0 HA GLN B 5 10.734 14.823 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN B 5 12.049 16.683 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN B 5 12.863 15.280 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN B 5 11.639 17.460 -6.197 1.00 0.00 H new ATOM 0 HG3 GLN B 5 13.306 17.480 -5.657 1.00 0.00 H new ATOM 0 HE21 GLN B 5 14.081 17.397 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN B 5 14.024 15.916 -8.743 1.00 0.00 H new ATOM 1151 N LEU B 6 10.078 14.687 -2.619 1.00 0.00 N ATOM 1152 CA LEU B 6 9.746 13.790 -1.525 1.00 0.00 C ATOM 1153 C LEU B 6 8.677 12.794 -2.007 1.00 0.00 C ATOM 1154 O LEU B 6 8.812 11.596 -1.809 1.00 0.00 O ATOM 1155 CB LEU B 6 9.301 14.639 -0.286 1.00 0.00 C ATOM 1156 CG LEU B 6 8.805 13.944 1.017 1.00 0.00 C ATOM 1157 CD1 LEU B 6 7.369 13.470 0.900 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.709 12.793 1.416 1.00 0.00 C ATOM 0 H LEU B 6 9.883 15.669 -2.422 1.00 0.00 H new ATOM 0 HA LEU B 6 10.608 13.202 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.145 15.272 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU B 6 8.502 15.301 -0.621 1.00 0.00 H new ATOM 0 HG LEU B 6 8.844 14.699 1.802 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.067 12.992 1.832 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.719 14.323 0.702 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.288 12.754 0.082 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.331 12.333 2.329 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.728 12.052 0.617 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.718 13.166 1.589 1.00 0.00 H new ATOM 1170 N LYS B 7 7.662 13.306 -2.696 1.00 0.00 N ATOM 1171 CA LYS B 7 6.595 12.479 -3.268 1.00 0.00 C ATOM 1172 C LYS B 7 7.168 11.559 -4.348 1.00 0.00 C ATOM 1173 O LYS B 7 6.772 10.406 -4.466 1.00 0.00 O ATOM 1174 CB LYS B 7 5.491 13.371 -3.849 1.00 0.00 C ATOM 1175 CG LYS B 7 4.096 13.109 -3.284 1.00 0.00 C ATOM 1176 CD LYS B 7 3.488 11.769 -3.733 1.00 0.00 C ATOM 1177 CE LYS B 7 3.073 11.781 -5.198 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.296 10.568 -5.558 1.00 0.00 N ATOM 0 H LYS B 7 7.552 14.304 -2.876 1.00 0.00 H new ATOM 0 HA LYS B 7 6.162 11.862 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.752 14.414 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.462 13.233 -4.930 1.00 0.00 H new ATOM 0 HG2 LYS B 7 4.145 13.129 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.433 13.919 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.213 10.972 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.620 11.542 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.475 12.670 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.961 11.845 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.176 10.526 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.805 9.721 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.362 10.606 -5.103 1.00 0.00 H new ATOM 1192 N ASN B 8 8.108 12.089 -5.112 1.00 0.00 N ATOM 1193 CA ASN B 8 8.826 11.345 -6.149 1.00 0.00 C ATOM 1194 C ASN B 8 9.600 10.184 -5.523 1.00 0.00 C ATOM 1195 O ASN B 8 9.593 9.057 -6.046 1.00 0.00 O ATOM 1196 CB ASN B 8 9.768 12.305 -6.917 1.00 0.00 C ATOM 1197 CG ASN B 8 10.667 11.639 -7.951 1.00 0.00 C ATOM 1198 OD1 ASN B 8 10.347 10.596 -8.517 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.790 12.250 -8.221 1.00 0.00 N ATOM 0 H ASN B 8 8.403 13.062 -5.033 1.00 0.00 H new ATOM 0 HA ASN B 8 8.114 10.924 -6.859 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.162 13.060 -7.418 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.396 12.827 -6.195 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.427 11.863 -8.917 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.030 13.114 -7.736 1.00 0.00 H new ATOM 1206 N LYS B 9 10.235 10.453 -4.387 1.00 0.00 N ATOM 1207 CA LYS B 9 10.950 9.435 -3.639 1.00 0.00 C ATOM 1208 C LYS B 9 9.986 8.422 -3.058 1.00 0.00 C ATOM 1209 O LYS B 9 10.296 7.240 -3.013 1.00 0.00 O ATOM 1210 CB LYS B 9 11.817 10.046 -2.538 1.00 0.00 C ATOM 1211 CG LYS B 9 12.968 10.894 -3.064 1.00 0.00 C ATOM 1212 CD LYS B 9 13.790 11.516 -1.940 1.00 0.00 C ATOM 1213 CE LYS B 9 14.438 10.465 -1.043 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.330 11.076 -0.040 1.00 0.00 N ATOM 0 H LYS B 9 10.266 11.380 -3.963 1.00 0.00 H new ATOM 0 HA LYS B 9 11.615 8.924 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.189 10.661 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.221 9.245 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.616 10.277 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.572 11.684 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.565 12.151 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.148 12.159 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.662 9.890 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.006 9.764 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.751 10.330 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 16.085 11.604 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.783 11.726 0.561 1.00 0.00 H new ATOM 1228 N ILE B 10 8.820 8.893 -2.616 1.00 0.00 N ATOM 1229 CA ILE B 10 7.760 8.015 -2.129 1.00 0.00 C ATOM 1230 C ILE B 10 7.348 7.063 -3.230 1.00 0.00 C ATOM 1231 O ILE B 10 7.346 5.853 -3.031 1.00 0.00 O ATOM 1232 CB ILE B 10 6.522 8.812 -1.609 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.893 9.569 -0.337 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.315 7.891 -1.367 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.780 10.401 0.238 1.00 0.00 C ATOM 0 H ILE B 10 8.586 9.885 -2.586 1.00 0.00 H new ATOM 0 HA ILE B 10 8.154 7.454 -1.282 1.00 0.00 H new ATOM 0 HB ILE B 10 6.229 9.528 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.220 8.852 0.416 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.743 10.218 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.473 8.482 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.040 7.399 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.575 7.138 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.130 10.904 1.139 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.466 11.145 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.936 9.758 0.486 1.00 0.00 H new ATOM 1247 N GLU B 11 7.056 7.617 -4.404 1.00 0.00 N ATOM 1248 CA GLU B 11 6.701 6.823 -5.570 1.00 0.00 C ATOM 1249 C GLU B 11 7.776 5.799 -5.847 1.00 0.00 C ATOM 1250 O GLU B 11 7.504 4.608 -5.902 1.00 0.00 O ATOM 1251 CB GLU B 11 6.511 7.709 -6.804 1.00 0.00 C ATOM 1252 CG GLU B 11 5.347 8.676 -6.712 1.00 0.00 C ATOM 1253 CD GLU B 11 4.029 7.976 -6.522 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.588 7.225 -7.427 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.409 8.155 -5.480 1.00 0.00 O ATOM 0 H GLU B 11 7.059 8.623 -4.570 1.00 0.00 H new ATOM 0 HA GLU B 11 5.759 6.317 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.426 8.277 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.368 7.070 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.513 9.362 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.307 9.279 -7.619 1.00 0.00 H new ATOM 1262 N ASN B 12 8.998 6.275 -5.939 1.00 0.00 N ATOM 1263 CA ASN B 12 10.150 5.437 -6.218 1.00 0.00 C ATOM 1264 C ASN B 12 10.340 4.336 -5.179 1.00 0.00 C ATOM 1265 O ASN B 12 10.558 3.188 -5.532 1.00 0.00 O ATOM 1266 CB ASN B 12 11.426 6.291 -6.337 1.00 0.00 C ATOM 1267 CG ASN B 12 12.692 5.451 -6.422 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.104 5.025 -7.502 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.342 5.264 -5.304 1.00 0.00 N ATOM 0 H ASN B 12 9.225 7.262 -5.822 1.00 0.00 H new ATOM 0 HA ASN B 12 9.959 4.945 -7.172 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.354 6.922 -7.223 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.494 6.956 -5.476 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.223 4.750 -5.306 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.969 5.632 -4.429 1.00 0.00 H new ATOM 1276 N LYS B 13 10.224 4.679 -3.907 1.00 0.00 N ATOM 1277 CA LYS B 13 10.479 3.721 -2.848 1.00 0.00 C ATOM 1278 C LYS B 13 9.390 2.669 -2.804 1.00 0.00 C ATOM 1279 O LYS B 13 9.666 1.481 -2.619 1.00 0.00 O ATOM 1280 CB LYS B 13 10.617 4.405 -1.485 1.00 0.00 C ATOM 1281 CG LYS B 13 11.417 3.585 -0.471 1.00 0.00 C ATOM 1282 CD LYS B 13 12.950 3.821 -0.567 1.00 0.00 C ATOM 1283 CE LYS B 13 13.501 3.741 -1.993 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.959 3.959 -2.077 1.00 0.00 N ATOM 0 H LYS B 13 9.956 5.609 -3.585 1.00 0.00 H new ATOM 0 HA LYS B 13 11.428 3.234 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.100 5.373 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.623 4.598 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.080 3.834 0.535 1.00 0.00 H new ATOM 0 HG3 LYS B 13 11.208 2.526 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.184 4.801 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS B 13 13.461 3.083 0.052 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.264 2.763 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS B 13 12.995 4.483 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.301 3.662 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.168 4.968 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.436 3.401 -1.341 1.00 0.00 H new ATOM 1298 N LYS B 14 8.170 3.121 -2.991 1.00 0.00 N ATOM 1299 CA LYS B 14 7.004 2.270 -3.086 1.00 0.00 C ATOM 1300 C LYS B 14 7.196 1.274 -4.232 1.00 0.00 C ATOM 1301 O LYS B 14 6.999 0.083 -4.071 1.00 0.00 O ATOM 1302 CB LYS B 14 5.777 3.177 -3.320 1.00 0.00 C ATOM 1303 CG LYS B 14 4.477 2.476 -3.697 1.00 0.00 C ATOM 1304 CD LYS B 14 3.381 3.486 -4.073 1.00 0.00 C ATOM 1305 CE LYS B 14 3.682 4.220 -5.366 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.665 5.258 -5.676 1.00 0.00 N ATOM 0 H LYS B 14 7.956 4.114 -3.083 1.00 0.00 H new ATOM 0 HA LYS B 14 6.854 1.695 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.602 3.756 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.023 3.888 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.655 1.802 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.137 1.863 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.429 2.964 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.268 4.210 -3.266 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.664 4.687 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.728 3.503 -6.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.965 5.800 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.751 4.801 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.566 5.900 -4.864 1.00 0.00 H new ATOM 1320 N LYS B 15 7.641 1.782 -5.361 1.00 0.00 N ATOM 1321 CA LYS B 15 7.893 0.976 -6.548 1.00 0.00 C ATOM 1322 C LYS B 15 9.052 0.013 -6.342 1.00 0.00 C ATOM 1323 O LYS B 15 8.968 -1.143 -6.753 1.00 0.00 O ATOM 1324 CB LYS B 15 8.108 1.856 -7.771 1.00 0.00 C ATOM 1325 CG LYS B 15 6.879 2.680 -8.138 1.00 0.00 C ATOM 1326 CD LYS B 15 7.141 3.616 -9.301 1.00 0.00 C ATOM 1327 CE LYS B 15 7.417 2.870 -10.605 1.00 0.00 C ATOM 1328 NZ LYS B 15 6.267 2.059 -11.056 1.00 0.00 N ATOM 0 H LYS B 15 7.841 2.774 -5.487 1.00 0.00 H new ATOM 0 HA LYS B 15 7.005 0.370 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS B 15 8.946 2.528 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.384 1.229 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.057 2.010 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.561 3.260 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.280 4.271 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS B 15 7.993 4.254 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS B 15 7.675 3.589 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.283 2.221 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.443 1.713 -12.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.141 1.250 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.407 2.643 -11.050 1.00 0.00 H new ATOM 1342 N GLU B 16 10.128 0.480 -5.690 1.00 0.00 N ATOM 1343 CA GLU B 16 11.251 -0.397 -5.344 1.00 0.00 C ATOM 1344 C GLU B 16 10.779 -1.547 -4.480 1.00 0.00 C ATOM 1345 O GLU B 16 11.262 -2.664 -4.606 1.00 0.00 O ATOM 1346 CB GLU B 16 12.392 0.335 -4.625 1.00 0.00 C ATOM 1347 CG GLU B 16 13.241 1.248 -5.496 1.00 0.00 C ATOM 1348 CD GLU B 16 14.464 1.736 -4.757 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.198 0.894 -4.193 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.729 2.957 -4.719 1.00 0.00 O ATOM 0 H GLU B 16 10.242 1.450 -5.395 1.00 0.00 H new ATOM 0 HA GLU B 16 11.645 -0.769 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.966 0.928 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.044 -0.408 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.547 0.714 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.645 2.101 -5.820 1.00 0.00 H new ATOM 1357 N LEU B 17 9.825 -1.266 -3.614 1.00 0.00 N ATOM 1358 CA LEU B 17 9.243 -2.286 -2.790 1.00 0.00 C ATOM 1359 C LEU B 17 8.434 -3.237 -3.641 1.00 0.00 C ATOM 1360 O LEU B 17 8.570 -4.439 -3.510 1.00 0.00 O ATOM 1361 CB LEU B 17 8.336 -1.697 -1.742 1.00 0.00 C ATOM 1362 CG LEU B 17 7.503 -2.719 -1.007 1.00 0.00 C ATOM 1363 CD1 LEU B 17 8.263 -3.475 0.019 1.00 0.00 C ATOM 1364 CD2 LEU B 17 6.220 -2.162 -0.528 1.00 0.00 C ATOM 0 H LEU B 17 9.441 -0.332 -3.469 1.00 0.00 H new ATOM 0 HA LEU B 17 10.060 -2.813 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.940 -1.148 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.672 -0.974 -2.216 1.00 0.00 H new ATOM 0 HG LEU B 17 7.230 -3.476 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.602 -4.191 0.507 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.087 -4.007 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.659 -2.783 0.762 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.659 -2.937 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.415 -1.334 0.154 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.639 -1.803 -1.378 1.00 0.00 H new ATOM 1376 N ILE B 18 7.587 -2.680 -4.499 1.00 0.00 N ATOM 1377 CA ILE B 18 6.735 -3.459 -5.399 1.00 0.00 C ATOM 1378 C ILE B 18 7.576 -4.438 -6.204 1.00 0.00 C ATOM 1379 O ILE B 18 7.232 -5.601 -6.309 1.00 0.00 O ATOM 1380 CB ILE B 18 5.921 -2.542 -6.357 1.00 0.00 C ATOM 1381 CG1 ILE B 18 4.987 -1.642 -5.552 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.118 -3.371 -7.371 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.325 -0.553 -6.358 1.00 0.00 C ATOM 0 H ILE B 18 7.469 -1.671 -4.593 1.00 0.00 H new ATOM 0 HA ILE B 18 6.026 -4.013 -4.784 1.00 0.00 H new ATOM 0 HB ILE B 18 6.624 -1.922 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.214 -2.259 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.553 -1.184 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.560 -2.703 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.800 -3.977 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.424 -4.022 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.679 0.039 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.088 0.091 -6.795 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.728 -1.000 -7.153 1.00 0.00 H new ATOM 1395 N GLN B 19 8.693 -3.957 -6.721 1.00 0.00 N ATOM 1396 CA GLN B 19 9.627 -4.779 -7.472 1.00 0.00 C ATOM 1397 C GLN B 19 10.194 -5.925 -6.600 1.00 0.00 C ATOM 1398 O GLN B 19 10.424 -7.035 -7.087 1.00 0.00 O ATOM 1399 CB GLN B 19 10.736 -3.903 -8.068 1.00 0.00 C ATOM 1400 CG GLN B 19 10.211 -2.912 -9.109 1.00 0.00 C ATOM 1401 CD GLN B 19 11.267 -1.959 -9.647 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.473 -0.863 -9.120 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.935 -2.355 -10.691 1.00 0.00 N ATOM 0 H GLN B 19 8.979 -2.982 -6.632 1.00 0.00 H new ATOM 0 HA GLN B 19 9.094 -5.252 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.230 -3.354 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.490 -4.542 -8.528 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.782 -3.469 -9.942 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.403 -2.330 -8.666 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.742 -3.267 -11.104 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.652 -1.753 -11.096 1.00 0.00 H new ATOM 1412 N LEU B 20 10.356 -5.666 -5.310 1.00 0.00 N ATOM 1413 CA LEU B 20 10.826 -6.678 -4.373 1.00 0.00 C ATOM 1414 C LEU B 20 9.712 -7.691 -4.082 1.00 0.00 C ATOM 1415 O LEU B 20 9.943 -8.900 -4.109 1.00 0.00 O ATOM 1416 CB LEU B 20 11.329 -6.048 -3.068 1.00 0.00 C ATOM 1417 CG LEU B 20 12.505 -5.079 -3.189 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.881 -4.532 -1.828 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.703 -5.747 -3.847 1.00 0.00 C ATOM 0 H LEU B 20 10.168 -4.758 -4.886 1.00 0.00 H new ATOM 0 HA LEU B 20 11.666 -7.196 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.498 -5.519 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.617 -6.851 -2.390 1.00 0.00 H new ATOM 0 HG LEU B 20 12.195 -4.250 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.720 -3.844 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.029 -4.004 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.165 -5.354 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.523 -5.033 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU B 20 14.017 -6.602 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.428 -6.085 -4.846 1.00 0.00 H new ATOM 1431 N VAL B 21 8.507 -7.188 -3.804 1.00 0.00 N ATOM 1432 CA VAL B 21 7.334 -8.025 -3.592 1.00 0.00 C ATOM 1433 C VAL B 21 7.073 -8.892 -4.859 1.00 0.00 C ATOM 1434 O VAL B 21 6.739 -10.072 -4.770 1.00 0.00 O ATOM 1435 CB VAL B 21 6.093 -7.121 -3.278 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.872 -7.927 -2.922 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.403 -6.177 -2.143 1.00 0.00 C ATOM 0 H VAL B 21 8.322 -6.188 -3.721 1.00 0.00 H new ATOM 0 HA VAL B 21 7.506 -8.689 -2.745 1.00 0.00 H new ATOM 0 HB VAL B 21 5.878 -6.560 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.040 -7.254 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.611 -8.579 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.080 -8.532 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.531 -5.556 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.658 -6.751 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.244 -5.541 -2.418 1.00 0.00 H new ATOM 1447 N ALA B 22 7.290 -8.297 -6.015 1.00 0.00 N ATOM 1448 CA ALA B 22 7.110 -8.937 -7.303 1.00 0.00 C ATOM 1449 C ALA B 22 8.111 -10.071 -7.518 1.00 0.00 C ATOM 1450 O ALA B 22 7.722 -11.204 -7.849 1.00 0.00 O ATOM 1451 CB ALA B 22 7.222 -7.911 -8.418 1.00 0.00 C ATOM 0 H ALA B 22 7.605 -7.329 -6.086 1.00 0.00 H new ATOM 0 HA ALA B 22 6.112 -9.375 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.085 -8.403 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.455 -7.148 -8.288 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.207 -7.445 -8.386 1.00 0.00 H new ATOM 1457 N ARG B 23 9.395 -9.791 -7.275 1.00 0.00 N ATOM 1458 CA ARG B 23 10.475 -10.779 -7.488 1.00 0.00 C ATOM 1459 C ARG B 23 10.416 -11.922 -6.467 1.00 0.00 C ATOM 1460 O ARG B 23 11.195 -12.880 -6.540 1.00 0.00 O ATOM 1461 CB ARG B 23 11.857 -10.114 -7.455 1.00 0.00 C ATOM 1462 CG ARG B 23 12.242 -9.567 -6.100 1.00 0.00 C ATOM 1463 CD ARG B 23 13.579 -8.851 -6.122 1.00 0.00 C ATOM 1464 NE ARG B 23 14.674 -9.734 -6.536 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.940 -9.665 -6.088 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.278 -8.791 -5.135 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.852 -10.491 -6.584 1.00 0.00 N ATOM 0 H ARG B 23 9.720 -8.888 -6.930 1.00 0.00 H new ATOM 0 HA ARG B 23 10.317 -11.204 -8.479 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.606 -10.841 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.876 -9.302 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.470 -8.878 -5.757 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.283 -10.384 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.523 -8.001 -6.802 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.792 -8.452 -5.130 1.00 0.00 H new ATOM 0 HE ARG B 23 14.458 -10.460 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.573 -8.168 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.241 -8.747 -4.802 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.590 -11.170 -7.298 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.815 -10.447 -6.251 1.00 0.00 H new ATOM 1481 N HIS B 24 9.529 -11.795 -5.503 1.00 0.00 N ATOM 1482 CA HIS B 24 9.288 -12.840 -4.536 1.00 0.00 C ATOM 1483 C HIS B 24 8.645 -14.055 -5.217 1.00 0.00 C ATOM 1484 O HIS B 24 8.949 -15.199 -4.881 1.00 0.00 O ATOM 1485 CB HIS B 24 8.395 -12.315 -3.385 1.00 0.00 C ATOM 1486 CG HIS B 24 7.869 -13.395 -2.451 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.584 -13.910 -2.514 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.481 -14.059 -1.438 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.466 -14.841 -1.571 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.588 -14.978 -0.885 1.00 0.00 N ATOM 0 H HIS B 24 8.955 -10.963 -5.369 1.00 0.00 H new ATOM 0 HA HIS B 24 10.242 -13.151 -4.110 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.965 -11.593 -2.800 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.548 -11.780 -3.814 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.498 -13.901 -1.111 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.568 -15.412 -1.389 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.764 -15.621 -0.113 1.00 0.00 H new ATOM 1498 N GLY B 25 7.795 -13.802 -6.189 1.00 0.00 N ATOM 1499 CA GLY B 25 7.101 -14.893 -6.838 1.00 0.00 C ATOM 1500 C GLY B 25 5.798 -14.467 -7.455 1.00 0.00 C ATOM 1501 O GLY B 25 5.123 -15.264 -8.108 1.00 0.00 O ATOM 0 H GLY B 25 7.571 -12.871 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.742 -15.318 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.913 -15.682 -6.110 1.00 0.00 H new ATOM 1505 N LEU B 26 5.422 -13.226 -7.217 1.00 0.00 N ATOM 1506 CA LEU B 26 4.255 -12.637 -7.796 1.00 0.00 C ATOM 1507 C LEU B 26 4.294 -12.630 -9.300 1.00 0.00 C ATOM 1508 O LEU B 26 5.336 -12.401 -9.911 1.00 0.00 O ATOM 1509 CB LEU B 26 4.126 -11.223 -7.303 1.00 0.00 C ATOM 1510 CG LEU B 26 3.395 -11.021 -5.994 1.00 0.00 C ATOM 1511 CD1 LEU B 26 4.045 -11.723 -4.838 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.158 -9.552 -5.727 1.00 0.00 C ATOM 0 H LEU B 26 5.937 -12.596 -6.602 1.00 0.00 H new ATOM 0 HA LEU B 26 3.399 -13.241 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.128 -10.806 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.616 -10.641 -8.070 1.00 0.00 H new ATOM 0 HG LEU B 26 2.420 -11.496 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.471 -11.537 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.077 -12.795 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU B 26 5.060 -11.348 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.631 -9.435 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.115 -9.032 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.557 -9.128 -6.532 1.00 0.00 H new ATOM 1524 N ASP B 27 3.163 -12.869 -9.882 1.00 0.00 N ATOM 1525 CA ASP B 27 3.029 -12.821 -11.326 1.00 0.00 C ATOM 1526 C ASP B 27 2.683 -11.408 -11.708 1.00 0.00 C ATOM 1527 O ASP B 27 2.443 -10.592 -10.817 1.00 0.00 O ATOM 1528 CB ASP B 27 1.950 -13.785 -11.832 1.00 0.00 C ATOM 1529 CG ASP B 27 2.237 -15.223 -11.489 1.00 0.00 C ATOM 1530 OD1 ASP B 27 3.110 -15.861 -12.133 1.00 0.00 O ATOM 1531 OD2 ASP B 27 1.581 -15.758 -10.569 1.00 0.00 O ATOM 0 H ASP B 27 2.303 -13.103 -9.385 1.00 0.00 H new ATOM 0 HA ASP B 27 3.968 -13.131 -11.785 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.988 -13.501 -11.406 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.861 -13.686 -12.914 1.00 0.00 H new ATOM 1536 N HIS B 28 2.603 -11.109 -13.001 1.00 0.00 N ATOM 1537 CA HIS B 28 2.339 -9.734 -13.462 1.00 0.00 C ATOM 1538 C HIS B 28 1.029 -9.206 -12.865 1.00 0.00 C ATOM 1539 O HIS B 28 0.957 -8.064 -12.429 1.00 0.00 O ATOM 1540 CB HIS B 28 2.317 -9.649 -15.004 1.00 0.00 C ATOM 1541 CG HIS B 28 2.283 -8.238 -15.532 1.00 0.00 C ATOM 1542 ND1 HIS B 28 1.239 -7.695 -16.255 1.00 0.00 N ATOM 1543 CD2 HIS B 28 3.216 -7.263 -15.437 1.00 0.00 C ATOM 1544 CE1 HIS B 28 1.563 -6.439 -16.567 1.00 0.00 C ATOM 1545 NE2 HIS B 28 2.761 -6.123 -16.092 1.00 0.00 N ATOM 0 H HIS B 28 2.715 -11.791 -13.751 1.00 0.00 H new ATOM 0 HA HIS B 28 3.155 -9.102 -13.111 1.00 0.00 H new ATOM 0 HB2 HIS B 28 3.198 -10.155 -15.400 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.446 -10.188 -15.376 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.166 -7.355 -14.932 1.00 0.00 H new ATOM 0 HE1 HIS B 28 0.933 -5.768 -17.132 1.00 0.00 H new ATOM 0 HE2 HIS B 28 3.247 -5.231 -16.187 1.00 0.00 H new ATOM 1553 N ASP B 29 0.035 -10.079 -12.801 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.276 -9.804 -12.204 1.00 0.00 C ATOM 1555 C ASP B 29 -1.121 -9.305 -10.795 1.00 0.00 C ATOM 1556 O ASP B 29 -1.680 -8.282 -10.409 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.092 -11.103 -12.191 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.361 -11.022 -11.375 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.412 -10.659 -11.939 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.327 -11.366 -10.164 1.00 0.00 O ATOM 0 H ASP B 29 0.114 -11.026 -13.171 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.783 -9.039 -12.792 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.348 -11.370 -13.216 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -1.470 -11.907 -11.798 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.307 -10.003 -10.062 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.062 -9.711 -8.689 1.00 0.00 C ATOM 1567 C LYS B 30 0.622 -8.372 -8.523 1.00 0.00 C ATOM 1568 O LYS B 30 0.297 -7.625 -7.625 1.00 0.00 O ATOM 1569 CB LYS B 30 0.752 -10.830 -8.074 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.006 -12.128 -7.911 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.000 -12.030 -6.770 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.085 -13.098 -6.846 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.818 -13.074 -8.145 1.00 0.00 N ATOM 0 H LYS B 30 0.214 -10.807 -10.412 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.016 -9.642 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.630 -11.010 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS B 30 1.113 -10.508 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.530 -12.367 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.694 -12.942 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.470 -12.122 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.464 -11.044 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.634 -14.080 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.793 -12.952 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.812 -13.337 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.773 -12.118 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.381 -13.751 -8.803 1.00 0.00 H new ATOM 1587 N VAL B 31 1.524 -8.058 -9.429 1.00 0.00 N ATOM 1588 CA VAL B 31 2.253 -6.802 -9.384 1.00 0.00 C ATOM 1589 C VAL B 31 1.283 -5.654 -9.674 1.00 0.00 C ATOM 1590 O VAL B 31 1.332 -4.593 -9.034 1.00 0.00 O ATOM 1591 CB VAL B 31 3.411 -6.786 -10.419 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.312 -5.574 -10.240 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.202 -8.074 -10.353 1.00 0.00 C ATOM 0 H VAL B 31 1.774 -8.660 -10.214 1.00 0.00 H new ATOM 0 HA VAL B 31 2.689 -6.685 -8.392 1.00 0.00 H new ATOM 0 HB VAL B 31 2.968 -6.708 -11.412 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.109 -5.600 -10.983 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.727 -4.663 -10.368 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.747 -5.588 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.009 -8.044 -11.085 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.623 -8.192 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.545 -8.916 -10.571 1.00 0.00 H new ATOM 1603 N LEU B 32 0.379 -5.896 -10.611 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.639 -4.933 -10.981 1.00 0.00 C ATOM 1605 C LEU B 32 -1.562 -4.656 -9.821 1.00 0.00 C ATOM 1606 O LEU B 32 -1.666 -3.526 -9.359 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.461 -5.421 -12.178 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.701 -5.651 -13.478 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.651 -6.106 -14.561 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.038 -4.396 -13.908 1.00 0.00 C ATOM 0 H LEU B 32 0.333 -6.769 -11.136 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.125 -4.013 -11.261 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.949 -6.355 -11.899 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.250 -4.694 -12.369 1.00 0.00 H new ATOM 0 HG LEU B 32 0.040 -6.432 -13.309 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.098 -6.268 -15.486 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.130 -7.037 -14.257 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.412 -5.342 -14.722 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.572 -4.589 -14.839 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.677 -3.587 -14.060 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.750 -4.110 -13.134 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.181 -5.691 -9.318 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.160 -5.555 -8.260 1.00 0.00 C ATOM 1624 C LEU B 33 -2.536 -4.989 -6.990 1.00 0.00 C ATOM 1625 O LEU B 33 -3.155 -4.166 -6.301 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.838 -6.890 -7.988 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.468 -7.573 -9.207 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.122 -8.865 -8.809 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.463 -6.664 -9.912 1.00 0.00 C ATOM 0 H LEU B 33 -2.025 -6.651 -9.625 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.917 -4.845 -8.593 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.104 -7.568 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.614 -6.737 -7.238 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.666 -7.789 -9.912 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.564 -9.335 -9.688 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.376 -9.532 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.901 -8.667 -8.073 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.887 -7.185 -10.770 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.261 -6.393 -9.221 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -4.955 -5.761 -10.251 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.306 -5.392 -6.711 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.596 -4.906 -5.554 1.00 0.00 C ATOM 1643 C PHE B 34 -0.314 -3.416 -5.681 1.00 0.00 C ATOM 1644 O PHE B 34 -0.659 -2.654 -4.793 1.00 0.00 O ATOM 1645 CB PHE B 34 0.709 -5.690 -5.339 1.00 0.00 C ATOM 1646 CG PHE B 34 1.507 -5.261 -4.142 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.108 -5.610 -2.865 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.660 -4.515 -4.297 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.841 -5.220 -1.767 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.397 -4.121 -3.204 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.989 -4.473 -1.938 1.00 0.00 C ATOM 0 H PHE B 34 -0.782 -6.059 -7.278 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.230 -5.061 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.469 -6.748 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.330 -5.587 -6.229 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.211 -6.195 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.987 -4.238 -5.288 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.519 -5.498 -0.774 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.295 -3.536 -3.340 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.566 -4.165 -1.079 1.00 0.00 H new ATOM 1661 N SER B 35 0.257 -3.002 -6.816 1.00 0.00 N ATOM 1662 CA SER B 35 0.633 -1.606 -7.021 1.00 0.00 C ATOM 1663 C SER B 35 -0.576 -0.668 -6.937 1.00 0.00 C ATOM 1664 O SER B 35 -0.483 0.418 -6.376 1.00 0.00 O ATOM 1665 CB SER B 35 1.407 -1.428 -8.344 1.00 0.00 C ATOM 1666 OG SER B 35 0.686 -1.941 -9.456 1.00 0.00 O ATOM 0 H SER B 35 0.467 -3.615 -7.604 1.00 0.00 H new ATOM 0 HA SER B 35 1.302 -1.325 -6.208 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.614 -0.370 -8.503 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.370 -1.934 -8.272 1.00 0.00 H new ATOM 0 HG SER B 35 0.790 -2.915 -9.492 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.702 -1.116 -7.468 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.956 -0.357 -7.450 1.00 0.00 C ATOM 1674 C ARG B 36 -3.472 -0.181 -6.031 1.00 0.00 C ATOM 1675 O ARG B 36 -3.753 0.936 -5.588 1.00 0.00 O ATOM 1676 CB ARG B 36 -4.011 -1.102 -8.242 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.679 -1.286 -9.692 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.632 -2.259 -10.358 1.00 0.00 C ATOM 1679 NE ARG B 36 -4.318 -2.440 -11.778 1.00 0.00 N ATOM 1680 CZ ARG B 36 -5.104 -3.063 -12.655 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.262 -3.575 -12.256 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -4.734 -3.167 -13.929 1.00 0.00 N ATOM 0 H ARG B 36 -1.779 -2.023 -7.929 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.758 0.622 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.164 -2.082 -7.789 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -4.955 -0.563 -8.163 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.724 -0.324 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -2.657 -1.651 -9.789 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.583 -3.222 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.654 -1.895 -10.255 1.00 0.00 H new ATOM 0 HE ARG B 36 -3.434 -2.062 -12.119 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.548 -3.491 -11.280 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -6.866 -4.053 -12.925 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -3.847 -2.769 -14.236 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -5.338 -3.645 -14.598 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.575 -1.290 -5.316 1.00 0.00 N ATOM 1697 CA ASP B 37 -4.167 -1.290 -3.984 1.00 0.00 C ATOM 1698 C ASP B 37 -3.250 -0.551 -3.017 1.00 0.00 C ATOM 1699 O ASP B 37 -3.706 0.183 -2.129 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.411 -2.728 -3.520 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.509 -2.836 -2.478 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.694 -2.860 -2.869 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.228 -2.915 -1.267 1.00 0.00 O ATOM 0 H ASP B 37 -3.256 -2.205 -5.635 1.00 0.00 H new ATOM 0 HA ASP B 37 -5.128 -0.775 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.673 -3.342 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.486 -3.133 -3.109 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.957 -0.720 -3.230 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.927 -0.035 -2.468 1.00 0.00 C ATOM 1710 C LEU B 38 -0.976 1.466 -2.728 1.00 0.00 C ATOM 1711 O LEU B 38 -0.913 2.267 -1.794 1.00 0.00 O ATOM 1712 CB LEU B 38 0.456 -0.614 -2.836 1.00 0.00 C ATOM 1713 CG LEU B 38 1.704 0.123 -2.334 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.679 0.294 -0.844 1.00 0.00 C ATOM 1715 CD2 LEU B 38 2.948 -0.632 -2.739 1.00 0.00 C ATOM 0 H LEU B 38 -1.588 -1.345 -3.946 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.103 -0.193 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.500 -1.637 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.516 -0.669 -3.923 1.00 0.00 H new ATOM 0 HG LEU B 38 1.712 1.113 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.578 0.820 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.800 0.871 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.641 -0.685 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.829 -0.101 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.924 -1.632 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU B 38 2.990 -0.708 -3.826 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.125 1.832 -3.988 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.167 3.235 -4.394 1.00 0.00 C ATOM 1729 C ASP B 39 -2.333 3.937 -3.723 1.00 0.00 C ATOM 1730 O ASP B 39 -2.159 4.981 -3.096 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.274 3.354 -5.920 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.140 4.778 -6.418 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.003 5.312 -6.435 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.153 5.393 -6.806 1.00 0.00 O ATOM 0 H ASP B 39 -1.220 1.172 -4.760 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.241 3.716 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.500 2.740 -6.381 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.234 2.952 -6.243 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.505 3.309 -3.798 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.720 3.825 -3.164 1.00 0.00 C ATOM 1741 C LYS B 40 -4.534 4.004 -1.661 1.00 0.00 C ATOM 1742 O LYS B 40 -4.948 5.016 -1.092 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.908 2.896 -3.402 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.399 2.818 -4.844 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.584 1.852 -4.981 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.776 2.286 -4.123 1.00 0.00 C ATOM 1747 NZ LYS B 40 -9.905 1.339 -4.203 1.00 0.00 N ATOM 0 H LYS B 40 -3.641 2.430 -4.298 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.920 4.795 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.634 1.893 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.735 3.223 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.696 3.811 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.584 2.491 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.889 1.798 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.271 0.850 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.457 2.379 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -9.110 3.273 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -10.686 1.678 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -10.229 1.268 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -9.597 0.403 -3.872 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.898 3.020 -1.033 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.647 3.042 0.407 1.00 0.00 C ATOM 1763 C LEU B 41 -2.784 4.230 0.782 1.00 0.00 C ATOM 1764 O LEU B 41 -3.076 4.954 1.738 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.965 1.741 0.851 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.519 1.673 2.316 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.692 1.852 3.262 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.805 0.364 2.589 1.00 0.00 C ATOM 0 H LEU B 41 -3.543 2.188 -1.504 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.606 3.132 0.917 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.650 0.914 0.663 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -2.091 1.580 0.220 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.825 2.494 2.494 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.340 1.798 4.292 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.156 2.823 3.087 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.424 1.064 3.087 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.494 0.330 3.633 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.479 -0.468 2.384 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.928 0.287 1.947 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.753 4.440 0.015 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.842 5.521 0.257 1.00 0.00 C ATOM 1782 C ILE B 42 -1.528 6.851 0.048 1.00 0.00 C ATOM 1783 O ILE B 42 -1.525 7.681 0.942 1.00 0.00 O ATOM 1784 CB ILE B 42 0.443 5.381 -0.591 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.161 4.120 -0.154 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.357 6.592 -0.431 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.418 3.830 -0.893 1.00 0.00 C ATOM 0 H ILE B 42 -1.520 3.867 -0.796 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.528 5.477 1.300 1.00 0.00 H new ATOM 0 HB ILE B 42 0.172 5.323 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.391 4.199 0.909 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.484 3.274 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.250 6.457 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.830 7.491 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.645 6.695 0.615 1.00 0.00 H new ATOM 0 HD11 ILE B 42 2.860 2.910 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.198 3.714 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.119 4.653 -0.756 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.187 7.010 -1.091 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.930 8.245 -1.433 1.00 0.00 C ATOM 1801 C ASN B 43 -3.931 8.600 -0.349 1.00 0.00 C ATOM 1802 O ASN B 43 -4.121 9.773 -0.029 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.665 8.108 -2.774 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.734 7.904 -3.944 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.594 8.382 -3.951 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.206 7.205 -4.940 1.00 0.00 N ATOM 0 H ASN B 43 -2.230 6.293 -1.815 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.192 9.043 -1.516 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.357 7.268 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.264 9.003 -2.946 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.628 7.036 -5.763 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.153 6.828 -4.895 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.545 7.574 0.223 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.483 7.721 1.325 1.00 0.00 C ATOM 1815 C LYS B 44 -4.806 8.426 2.502 1.00 0.00 C ATOM 1816 O LYS B 44 -5.304 9.429 3.012 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.970 6.335 1.762 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.969 6.332 2.911 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.264 4.918 3.385 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.892 4.069 2.288 1.00 0.00 C ATOM 1821 NZ LYS B 44 -9.186 4.617 1.810 1.00 0.00 N ATOM 0 H LYS B 44 -4.404 6.607 -0.068 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.332 8.322 0.998 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.426 5.840 0.904 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -5.105 5.738 2.052 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.575 6.920 3.740 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.895 6.811 2.592 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.340 4.449 3.723 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.935 4.956 4.243 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.200 3.997 1.449 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -8.046 3.057 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.651 3.921 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.799 4.820 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -9.016 5.494 1.277 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.655 7.921 2.901 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.926 8.487 4.015 1.00 0.00 C ATOM 1837 C PHE B 45 -2.267 9.811 3.666 1.00 0.00 C ATOM 1838 O PHE B 45 -2.228 10.718 4.488 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.942 7.483 4.620 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.631 6.453 5.469 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.188 5.317 4.914 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.743 6.647 6.832 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.839 4.392 5.707 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.395 5.729 7.627 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.944 4.600 7.063 1.00 0.00 C ATOM 0 H PHE B 45 -3.204 7.116 2.467 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.660 8.712 4.789 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.396 6.985 3.819 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.207 8.016 5.223 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.114 5.150 3.850 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.314 7.530 7.281 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.266 3.505 5.262 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.475 5.895 8.691 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.456 3.879 7.683 1.00 0.00 H new ATOM 1855 N MET B 46 -1.834 9.959 2.416 1.00 0.00 N ATOM 1856 CA MET B 46 -1.197 11.209 1.954 1.00 0.00 C ATOM 1857 C MET B 46 -2.251 12.325 1.857 1.00 0.00 C ATOM 1858 O MET B 46 -1.931 13.491 1.597 1.00 0.00 O ATOM 1859 CB MET B 46 -0.569 11.050 0.569 1.00 0.00 C ATOM 1860 CG MET B 46 0.370 9.883 0.423 1.00 0.00 C ATOM 1861 SD MET B 46 1.482 10.064 -0.966 1.00 0.00 S ATOM 1862 CE MET B 46 2.495 11.369 -0.315 1.00 0.00 C ATOM 0 H MET B 46 -1.908 9.236 1.700 1.00 0.00 H new ATOM 0 HA MET B 46 -0.420 11.457 2.677 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.368 10.947 -0.165 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.028 11.964 0.326 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.952 9.773 1.338 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.210 8.968 0.303 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.423 11.428 -0.884 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.962 12.316 -0.392 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.723 11.165 0.731 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.510 11.911 2.010 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.705 12.756 1.995 1.00 0.00 C ATOM 1874 C ASN B 47 -4.962 13.294 0.595 1.00 0.00 C ATOM 1875 O ASN B 47 -5.224 14.478 0.373 1.00 0.00 O ATOM 1876 CB ASN B 47 -4.648 13.875 3.059 1.00 0.00 C ATOM 1877 CG ASN B 47 -5.980 14.603 3.232 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -7.065 14.027 3.025 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -5.920 15.847 3.624 1.00 0.00 N ATOM 0 H ASN B 47 -3.735 10.927 2.155 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.556 12.133 2.270 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.349 13.445 4.015 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.880 14.596 2.779 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -6.779 16.378 3.770 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -5.014 16.288 3.784 1.00 0.00 H new ATOM 1886 N VAL B 48 -4.869 12.407 -0.352 1.00 0.00 N ATOM 1887 CA VAL B 48 -5.156 12.714 -1.722 1.00 0.00 C ATOM 1888 C VAL B 48 -6.510 12.198 -2.008 1.00 0.00 C ATOM 1889 O VAL B 48 -6.743 10.988 -2.011 1.00 0.00 O ATOM 1890 CB VAL B 48 -4.166 12.063 -2.701 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -4.466 12.472 -4.142 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -2.738 12.395 -2.333 1.00 0.00 C ATOM 0 H VAL B 48 -4.589 11.439 -0.193 1.00 0.00 H new ATOM 0 HA VAL B 48 -5.077 13.792 -1.859 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.290 10.983 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -3.750 11.996 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.475 12.157 -4.407 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -4.387 13.555 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -2.060 11.921 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -2.597 13.475 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -2.526 12.028 -1.329 1.00 0.00 H new ATOM 1902 N LYS B 49 -7.400 13.089 -2.184 1.00 0.00 N ATOM 1903 CA LYS B 49 -8.746 12.751 -2.469 1.00 0.00 C ATOM 1904 C LYS B 49 -8.937 12.783 -3.973 1.00 0.00 C ATOM 1905 O LYS B 49 -9.013 13.863 -4.572 1.00 0.00 O ATOM 1906 CB LYS B 49 -9.681 13.747 -1.798 1.00 0.00 C ATOM 1907 CG LYS B 49 -9.494 13.879 -0.281 1.00 0.00 C ATOM 1908 CD LYS B 49 -10.342 15.019 0.302 1.00 0.00 C ATOM 1909 CE LYS B 49 -11.826 14.844 -0.007 1.00 0.00 C ATOM 1910 NZ LYS B 49 -12.643 15.964 0.503 1.00 0.00 N ATOM 0 H LYS B 49 -7.219 14.092 -2.135 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.974 11.756 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -9.536 14.726 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.711 13.451 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.766 12.940 0.202 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.442 14.058 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.199 15.061 1.382 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.997 15.971 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -11.962 14.760 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -12.178 13.911 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -13.643 15.799 0.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -12.536 16.030 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -12.327 16.852 0.065 1.00 0.00 H new ATOM 1924 N ASP B 50 -8.920 11.633 -4.598 1.00 0.00 N ATOM 1925 CA ASP B 50 -9.089 11.588 -6.037 1.00 0.00 C ATOM 1926 C ASP B 50 -10.282 10.793 -6.490 1.00 0.00 C ATOM 1927 O ASP B 50 -10.400 9.578 -6.243 1.00 0.00 O ATOM 1928 CB ASP B 50 -7.829 11.124 -6.784 1.00 0.00 C ATOM 1929 CG ASP B 50 -8.044 11.018 -8.307 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -8.858 11.785 -8.879 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -7.351 10.213 -8.958 1.00 0.00 O ATOM 0 H ASP B 50 -8.793 10.727 -4.147 1.00 0.00 H new ATOM 0 HA ASP B 50 -9.275 12.628 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -7.016 11.822 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -7.519 10.153 -6.397 1.00 0.00 H new ATOM 1936 N LYS B 51 -11.170 11.509 -7.099 1.00 0.00 N ATOM 1937 CA LYS B 51 -12.280 10.987 -7.836 1.00 0.00 C ATOM 1938 C LYS B 51 -12.497 11.961 -8.995 1.00 0.00 C ATOM 1939 O LYS B 51 -13.543 12.003 -9.649 1.00 0.00 O ATOM 1940 CB LYS B 51 -13.522 10.888 -6.954 1.00 0.00 C ATOM 1941 CG LYS B 51 -14.054 12.209 -6.437 1.00 0.00 C ATOM 1942 CD LYS B 51 -15.368 11.998 -5.728 1.00 0.00 C ATOM 1943 CE LYS B 51 -15.987 13.307 -5.307 1.00 0.00 C ATOM 1944 NZ LYS B 51 -17.340 13.106 -4.790 1.00 0.00 N ATOM 0 H LYS B 51 -11.141 12.529 -7.097 1.00 0.00 H new ATOM 0 HA LYS B 51 -12.086 9.977 -8.197 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -14.311 10.393 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -13.292 10.249 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -13.332 12.658 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -14.187 12.905 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -16.055 11.464 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -15.212 11.370 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -15.368 13.777 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -16.016 13.989 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -17.743 14.022 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -17.934 12.679 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -17.306 12.473 -3.965 1.00 0.00 H new ATOM 1958 N VAL B 52 -11.452 12.725 -9.260 1.00 0.00 N ATOM 1959 CA VAL B 52 -11.495 13.772 -10.247 1.00 0.00 C ATOM 1960 C VAL B 52 -10.886 13.307 -11.551 1.00 0.00 C ATOM 1961 O VAL B 52 -11.159 13.876 -12.606 1.00 0.00 O ATOM 1962 CB VAL B 52 -10.816 15.089 -9.756 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -11.565 15.667 -8.568 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -9.350 14.869 -9.392 1.00 0.00 C ATOM 0 H VAL B 52 -10.551 12.631 -8.792 1.00 0.00 H new ATOM 0 HA VAL B 52 -12.547 14.004 -10.414 1.00 0.00 H new ATOM 0 HB VAL B 52 -10.854 15.799 -10.582 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -11.076 16.585 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -12.593 15.887 -8.858 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -11.565 14.945 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -8.914 15.809 -9.055 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -9.280 14.130 -8.594 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -8.808 14.510 -10.267 1.00 0.00 H new ATOM 1974 N HIS B 53 -10.058 12.280 -11.485 1.00 0.00 N ATOM 1975 CA HIS B 53 -9.492 11.702 -12.698 1.00 0.00 C ATOM 1976 C HIS B 53 -10.373 10.575 -13.196 1.00 0.00 C ATOM 1977 O HIS B 53 -10.314 10.194 -14.375 1.00 0.00 O ATOM 1978 CB HIS B 53 -8.070 11.173 -12.484 1.00 0.00 C ATOM 1979 CG HIS B 53 -7.059 12.186 -12.051 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -6.537 12.232 -10.786 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -6.438 13.166 -12.747 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -5.634 13.202 -10.731 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -5.530 13.814 -11.907 1.00 0.00 N ATOM 0 H HIS B 53 -9.763 11.831 -10.618 1.00 0.00 H new ATOM 0 HA HIS B 53 -9.444 12.500 -13.439 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -8.106 10.380 -11.737 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -7.727 10.719 -13.414 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -6.616 13.408 -13.784 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -5.062 13.459 -9.852 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -4.916 14.593 -12.145 1.00 0.00 H new ATOM 1991 N LYS B 54 -11.197 10.060 -12.307 1.00 0.00 N ATOM 1992 CA LYS B 54 -12.072 8.942 -12.610 1.00 0.00 C ATOM 1993 C LYS B 54 -13.275 8.902 -11.671 1.00 0.00 C ATOM 1994 O LYS B 54 -13.107 8.846 -10.451 1.00 0.00 O ATOM 1995 CB LYS B 54 -11.298 7.609 -12.533 1.00 0.00 C ATOM 1996 CG LYS B 54 -12.167 6.370 -12.762 1.00 0.00 C ATOM 1997 CD LYS B 54 -11.356 5.077 -12.786 1.00 0.00 C ATOM 1998 CE LYS B 54 -10.429 4.989 -14.001 1.00 0.00 C ATOM 1999 NZ LYS B 54 -11.173 5.028 -15.287 1.00 0.00 N ATOM 0 H LYS B 54 -11.280 10.405 -11.351 1.00 0.00 H new ATOM 0 HA LYS B 54 -12.440 9.081 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -10.499 7.622 -13.274 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -10.824 7.532 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -12.918 6.308 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -12.702 6.476 -13.706 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -10.762 5.007 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -12.036 4.225 -12.790 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -9.717 5.814 -13.971 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -9.851 4.067 -13.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -10.540 4.747 -16.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.978 4.371 -15.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -11.522 5.993 -15.457 1.00 0.00 H new ATOM 2013 N LEU B 55 -14.470 8.922 -12.278 1.00 0.00 N ATOM 2014 CA LEU B 55 -15.769 8.805 -11.625 1.00 0.00 C ATOM 2015 C LEU B 55 -16.061 9.849 -10.549 1.00 0.00 C ATOM 2016 O LEU B 55 -15.596 9.751 -9.409 1.00 0.00 O ATOM 2017 CB LEU B 55 -15.975 7.404 -11.121 1.00 0.00 C ATOM 2018 CG LEU B 55 -16.133 6.310 -12.177 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -16.238 4.963 -11.505 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -17.367 6.556 -13.036 1.00 0.00 C ATOM 0 H LEU B 55 -14.554 9.026 -13.289 1.00 0.00 H new ATOM 0 HA LEU B 55 -16.504 9.025 -12.399 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -15.129 7.143 -10.485 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -16.863 7.397 -10.489 1.00 0.00 H new ATOM 0 HG LEU B 55 -15.256 6.328 -12.824 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -16.350 4.187 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -15.335 4.775 -10.924 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -17.104 4.953 -10.843 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -17.457 5.764 -13.779 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -18.255 6.563 -12.404 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -17.273 7.518 -13.540 1.00 0.00 H new ATOM 2032 N GLU B 56 -16.872 10.832 -10.937 1.00 0.00 N ATOM 2033 CA GLU B 56 -17.283 11.932 -10.057 1.00 0.00 C ATOM 2034 C GLU B 56 -18.079 11.393 -8.891 1.00 0.00 C ATOM 2035 O GLU B 56 -17.787 11.687 -7.733 1.00 0.00 O ATOM 2036 CB GLU B 56 -18.146 12.993 -10.782 1.00 0.00 C ATOM 2037 CG GLU B 56 -17.514 13.667 -11.995 1.00 0.00 C ATOM 2038 CD GLU B 56 -17.444 12.768 -13.197 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -18.433 12.678 -13.935 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -16.398 12.135 -13.425 1.00 0.00 O ATOM 0 H GLU B 56 -17.266 10.891 -11.876 1.00 0.00 H new ATOM 0 HA GLU B 56 -16.365 12.412 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -19.075 12.519 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -18.413 13.766 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.088 14.559 -12.248 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -16.508 13.998 -11.737 1.00 0.00 H new ATOM 2047 N HIS B 57 -19.089 10.606 -9.188 1.00 0.00 N ATOM 2048 CA HIS B 57 -19.869 10.018 -8.140 1.00 0.00 C ATOM 2049 C HIS B 57 -19.385 8.635 -7.817 1.00 0.00 C ATOM 2050 O HIS B 57 -19.928 7.627 -8.274 1.00 0.00 O ATOM 2051 CB HIS B 57 -21.405 10.091 -8.345 1.00 0.00 C ATOM 2052 CG HIS B 57 -21.965 9.506 -9.621 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -22.697 8.338 -9.672 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -21.955 9.992 -10.884 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -23.102 8.155 -10.924 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -22.680 9.133 -11.709 1.00 0.00 N ATOM 0 H HIS B 57 -19.381 10.365 -10.135 1.00 0.00 H new ATOM 0 HA HIS B 57 -19.703 10.645 -7.264 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -21.881 9.585 -7.505 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -21.702 11.139 -8.296 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -21.464 10.900 -11.202 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -23.697 7.318 -11.257 1.00 0.00 H new ATOM 0 HE2 HIS B 57 -22.850 9.237 -12.709 1.00 0.00 H new ATOM 2064 N HIS B 58 -18.306 8.599 -7.112 1.00 0.00 N ATOM 2065 CA HIS B 58 -17.735 7.378 -6.668 1.00 0.00 C ATOM 2066 C HIS B 58 -17.039 7.626 -5.359 1.00 0.00 C ATOM 2067 O HIS B 58 -15.943 8.187 -5.316 1.00 0.00 O ATOM 2068 CB HIS B 58 -16.771 6.780 -7.718 1.00 0.00 C ATOM 2069 CG HIS B 58 -16.189 5.429 -7.362 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -16.688 4.232 -7.821 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -15.121 5.108 -6.589 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -15.940 3.245 -7.330 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -14.968 3.722 -6.571 1.00 0.00 N ATOM 0 H HIS B 58 -17.790 9.430 -6.825 1.00 0.00 H new ATOM 0 HA HIS B 58 -18.525 6.641 -6.528 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -17.302 6.691 -8.666 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -15.951 7.481 -7.876 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -14.490 5.814 -6.070 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -16.105 2.196 -7.526 1.00 0.00 H new ATOM 0 HE2 HIS B 58 -14.255 3.187 -6.075 1.00 0.00 H new ATOM 2081 N HIS B 59 -17.708 7.286 -4.312 1.00 0.00 N ATOM 2082 CA HIS B 59 -17.173 7.403 -2.976 1.00 0.00 C ATOM 2083 C HIS B 59 -17.883 6.397 -2.122 1.00 0.00 C ATOM 2084 O HIS B 59 -17.256 5.652 -1.384 1.00 0.00 O ATOM 2085 CB HIS B 59 -17.356 8.837 -2.414 1.00 0.00 C ATOM 2086 CG HIS B 59 -16.771 9.051 -1.041 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -15.498 9.525 -0.809 1.00 0.00 N ATOM 2088 CD2 HIS B 59 -17.323 8.858 0.182 1.00 0.00 C ATOM 2089 CE1 HIS B 59 -15.318 9.603 0.512 1.00 0.00 C ATOM 2090 NE2 HIS B 59 -16.399 9.207 1.161 1.00 0.00 N ATOM 0 H HIS B 59 -18.656 6.912 -4.347 1.00 0.00 H new ATOM 0 HA HIS B 59 -16.100 7.211 -2.984 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -16.898 9.545 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -18.421 9.067 -2.381 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -18.322 8.491 0.367 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -14.410 9.944 0.987 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -16.529 9.166 2.172 1.00 0.00 H new ATOM 2098 N HIS B 60 -19.194 6.388 -2.250 1.00 0.00 N ATOM 2099 CA HIS B 60 -20.085 5.468 -1.574 1.00 0.00 C ATOM 2100 C HIS B 60 -21.490 5.796 -2.039 1.00 0.00 C ATOM 2101 O HIS B 60 -21.831 6.970 -2.183 1.00 0.00 O ATOM 2102 CB HIS B 60 -19.992 5.607 -0.029 1.00 0.00 C ATOM 2103 CG HIS B 60 -20.827 4.609 0.735 1.00 0.00 C ATOM 2104 ND1 HIS B 60 -20.359 3.397 1.186 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -22.126 4.673 1.125 1.00 0.00 C ATOM 2106 CE1 HIS B 60 -21.353 2.775 1.820 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -22.456 3.511 1.813 1.00 0.00 N ATOM 0 H HIS B 60 -19.687 7.048 -2.852 1.00 0.00 H new ATOM 0 HA HIS B 60 -19.810 4.441 -1.815 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -18.950 5.498 0.272 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -20.301 6.613 0.253 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -22.797 5.497 0.931 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -21.271 1.801 2.279 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -23.358 3.274 2.226 1.00 0.00 H new ATOM 2115 N HIS B 61 -22.285 4.801 -2.294 1.00 0.00 N ATOM 2116 CA HIS B 61 -23.636 5.039 -2.730 1.00 0.00 C ATOM 2117 C HIS B 61 -24.582 4.186 -1.941 1.00 0.00 C ATOM 2118 O HIS B 61 -24.166 3.240 -1.265 1.00 0.00 O ATOM 2119 CB HIS B 61 -23.831 4.765 -4.249 1.00 0.00 C ATOM 2120 CG HIS B 61 -23.625 3.330 -4.700 1.00 0.00 C ATOM 2121 ND1 HIS B 61 -24.599 2.340 -4.628 1.00 0.00 N ATOM 2122 CD2 HIS B 61 -22.544 2.743 -5.267 1.00 0.00 C ATOM 2123 CE1 HIS B 61 -24.094 1.225 -5.145 1.00 0.00 C ATOM 2124 NE2 HIS B 61 -22.841 1.410 -5.551 1.00 0.00 N ATOM 0 H HIS B 61 -22.027 3.818 -2.209 1.00 0.00 H new ATOM 0 HA HIS B 61 -23.847 6.095 -2.560 1.00 0.00 H new ATOM 0 HB2 HIS B 61 -24.840 5.070 -4.526 1.00 0.00 H new ATOM 0 HB3 HIS B 61 -23.142 5.401 -4.804 1.00 0.00 H new ATOM 0 HD1 HIS B 61 -25.538 2.451 -4.245 1.00 0.00 H new ATOM 0 HD2 HIS B 61 -21.601 3.230 -5.468 1.00 0.00 H new ATOM 0 HE1 HIS B 61 -24.631 0.291 -5.225 1.00 0.00 H new ATOM 2132 N HIS B 62 -25.821 4.525 -2.017 1.00 0.00 N ATOM 2133 CA HIS B 62 -26.861 3.739 -1.448 1.00 0.00 C ATOM 2134 C HIS B 62 -27.514 2.948 -2.575 1.00 0.00 C ATOM 2135 O HIS B 62 -26.960 1.913 -2.964 1.00 0.00 O ATOM 2136 CB HIS B 62 -27.872 4.611 -0.642 1.00 0.00 C ATOM 2137 CG HIS B 62 -28.325 5.892 -1.313 1.00 0.00 C ATOM 2138 ND1 HIS B 62 -28.933 5.940 -2.537 1.00 0.00 N ATOM 2139 CD2 HIS B 62 -28.219 7.176 -0.902 1.00 0.00 C ATOM 2140 CE1 HIS B 62 -29.178 7.206 -2.841 1.00 0.00 C ATOM 2141 NE2 HIS B 62 -28.763 8.011 -1.877 1.00 0.00 N ATOM 2142 OXT HIS B 62 -28.526 3.390 -3.138 1.00 0.00 O ATOM 0 H HIS B 62 -26.147 5.371 -2.484 1.00 0.00 H new ATOM 0 HA HIS B 62 -26.454 3.042 -0.715 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -28.753 4.006 -0.427 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -27.419 4.866 0.316 1.00 0.00 H new ATOM 0 HD1 HIS B 62 -29.160 5.134 -3.120 1.00 0.00 H new ATOM 0 HD2 HIS B 62 -27.783 7.502 0.031 1.00 0.00 H new ATOM 0 HE1 HIS B 62 -29.653 7.536 -3.753 1.00 0.00 H new TER 2150 HIS B 62