USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=29 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: B 58 HIS : no HE2:sc= 0.48 K(o=0.93,f=-7.1!) USER MOD Set 1.2: B 60 HIS : no HD1:sc= 0.451 K(o=0.93,f=-1.5) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.752 X(o=-2.1,f=-2.4) USER MOD Set 2.2: B 3 MET CE :methyl 167:sc= -0.0355 (180deg=-0.314) USER MOD Set 2.3: B 46 MET CE :methyl -123:sc= -1.34 (180deg=-3.12!) USER MOD Set 3.1: A 47 ASN : amide:sc= -0.157 K(o=3.2,f=0.13) USER MOD Set 3.2: A 49 LYS NZ :NH3+ 150:sc= 2.45 (180deg=0.78) USER MOD Set 3.3: A 57 HIS : no HE2:sc= 0.941 K(o=3.2,f=-6.5!) USER MOD Set 4.1: A 46 MET CE :methyl -156:sc= -0.182 (180deg=-0.856) USER MOD Set 4.2: B 24 HIS : no HD1:sc= -0.674 K(o=-0.86,f=-0.066) USER MOD Set 5.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 3 MET CE :methyl -168:sc= 0 (180deg=-0.272) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0647 (180deg=-0.424) USER MOD Single : A 5 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 8 ASN : amide:sc= 1.13 K(o=1.1,f=-0.092) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= -0.0554 (180deg=-0.375) USER MOD Single : A 12 ASN : amide:sc= 0.135 X(o=0.13,f=-0.0051) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0.996 (180deg=0.885) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 1.36 (180deg=0.964) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= -0.0403 (180deg=-0.389) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 28 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.11) USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= 1.21 (180deg=0.604) USER MOD Single : A 35 SER OG : rot -91:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0187 (180deg=-0.212) USER MOD Single : A 43 ASN : amide:sc= 0.587 K(o=0.59,f=-0.99) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc=-0.00306 (180deg=-0.0972) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.676 K(o=-0.68,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= 0.475 (180deg=-0.143) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.504 K(o=0.5,f=-4.8!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0125 X(o=-0.012,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 -162:sc= -0.0961 (180deg=-0.507) USER MOD Single : B 1 MET N :NH3+ 176:sc= 1.1 (180deg=0.965) USER MOD Single : B 5 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.49) USER MOD Single : B 7 LYS NZ :NH3+ -168:sc=-0.00094 (180deg=-0.11) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : B 13 LYS NZ :NH3+ 176:sc= 2.24 (180deg=2.18) USER MOD Single : B 14 LYS NZ :NH3+ -176:sc= 1.96 (180deg=1.89) USER MOD Single : B 15 LYS NZ :NH3+ 168:sc= -0.0293 (180deg=-0.203) USER MOD Single : B 19 GLN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot -82:sc= 1.16 USER MOD Single : B 40 LYS NZ :NH3+ 179:sc= -0.401 (180deg=-0.474) USER MOD Single : B 43 ASN : amide:sc= 0.792 K(o=0.79,f=-0.34) USER MOD Single : B 44 LYS NZ :NH3+ -173:sc=-0.00659 (180deg=-0.0648) USER MOD Single : B 47 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.029) USER MOD Single : B 49 LYS NZ :NH3+ 155:sc= 1.15 (180deg=0.698) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : B 54 LYS NZ :NH3+ 170:sc= 1.3 (180deg=0.93) USER MOD Single : B 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.475 -17.136 -4.298 1.00 0.00 N ATOM 2 CA MET A 1 15.799 -17.434 -3.750 1.00 0.00 C ATOM 3 C MET A 1 15.933 -16.811 -2.378 1.00 0.00 C ATOM 4 O MET A 1 16.100 -15.596 -2.272 1.00 0.00 O ATOM 5 CB MET A 1 16.915 -16.926 -4.678 1.00 0.00 C ATOM 6 CG MET A 1 18.319 -17.281 -4.196 1.00 0.00 C ATOM 7 SD MET A 1 19.624 -16.739 -5.325 1.00 0.00 S ATOM 8 CE MET A 1 19.410 -14.956 -5.285 1.00 0.00 C ATOM 0 H1 MET A 1 14.385 -17.565 -5.241 1.00 0.00 H new ATOM 0 H2 MET A 1 13.744 -17.525 -3.669 1.00 0.00 H new ATOM 0 H3 MET A 1 14.354 -16.106 -4.374 1.00 0.00 H new ATOM 0 HA MET A 1 15.902 -18.516 -3.669 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.766 -17.343 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.835 -15.843 -4.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.484 -16.830 -3.218 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.388 -18.361 -4.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.291 -14.474 -5.709 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.530 -14.682 -5.868 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.279 -14.628 -4.254 1.00 0.00 H new ATOM 20 N GLU A 2 15.816 -17.650 -1.345 1.00 0.00 N ATOM 21 CA GLU A 2 15.901 -17.259 0.062 1.00 0.00 C ATOM 22 C GLU A 2 14.936 -16.148 0.414 1.00 0.00 C ATOM 23 O GLU A 2 15.286 -14.951 0.433 1.00 0.00 O ATOM 24 CB GLU A 2 17.331 -16.964 0.505 1.00 0.00 C ATOM 25 CG GLU A 2 18.229 -18.182 0.421 1.00 0.00 C ATOM 26 CD GLU A 2 19.635 -17.904 0.852 1.00 0.00 C ATOM 27 OE1 GLU A 2 20.439 -17.449 0.016 1.00 0.00 O ATOM 28 OE2 GLU A 2 19.967 -18.147 2.029 1.00 0.00 O ATOM 0 H GLU A 2 15.655 -18.649 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 2 15.584 -18.127 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.744 -16.169 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.321 -16.594 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.815 -18.975 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.236 -18.551 -0.604 1.00 0.00 H new ATOM 35 N MET A 3 13.715 -16.546 0.698 1.00 0.00 N ATOM 36 CA MET A 3 12.640 -15.612 0.964 1.00 0.00 C ATOM 37 C MET A 3 12.824 -14.882 2.277 1.00 0.00 C ATOM 38 O MET A 3 12.151 -13.897 2.528 1.00 0.00 O ATOM 39 CB MET A 3 11.270 -16.286 0.910 1.00 0.00 C ATOM 40 CG MET A 3 10.961 -16.934 -0.424 1.00 0.00 C ATOM 41 SD MET A 3 11.167 -15.808 -1.822 1.00 0.00 S ATOM 42 CE MET A 3 10.720 -16.910 -3.145 1.00 0.00 C ATOM 0 H MET A 3 13.438 -17.526 0.751 1.00 0.00 H new ATOM 0 HA MET A 3 12.681 -14.870 0.167 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.217 -17.043 1.692 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.502 -15.545 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.612 -17.797 -0.561 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.936 -17.306 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.990 -16.460 -4.100 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.250 -17.855 -3.026 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.645 -17.091 -3.120 1.00 0.00 H new ATOM 52 N GLY A 4 13.721 -15.376 3.111 1.00 0.00 N ATOM 53 CA GLY A 4 14.027 -14.711 4.352 1.00 0.00 C ATOM 54 C GLY A 4 14.743 -13.404 4.090 1.00 0.00 C ATOM 55 O GLY A 4 14.329 -12.346 4.564 1.00 0.00 O ATOM 0 H GLY A 4 14.247 -16.235 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.108 -14.524 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.649 -15.355 4.973 1.00 0.00 H new ATOM 59 N GLN A 5 15.793 -13.463 3.287 1.00 0.00 N ATOM 60 CA GLN A 5 16.558 -12.268 2.943 1.00 0.00 C ATOM 61 C GLN A 5 15.724 -11.342 2.079 1.00 0.00 C ATOM 62 O GLN A 5 15.746 -10.120 2.256 1.00 0.00 O ATOM 63 CB GLN A 5 17.875 -12.620 2.245 1.00 0.00 C ATOM 64 CG GLN A 5 18.873 -13.337 3.133 1.00 0.00 C ATOM 65 CD GLN A 5 20.183 -13.626 2.426 1.00 0.00 C ATOM 66 OE1 GLN A 5 21.108 -12.804 2.435 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.298 -14.792 1.849 1.00 0.00 N ATOM 0 H GLN A 5 16.137 -14.323 2.860 1.00 0.00 H new ATOM 0 HA GLN A 5 16.809 -11.754 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.659 -13.246 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.331 -11.704 1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.068 -12.730 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.437 -14.274 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.515 -15.446 1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.170 -15.049 1.387 1.00 0.00 H new ATOM 76 N LEU A 6 14.955 -11.940 1.189 1.00 0.00 N ATOM 77 CA LEU A 6 14.056 -11.219 0.309 1.00 0.00 C ATOM 78 C LEU A 6 13.019 -10.437 1.140 1.00 0.00 C ATOM 79 O LEU A 6 12.791 -9.245 0.906 1.00 0.00 O ATOM 80 CB LEU A 6 13.413 -12.236 -0.682 1.00 0.00 C ATOM 81 CG LEU A 6 12.410 -11.737 -1.746 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.031 -11.510 -1.159 1.00 0.00 C ATOM 83 CD2 LEU A 6 12.920 -10.474 -2.424 1.00 0.00 C ATOM 0 H LEU A 6 14.937 -12.951 1.055 1.00 0.00 H new ATOM 0 HA LEU A 6 14.594 -10.476 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.226 -12.735 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.906 -12.995 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 6 12.321 -12.521 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.356 -11.160 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.653 -12.445 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.091 -10.762 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.196 -10.143 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.057 -9.691 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 6 13.872 -10.682 -2.911 1.00 0.00 H new ATOM 95 N LYS A 7 12.439 -11.105 2.134 1.00 0.00 N ATOM 96 CA LYS A 7 11.470 -10.489 3.035 1.00 0.00 C ATOM 97 C LYS A 7 12.080 -9.345 3.786 1.00 0.00 C ATOM 98 O LYS A 7 11.443 -8.331 3.986 1.00 0.00 O ATOM 99 CB LYS A 7 10.944 -11.502 4.033 1.00 0.00 C ATOM 100 CG LYS A 7 9.445 -11.802 3.903 1.00 0.00 C ATOM 101 CD LYS A 7 8.545 -10.647 4.378 1.00 0.00 C ATOM 102 CE LYS A 7 8.640 -10.452 5.889 1.00 0.00 C ATOM 103 NZ LYS A 7 7.739 -9.389 6.394 1.00 0.00 N ATOM 0 H LYS A 7 12.627 -12.087 2.337 1.00 0.00 H new ATOM 0 HA LYS A 7 10.649 -10.119 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.500 -12.432 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.143 -11.138 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.216 -12.026 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.210 -12.696 4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.835 -9.726 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.511 -10.852 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.399 -11.391 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.668 -10.205 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.847 -9.303 7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.983 -8.484 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.753 -9.633 6.169 1.00 0.00 H new ATOM 117 N ASN A 8 13.309 -9.514 4.210 1.00 0.00 N ATOM 118 CA ASN A 8 14.002 -8.470 4.935 1.00 0.00 C ATOM 119 C ASN A 8 14.269 -7.249 4.078 1.00 0.00 C ATOM 120 O ASN A 8 14.218 -6.116 4.578 1.00 0.00 O ATOM 121 CB ASN A 8 15.261 -8.957 5.631 1.00 0.00 C ATOM 122 CG ASN A 8 14.981 -9.702 6.922 1.00 0.00 C ATOM 123 OD1 ASN A 8 14.899 -9.096 7.997 1.00 0.00 O ATOM 124 ND2 ASN A 8 14.833 -10.993 6.851 1.00 0.00 N ATOM 0 H ASN A 8 13.853 -10.365 4.067 1.00 0.00 H new ATOM 0 HA ASN A 8 13.317 -8.163 5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.813 -9.610 4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.904 -8.103 5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.644 -11.532 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.906 -11.466 5.950 1.00 0.00 H new ATOM 131 N LYS A 9 14.553 -7.462 2.795 1.00 0.00 N ATOM 132 CA LYS A 9 14.722 -6.347 1.866 1.00 0.00 C ATOM 133 C LYS A 9 13.405 -5.612 1.729 1.00 0.00 C ATOM 134 O LYS A 9 13.355 -4.378 1.790 1.00 0.00 O ATOM 135 CB LYS A 9 15.206 -6.822 0.497 1.00 0.00 C ATOM 136 CG LYS A 9 16.584 -7.434 0.510 1.00 0.00 C ATOM 137 CD LYS A 9 17.026 -7.830 -0.883 1.00 0.00 C ATOM 138 CE LYS A 9 18.436 -8.392 -0.870 1.00 0.00 C ATOM 139 NZ LYS A 9 19.422 -7.412 -0.362 1.00 0.00 N ATOM 0 H LYS A 9 14.670 -8.386 2.378 1.00 0.00 H new ATOM 0 HA LYS A 9 15.483 -5.677 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.499 -7.554 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.202 -5.977 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.295 -6.723 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.588 -8.311 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.339 -8.573 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.983 -6.963 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.463 -9.288 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.714 -8.695 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.384 -7.746 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.267 -6.493 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.309 -7.307 0.667 1.00 0.00 H new ATOM 153 N ILE A 10 12.340 -6.393 1.573 1.00 0.00 N ATOM 154 CA ILE A 10 10.971 -5.884 1.546 1.00 0.00 C ATOM 155 C ILE A 10 10.686 -5.082 2.799 1.00 0.00 C ATOM 156 O ILE A 10 10.189 -3.971 2.699 1.00 0.00 O ATOM 157 CB ILE A 10 9.942 -7.051 1.416 1.00 0.00 C ATOM 158 CG1 ILE A 10 9.993 -7.635 0.010 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.515 -6.627 1.794 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.055 -8.789 -0.219 1.00 0.00 C ATOM 0 H ILE A 10 12.403 -7.405 1.461 1.00 0.00 H new ATOM 0 HA ILE A 10 10.868 -5.237 0.675 1.00 0.00 H new ATOM 0 HB ILE A 10 10.227 -7.822 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.761 -6.847 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.011 -7.964 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.842 -7.477 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.500 -6.282 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.189 -5.820 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.157 -9.143 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.299 -9.598 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.029 -8.463 -0.048 1.00 0.00 H new ATOM 172 N GLU A 11 11.039 -5.629 3.957 1.00 0.00 N ATOM 173 CA GLU A 11 10.866 -4.936 5.223 1.00 0.00 C ATOM 174 C GLU A 11 11.544 -3.596 5.197 1.00 0.00 C ATOM 175 O GLU A 11 10.907 -2.591 5.423 1.00 0.00 O ATOM 176 CB GLU A 11 11.417 -5.753 6.386 1.00 0.00 C ATOM 177 CG GLU A 11 10.602 -6.968 6.724 1.00 0.00 C ATOM 178 CD GLU A 11 9.207 -6.603 7.140 1.00 0.00 C ATOM 179 OE1 GLU A 11 9.004 -6.132 8.289 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.275 -6.765 6.335 1.00 0.00 O ATOM 0 H GLU A 11 11.450 -6.559 4.042 1.00 0.00 H new ATOM 0 HA GLU A 11 9.794 -4.797 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.433 -6.066 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.479 -5.114 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.562 -7.631 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.089 -7.520 7.528 1.00 0.00 H new ATOM 187 N ASN A 12 12.814 -3.587 4.844 1.00 0.00 N ATOM 188 CA ASN A 12 13.593 -2.357 4.807 1.00 0.00 C ATOM 189 C ASN A 12 12.995 -1.335 3.863 1.00 0.00 C ATOM 190 O ASN A 12 12.796 -0.182 4.237 1.00 0.00 O ATOM 191 CB ASN A 12 15.070 -2.621 4.445 1.00 0.00 C ATOM 192 CG ASN A 12 15.821 -1.328 4.137 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.313 -0.649 5.038 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.970 -1.021 2.872 1.00 0.00 N ATOM 0 H ASN A 12 13.335 -4.422 4.576 1.00 0.00 H new ATOM 0 HA ASN A 12 13.560 -1.944 5.815 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.559 -3.137 5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.119 -3.284 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.508 -0.196 2.607 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.548 -1.607 2.152 1.00 0.00 H new ATOM 201 N LYS A 13 12.660 -1.773 2.672 1.00 0.00 N ATOM 202 CA LYS A 13 12.175 -0.881 1.650 1.00 0.00 C ATOM 203 C LYS A 13 10.786 -0.333 2.022 1.00 0.00 C ATOM 204 O LYS A 13 10.495 0.846 1.812 1.00 0.00 O ATOM 205 CB LYS A 13 12.173 -1.599 0.298 1.00 0.00 C ATOM 206 CG LYS A 13 12.284 -0.669 -0.896 1.00 0.00 C ATOM 207 CD LYS A 13 13.558 0.186 -0.820 1.00 0.00 C ATOM 208 CE LYS A 13 14.849 -0.624 -0.850 1.00 0.00 C ATOM 209 NZ LYS A 13 15.136 -1.169 -2.190 1.00 0.00 N ATOM 0 H LYS A 13 12.716 -2.751 2.387 1.00 0.00 H new ATOM 0 HA LYS A 13 12.841 -0.022 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.002 -2.306 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.255 -2.180 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.290 -1.254 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.409 -0.020 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.562 0.889 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.533 0.777 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.679 0.007 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.778 -1.443 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.063 -1.640 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.401 -1.857 -2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.146 -0.395 -2.885 1.00 0.00 H new ATOM 223 N LYS A 14 9.968 -1.198 2.596 1.00 0.00 N ATOM 224 CA LYS A 14 8.660 -0.863 3.120 1.00 0.00 C ATOM 225 C LYS A 14 8.816 0.195 4.207 1.00 0.00 C ATOM 226 O LYS A 14 8.150 1.209 4.185 1.00 0.00 O ATOM 227 CB LYS A 14 8.048 -2.128 3.737 1.00 0.00 C ATOM 228 CG LYS A 14 6.639 -2.004 4.289 1.00 0.00 C ATOM 229 CD LYS A 14 6.230 -3.279 5.037 1.00 0.00 C ATOM 230 CE LYS A 14 7.012 -3.434 6.334 1.00 0.00 C ATOM 231 NZ LYS A 14 6.707 -4.698 7.046 1.00 0.00 N ATOM 0 H LYS A 14 10.205 -2.183 2.713 1.00 0.00 H new ATOM 0 HA LYS A 14 8.020 -0.481 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.049 -2.911 2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.701 -2.464 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.582 -1.149 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.940 -1.816 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.162 -3.249 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.401 -4.147 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.079 -3.395 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.790 -2.592 6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.175 -4.695 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.679 -4.783 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.053 -5.504 6.487 1.00 0.00 H new ATOM 245 N LYS A 15 9.735 -0.049 5.135 1.00 0.00 N ATOM 246 CA LYS A 15 9.988 0.853 6.253 1.00 0.00 C ATOM 247 C LYS A 15 10.509 2.193 5.774 1.00 0.00 C ATOM 248 O LYS A 15 10.050 3.226 6.252 1.00 0.00 O ATOM 249 CB LYS A 15 10.932 0.211 7.270 1.00 0.00 C ATOM 250 CG LYS A 15 10.375 -1.081 7.865 1.00 0.00 C ATOM 251 CD LYS A 15 11.392 -1.800 8.738 1.00 0.00 C ATOM 252 CE LYS A 15 11.568 -1.123 10.074 1.00 0.00 C ATOM 253 NZ LYS A 15 10.342 -1.234 10.897 1.00 0.00 N ATOM 0 H LYS A 15 10.327 -0.880 5.133 1.00 0.00 H new ATOM 0 HA LYS A 15 9.039 1.039 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.888 0.001 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.128 0.920 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.488 -0.853 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.059 -1.743 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.073 -2.831 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.351 -1.838 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.407 -1.573 10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.813 -0.072 9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.583 -1.093 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.658 -0.509 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.923 -2.178 10.771 1.00 0.00 H new ATOM 267 N GLU A 16 11.438 2.179 4.799 1.00 0.00 N ATOM 268 CA GLU A 16 11.941 3.422 4.195 1.00 0.00 C ATOM 269 C GLU A 16 10.773 4.229 3.624 1.00 0.00 C ATOM 270 O GLU A 16 10.720 5.458 3.753 1.00 0.00 O ATOM 271 CB GLU A 16 12.955 3.158 3.064 1.00 0.00 C ATOM 272 CG GLU A 16 14.323 2.631 3.473 1.00 0.00 C ATOM 273 CD GLU A 16 15.277 2.594 2.284 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.680 3.681 1.801 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.602 1.508 1.778 1.00 0.00 O ATOM 0 H GLU A 16 11.851 1.328 4.417 1.00 0.00 H new ATOM 0 HA GLU A 16 12.449 3.977 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.511 2.445 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.100 4.088 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.740 3.263 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.220 1.630 3.891 1.00 0.00 H new ATOM 282 N LEU A 17 9.839 3.516 3.025 1.00 0.00 N ATOM 283 CA LEU A 17 8.658 4.098 2.438 1.00 0.00 C ATOM 284 C LEU A 17 7.719 4.638 3.499 1.00 0.00 C ATOM 285 O LEU A 17 7.209 5.746 3.360 1.00 0.00 O ATOM 286 CB LEU A 17 7.969 3.065 1.504 1.00 0.00 C ATOM 287 CG LEU A 17 6.559 3.371 0.954 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.473 3.102 1.959 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.469 4.764 0.350 1.00 0.00 C ATOM 0 H LEU A 17 9.884 2.501 2.934 1.00 0.00 H new ATOM 0 HA LEU A 17 8.951 4.954 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.627 2.905 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.913 2.120 2.045 1.00 0.00 H new ATOM 0 HG LEU A 17 6.387 2.670 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.504 3.335 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.497 2.051 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.630 3.725 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.459 4.934 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.704 5.507 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.179 4.851 -0.472 1.00 0.00 H new ATOM 301 N ILE A 18 7.479 3.854 4.540 1.00 0.00 N ATOM 302 CA ILE A 18 6.573 4.243 5.617 1.00 0.00 C ATOM 303 C ILE A 18 7.000 5.579 6.193 1.00 0.00 C ATOM 304 O ILE A 18 6.178 6.459 6.402 1.00 0.00 O ATOM 305 CB ILE A 18 6.512 3.170 6.746 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.926 1.868 6.192 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.682 3.670 7.954 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.127 0.672 7.085 1.00 0.00 C ATOM 0 H ILE A 18 7.903 2.935 4.664 1.00 0.00 H new ATOM 0 HA ILE A 18 5.573 4.328 5.192 1.00 0.00 H new ATOM 0 HB ILE A 18 7.526 2.984 7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.858 2.006 6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.378 1.663 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.659 2.899 8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.137 4.574 8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.665 3.890 7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.683 -0.208 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.194 0.504 7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.650 0.853 8.048 1.00 0.00 H new ATOM 320 N GLN A 19 8.299 5.729 6.369 1.00 0.00 N ATOM 321 CA GLN A 19 8.896 6.953 6.878 1.00 0.00 C ATOM 322 C GLN A 19 8.616 8.120 5.923 1.00 0.00 C ATOM 323 O GLN A 19 8.330 9.237 6.357 1.00 0.00 O ATOM 324 CB GLN A 19 10.401 6.774 7.036 1.00 0.00 C ATOM 325 CG GLN A 19 10.804 5.635 7.957 1.00 0.00 C ATOM 326 CD GLN A 19 12.304 5.427 8.011 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.027 5.711 7.048 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.780 4.898 9.103 1.00 0.00 N ATOM 0 H GLN A 19 8.979 4.997 6.161 1.00 0.00 H new ATOM 0 HA GLN A 19 8.455 7.175 7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.839 6.603 6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.827 7.702 7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.433 5.838 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.326 4.715 7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.154 4.677 9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.778 4.705 9.183 1.00 0.00 H new ATOM 337 N LEU A 20 8.662 7.836 4.627 1.00 0.00 N ATOM 338 CA LEU A 20 8.421 8.837 3.603 1.00 0.00 C ATOM 339 C LEU A 20 6.957 9.257 3.576 1.00 0.00 C ATOM 340 O LEU A 20 6.658 10.451 3.530 1.00 0.00 O ATOM 341 CB LEU A 20 8.883 8.355 2.222 1.00 0.00 C ATOM 342 CG LEU A 20 10.386 8.085 2.071 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.696 7.566 0.683 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.195 9.346 2.357 1.00 0.00 C ATOM 0 H LEU A 20 8.867 6.907 4.260 1.00 0.00 H new ATOM 0 HA LEU A 20 9.016 9.714 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.344 7.439 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.592 9.101 1.483 1.00 0.00 H new ATOM 0 HG LEU A 20 10.668 7.324 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.766 7.380 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.151 6.638 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.394 8.306 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.257 9.130 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.907 10.130 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.999 9.681 3.376 1.00 0.00 H new ATOM 356 N VAL A 21 6.042 8.289 3.599 1.00 0.00 N ATOM 357 CA VAL A 21 4.621 8.623 3.688 1.00 0.00 C ATOM 358 C VAL A 21 4.336 9.363 5.009 1.00 0.00 C ATOM 359 O VAL A 21 3.622 10.339 5.031 1.00 0.00 O ATOM 360 CB VAL A 21 3.721 7.365 3.607 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.245 7.744 3.512 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.123 6.503 2.440 1.00 0.00 C ATOM 0 H VAL A 21 6.251 7.291 3.558 1.00 0.00 H new ATOM 0 HA VAL A 21 4.386 9.263 2.838 1.00 0.00 H new ATOM 0 HB VAL A 21 3.860 6.794 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.640 6.839 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.959 8.318 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.081 8.346 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.480 5.624 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.021 7.071 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.160 6.189 2.560 1.00 0.00 H new ATOM 372 N ALA A 22 4.945 8.901 6.085 1.00 0.00 N ATOM 373 CA ALA A 22 4.775 9.473 7.413 1.00 0.00 C ATOM 374 C ALA A 22 5.155 10.946 7.448 1.00 0.00 C ATOM 375 O ALA A 22 4.359 11.795 7.868 1.00 0.00 O ATOM 376 CB ALA A 22 5.600 8.701 8.425 1.00 0.00 C ATOM 0 H ALA A 22 5.582 8.105 6.063 1.00 0.00 H new ATOM 0 HA ALA A 22 3.719 9.396 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.465 9.138 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.276 7.660 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.653 8.749 8.148 1.00 0.00 H new ATOM 382 N ARG A 23 6.345 11.250 6.957 1.00 0.00 N ATOM 383 CA ARG A 23 6.887 12.614 6.959 1.00 0.00 C ATOM 384 C ARG A 23 6.075 13.566 6.079 1.00 0.00 C ATOM 385 O ARG A 23 6.218 14.788 6.185 1.00 0.00 O ATOM 386 CB ARG A 23 8.359 12.633 6.566 1.00 0.00 C ATOM 387 CG ARG A 23 8.637 12.172 5.153 1.00 0.00 C ATOM 388 CD ARG A 23 10.112 12.186 4.863 1.00 0.00 C ATOM 389 NE ARG A 23 10.665 13.523 5.028 1.00 0.00 N ATOM 390 CZ ARG A 23 11.803 13.806 5.653 1.00 0.00 C ATOM 391 NH1 ARG A 23 12.537 12.828 6.185 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.199 15.067 5.771 1.00 0.00 N ATOM 0 H ARG A 23 6.971 10.560 6.542 1.00 0.00 H new ATOM 0 HA ARG A 23 6.806 12.976 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.741 13.647 6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.915 11.999 7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.244 11.165 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.118 12.819 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.624 11.492 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.289 11.839 3.845 1.00 0.00 H new ATOM 0 HE ARG A 23 10.138 14.302 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.225 11.859 6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.410 13.048 6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.630 15.819 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.072 15.284 6.251 1.00 0.00 H new ATOM 406 N HIS A 24 5.279 12.990 5.176 1.00 0.00 N ATOM 407 CA HIS A 24 4.380 13.742 4.312 1.00 0.00 C ATOM 408 C HIS A 24 3.376 14.577 5.143 1.00 0.00 C ATOM 409 O HIS A 24 2.951 15.652 4.715 1.00 0.00 O ATOM 410 CB HIS A 24 3.630 12.778 3.344 1.00 0.00 C ATOM 411 CG HIS A 24 2.564 13.437 2.504 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.226 13.505 2.854 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.670 14.101 1.337 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.591 14.203 1.909 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.423 14.590 0.963 1.00 0.00 N ATOM 0 H HIS A 24 5.243 11.982 5.026 1.00 0.00 H new ATOM 0 HA HIS A 24 4.977 14.435 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.358 12.310 2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.172 11.980 3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.584 14.233 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.467 14.422 1.919 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.199 15.135 0.130 1.00 0.00 H new ATOM 423 N GLY A 25 3.011 14.090 6.320 1.00 0.00 N ATOM 424 CA GLY A 25 2.072 14.841 7.134 1.00 0.00 C ATOM 425 C GLY A 25 1.271 13.990 8.089 1.00 0.00 C ATOM 426 O GLY A 25 0.417 14.498 8.809 1.00 0.00 O ATOM 0 H GLY A 25 3.337 13.211 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.620 15.591 7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.386 15.377 6.478 1.00 0.00 H new ATOM 430 N LEU A 26 1.518 12.698 8.078 1.00 0.00 N ATOM 431 CA LEU A 26 0.859 11.778 8.968 1.00 0.00 C ATOM 432 C LEU A 26 1.237 12.017 10.418 1.00 0.00 C ATOM 433 O LEU A 26 2.246 12.665 10.727 1.00 0.00 O ATOM 434 CB LEU A 26 1.211 10.346 8.593 1.00 0.00 C ATOM 435 CG LEU A 26 0.509 9.744 7.372 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.803 10.483 6.084 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.831 8.271 7.251 1.00 0.00 C ATOM 0 H LEU A 26 2.186 12.258 7.446 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.213 11.943 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.286 10.297 8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.997 9.710 9.452 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.562 9.859 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.274 10.003 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.472 11.518 6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.875 10.461 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.324 7.858 6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.908 8.142 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.493 7.750 8.147 1.00 0.00 H new ATOM 449 N ASP A 27 0.433 11.496 11.295 1.00 0.00 N ATOM 450 CA ASP A 27 0.688 11.580 12.716 1.00 0.00 C ATOM 451 C ASP A 27 1.115 10.211 13.169 1.00 0.00 C ATOM 452 O ASP A 27 1.062 9.269 12.373 1.00 0.00 O ATOM 453 CB ASP A 27 -0.562 12.001 13.495 1.00 0.00 C ATOM 454 CG ASP A 27 -1.188 13.283 13.006 1.00 0.00 C ATOM 455 OD1 ASP A 27 -0.650 14.377 13.268 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.238 13.215 12.344 1.00 0.00 O ATOM 0 H ASP A 27 -0.423 10.997 11.053 1.00 0.00 H new ATOM 0 HA ASP A 27 1.455 12.331 12.903 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.301 11.202 13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.301 12.115 14.547 1.00 0.00 H new ATOM 461 N HIS A 28 1.493 10.078 14.427 1.00 0.00 N ATOM 462 CA HIS A 28 1.980 8.800 14.976 1.00 0.00 C ATOM 463 C HIS A 28 0.993 7.650 14.751 1.00 0.00 C ATOM 464 O HIS A 28 1.370 6.583 14.259 1.00 0.00 O ATOM 465 CB HIS A 28 2.359 8.922 16.473 1.00 0.00 C ATOM 466 CG HIS A 28 1.253 9.305 17.427 1.00 0.00 C ATOM 467 ND1 HIS A 28 0.744 8.456 18.384 1.00 0.00 N ATOM 468 CD2 HIS A 28 0.590 10.476 17.581 1.00 0.00 C ATOM 469 CE1 HIS A 28 -0.185 9.110 19.070 1.00 0.00 C ATOM 470 NE2 HIS A 28 -0.323 10.347 18.624 1.00 0.00 N ATOM 0 H HIS A 28 1.476 10.841 15.104 1.00 0.00 H new ATOM 0 HA HIS A 28 2.886 8.557 14.421 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.772 7.967 16.798 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.156 9.661 16.563 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.745 11.366 16.990 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -0.753 8.687 19.885 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.965 11.059 18.972 1.00 0.00 H new ATOM 478 N ASP A 29 -0.263 7.906 15.064 1.00 0.00 N ATOM 479 CA ASP A 29 -1.351 6.936 14.893 1.00 0.00 C ATOM 480 C ASP A 29 -1.458 6.509 13.438 1.00 0.00 C ATOM 481 O ASP A 29 -1.642 5.335 13.137 1.00 0.00 O ATOM 482 CB ASP A 29 -2.705 7.515 15.370 1.00 0.00 C ATOM 483 CG ASP A 29 -3.199 8.695 14.542 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.628 9.796 14.669 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.153 8.540 13.742 1.00 0.00 O ATOM 0 H ASP A 29 -0.570 8.800 15.449 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.116 6.067 15.507 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.456 6.725 15.343 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.609 7.828 16.410 1.00 0.00 H new ATOM 490 N LYS A 30 -1.267 7.458 12.550 1.00 0.00 N ATOM 491 CA LYS A 30 -1.360 7.226 11.127 1.00 0.00 C ATOM 492 C LYS A 30 -0.237 6.343 10.632 1.00 0.00 C ATOM 493 O LYS A 30 -0.460 5.475 9.805 1.00 0.00 O ATOM 494 CB LYS A 30 -1.384 8.539 10.353 1.00 0.00 C ATOM 495 CG LYS A 30 -2.614 9.402 10.584 1.00 0.00 C ATOM 496 CD LYS A 30 -3.892 8.663 10.217 1.00 0.00 C ATOM 497 CE LYS A 30 -5.129 9.527 10.419 1.00 0.00 C ATOM 498 NZ LYS A 30 -5.216 10.059 11.794 1.00 0.00 N ATOM 0 H LYS A 30 -1.041 8.421 12.798 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.301 6.705 10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.499 9.116 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.310 8.317 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.656 9.705 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.537 10.313 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.839 8.343 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.976 7.762 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.112 10.355 9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.021 8.939 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.214 10.200 12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.781 9.384 12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.714 10.968 11.847 1.00 0.00 H new ATOM 512 N VAL A 31 0.956 6.552 11.157 1.00 0.00 N ATOM 513 CA VAL A 31 2.111 5.764 10.776 1.00 0.00 C ATOM 514 C VAL A 31 1.888 4.313 11.198 1.00 0.00 C ATOM 515 O VAL A 31 2.161 3.385 10.437 1.00 0.00 O ATOM 516 CB VAL A 31 3.407 6.317 11.425 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.635 5.552 10.954 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.552 7.799 11.133 1.00 0.00 C ATOM 0 H VAL A 31 1.150 7.269 11.856 1.00 0.00 H new ATOM 0 HA VAL A 31 2.233 5.820 9.694 1.00 0.00 H new ATOM 0 HB VAL A 31 3.328 6.179 12.503 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.525 5.965 11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.535 4.501 11.225 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.726 5.641 9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.466 8.173 11.595 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.600 7.954 10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.694 8.335 11.539 1.00 0.00 H new ATOM 528 N LEU A 32 1.345 4.142 12.393 1.00 0.00 N ATOM 529 CA LEU A 32 1.005 2.828 12.933 1.00 0.00 C ATOM 530 C LEU A 32 -0.023 2.143 12.060 1.00 0.00 C ATOM 531 O LEU A 32 0.179 1.012 11.633 1.00 0.00 O ATOM 532 CB LEU A 32 0.470 2.967 14.352 1.00 0.00 C ATOM 533 CG LEU A 32 1.420 3.614 15.356 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.755 3.724 16.701 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.724 2.831 15.461 1.00 0.00 C ATOM 0 H LEU A 32 1.125 4.914 13.022 1.00 0.00 H new ATOM 0 HA LEU A 32 1.909 2.219 12.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.448 3.553 14.319 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.203 1.976 14.719 1.00 0.00 H new ATOM 0 HG LEU A 32 1.663 4.616 15.002 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.442 4.187 17.410 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.143 4.335 16.614 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.484 2.729 17.055 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.382 3.315 16.183 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.512 1.813 15.788 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.212 2.805 14.487 1.00 0.00 H new ATOM 547 N LEU A 33 -1.100 2.855 11.766 1.00 0.00 N ATOM 548 CA LEU A 33 -2.177 2.341 10.929 1.00 0.00 C ATOM 549 C LEU A 33 -1.668 1.979 9.541 1.00 0.00 C ATOM 550 O LEU A 33 -1.941 0.890 9.040 1.00 0.00 O ATOM 551 CB LEU A 33 -3.310 3.365 10.823 1.00 0.00 C ATOM 552 CG LEU A 33 -4.042 3.704 12.123 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.031 4.836 11.900 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.750 2.475 12.668 1.00 0.00 C ATOM 0 H LEU A 33 -1.254 3.806 12.100 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.562 1.436 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.900 4.287 10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.041 2.993 10.106 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.307 4.033 12.858 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.542 5.063 12.836 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.498 5.722 11.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.763 4.537 11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.266 2.733 13.593 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.474 2.118 11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.018 1.692 12.867 1.00 0.00 H new ATOM 566 N PHE A 34 -0.894 2.873 8.954 1.00 0.00 N ATOM 567 CA PHE A 34 -0.346 2.663 7.634 1.00 0.00 C ATOM 568 C PHE A 34 0.571 1.447 7.609 1.00 0.00 C ATOM 569 O PHE A 34 0.378 0.546 6.811 1.00 0.00 O ATOM 570 CB PHE A 34 0.402 3.921 7.150 1.00 0.00 C ATOM 571 CG PHE A 34 1.001 3.790 5.775 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.187 3.753 4.662 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.370 3.682 5.599 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.721 3.624 3.400 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.905 3.550 4.336 1.00 0.00 C ATOM 576 CZ PHE A 34 2.077 3.518 3.241 1.00 0.00 C ATOM 0 H PHE A 34 -0.630 3.761 9.380 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.174 2.472 6.952 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.288 4.765 7.155 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.196 4.154 7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.884 3.826 4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.024 3.701 6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.072 3.606 2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.974 3.472 4.207 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.496 3.409 2.252 1.00 0.00 H new ATOM 586 N SER A 35 1.525 1.400 8.521 1.00 0.00 N ATOM 587 CA SER A 35 2.502 0.327 8.549 1.00 0.00 C ATOM 588 C SER A 35 1.873 -1.053 8.795 1.00 0.00 C ATOM 589 O SER A 35 2.281 -2.046 8.179 1.00 0.00 O ATOM 590 CB SER A 35 3.617 0.634 9.558 1.00 0.00 C ATOM 591 OG SER A 35 3.104 0.929 10.851 1.00 0.00 O ATOM 0 H SER A 35 1.644 2.097 9.256 1.00 0.00 H new ATOM 0 HA SER A 35 2.946 0.276 7.555 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.292 -0.220 9.623 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.206 1.479 9.201 1.00 0.00 H new ATOM 0 HG SER A 35 2.951 1.894 10.930 1.00 0.00 H new ATOM 597 N ARG A 36 0.876 -1.118 9.658 1.00 0.00 N ATOM 598 CA ARG A 36 0.232 -2.388 9.946 1.00 0.00 C ATOM 599 C ARG A 36 -0.643 -2.852 8.781 1.00 0.00 C ATOM 600 O ARG A 36 -0.660 -4.042 8.447 1.00 0.00 O ATOM 601 CB ARG A 36 -0.556 -2.341 11.264 1.00 0.00 C ATOM 602 CG ARG A 36 -1.704 -1.358 11.283 1.00 0.00 C ATOM 603 CD ARG A 36 -2.332 -1.265 12.649 1.00 0.00 C ATOM 604 NE ARG A 36 -2.903 -2.549 13.078 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.877 -2.689 13.977 1.00 0.00 C ATOM 606 NH1 ARG A 36 -4.332 -1.630 14.651 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.373 -3.895 14.226 1.00 0.00 N ATOM 0 H ARG A 36 0.498 -0.319 10.166 1.00 0.00 H new ATOM 0 HA ARG A 36 1.022 -3.128 10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.946 -3.337 11.473 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.131 -2.091 12.073 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.346 -0.374 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.457 -1.663 10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.583 -0.941 13.372 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.114 -0.505 12.638 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.525 -3.397 12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.934 -0.707 14.479 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.078 -1.744 15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.009 -4.709 13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.118 -4.008 14.913 1.00 0.00 H new ATOM 621 N ASP A 37 -1.325 -1.911 8.126 1.00 0.00 N ATOM 622 CA ASP A 37 -2.196 -2.254 6.998 1.00 0.00 C ATOM 623 C ASP A 37 -1.346 -2.665 5.822 1.00 0.00 C ATOM 624 O ASP A 37 -1.650 -3.636 5.119 1.00 0.00 O ATOM 625 CB ASP A 37 -3.081 -1.071 6.596 1.00 0.00 C ATOM 626 CG ASP A 37 -4.188 -1.476 5.638 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.158 -2.134 6.096 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.134 -1.161 4.440 1.00 0.00 O ATOM 0 H ASP A 37 -1.293 -0.917 8.352 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.845 -3.075 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.521 -0.630 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.465 -0.301 6.131 1.00 0.00 H new ATOM 633 N LEU A 38 -0.257 -1.934 5.649 1.00 0.00 N ATOM 634 CA LEU A 38 0.716 -2.169 4.603 1.00 0.00 C ATOM 635 C LEU A 38 1.371 -3.518 4.760 1.00 0.00 C ATOM 636 O LEU A 38 1.543 -4.242 3.780 1.00 0.00 O ATOM 637 CB LEU A 38 1.759 -1.046 4.617 1.00 0.00 C ATOM 638 CG LEU A 38 2.956 -1.148 3.674 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.527 -1.457 2.265 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.682 0.161 3.680 1.00 0.00 C ATOM 0 H LEU A 38 -0.022 -1.143 6.248 1.00 0.00 H new ATOM 0 HA LEU A 38 0.206 -2.169 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.243 -0.112 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.144 -0.965 5.633 1.00 0.00 H new ATOM 0 HG LEU A 38 3.598 -1.958 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.406 -1.522 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.994 -2.407 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.871 -0.666 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.540 0.104 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.011 0.951 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.024 0.383 4.691 1.00 0.00 H new ATOM 652 N ASP A 39 1.716 -3.865 5.986 1.00 0.00 N ATOM 653 CA ASP A 39 2.336 -5.148 6.248 1.00 0.00 C ATOM 654 C ASP A 39 1.386 -6.259 5.849 1.00 0.00 C ATOM 655 O ASP A 39 1.775 -7.182 5.155 1.00 0.00 O ATOM 656 CB ASP A 39 2.742 -5.289 7.710 1.00 0.00 C ATOM 657 CG ASP A 39 3.578 -6.522 7.949 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.780 -6.501 7.609 1.00 0.00 O ATOM 659 OD2 ASP A 39 3.068 -7.515 8.501 1.00 0.00 O ATOM 0 H ASP A 39 1.578 -3.280 6.810 1.00 0.00 H new ATOM 0 HA ASP A 39 3.247 -5.217 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.302 -4.406 8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.848 -5.331 8.332 1.00 0.00 H new ATOM 664 N LYS A 40 0.114 -6.111 6.221 1.00 0.00 N ATOM 665 CA LYS A 40 -0.908 -7.090 5.862 1.00 0.00 C ATOM 666 C LYS A 40 -1.117 -7.156 4.354 1.00 0.00 C ATOM 667 O LYS A 40 -1.328 -8.230 3.808 1.00 0.00 O ATOM 668 CB LYS A 40 -2.239 -6.795 6.539 1.00 0.00 C ATOM 669 CG LYS A 40 -2.240 -6.955 8.043 1.00 0.00 C ATOM 670 CD LYS A 40 -3.630 -6.713 8.604 1.00 0.00 C ATOM 671 CE LYS A 40 -3.673 -6.879 10.112 1.00 0.00 C ATOM 672 NZ LYS A 40 -3.261 -8.235 10.539 1.00 0.00 N ATOM 0 H LYS A 40 -0.231 -5.323 6.770 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.542 -8.055 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.534 -5.774 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.998 -7.455 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.904 -7.958 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.534 -6.254 8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.957 -5.707 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.333 -7.407 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.019 -6.140 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.683 -6.679 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.512 -8.375 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.748 -8.945 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.233 -8.338 10.423 1.00 0.00 H new ATOM 686 N LEU A 41 -1.064 -6.008 3.695 1.00 0.00 N ATOM 687 CA LEU A 41 -1.219 -5.938 2.253 1.00 0.00 C ATOM 688 C LEU A 41 -0.087 -6.695 1.568 1.00 0.00 C ATOM 689 O LEU A 41 -0.308 -7.449 0.616 1.00 0.00 O ATOM 690 CB LEU A 41 -1.292 -4.470 1.781 1.00 0.00 C ATOM 691 CG LEU A 41 -1.394 -4.230 0.265 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.542 -5.014 -0.339 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.600 -2.758 -0.005 1.00 0.00 C ATOM 0 H LEU A 41 -0.913 -5.104 4.143 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.159 -6.414 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.154 -4.003 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.406 -3.951 2.148 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.465 -4.568 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.588 -4.824 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.386 -6.079 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.478 -4.704 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.672 -2.592 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.520 -2.425 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.757 -2.193 0.394 1.00 0.00 H new ATOM 705 N ILE A 42 1.102 -6.536 2.083 1.00 0.00 N ATOM 706 CA ILE A 42 2.244 -7.241 1.555 1.00 0.00 C ATOM 707 C ILE A 42 2.137 -8.732 1.872 1.00 0.00 C ATOM 708 O ILE A 42 2.291 -9.567 0.983 1.00 0.00 O ATOM 709 CB ILE A 42 3.589 -6.632 2.043 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.732 -5.208 1.483 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.778 -7.499 1.631 1.00 0.00 C ATOM 712 CD1 ILE A 42 5.017 -4.506 1.850 1.00 0.00 C ATOM 0 H ILE A 42 1.308 -5.922 2.871 1.00 0.00 H new ATOM 0 HA ILE A 42 2.240 -7.125 0.471 1.00 0.00 H new ATOM 0 HB ILE A 42 3.582 -6.595 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.656 -5.251 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.894 -4.608 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.702 -7.044 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.672 -8.493 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.810 -7.580 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.026 -3.509 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.090 -4.424 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.865 -5.077 1.471 1.00 0.00 H new ATOM 724 N ASN A 43 1.777 -9.060 3.116 1.00 0.00 N ATOM 725 CA ASN A 43 1.608 -10.469 3.554 1.00 0.00 C ATOM 726 C ASN A 43 0.556 -11.171 2.729 1.00 0.00 C ATOM 727 O ASN A 43 0.598 -12.381 2.558 1.00 0.00 O ATOM 728 CB ASN A 43 1.213 -10.600 5.035 1.00 0.00 C ATOM 729 CG ASN A 43 2.228 -10.042 6.000 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.423 -10.033 5.728 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.764 -9.600 7.140 1.00 0.00 N ATOM 0 H ASN A 43 1.594 -8.374 3.848 1.00 0.00 H new ATOM 0 HA ASN A 43 2.584 -10.933 3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.262 -10.091 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.052 -11.653 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.405 -9.230 7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.762 -9.625 7.327 1.00 0.00 H new ATOM 738 N LYS A 44 -0.395 -10.404 2.250 1.00 0.00 N ATOM 739 CA LYS A 44 -1.482 -10.890 1.429 1.00 0.00 C ATOM 740 C LYS A 44 -0.976 -11.364 0.071 1.00 0.00 C ATOM 741 O LYS A 44 -1.283 -12.477 -0.364 1.00 0.00 O ATOM 742 CB LYS A 44 -2.498 -9.764 1.247 1.00 0.00 C ATOM 743 CG LYS A 44 -3.724 -10.121 0.433 1.00 0.00 C ATOM 744 CD LYS A 44 -4.657 -8.935 0.281 1.00 0.00 C ATOM 745 CE LYS A 44 -5.134 -8.416 1.631 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.839 -9.454 2.440 1.00 0.00 N ATOM 0 H LYS A 44 -0.436 -9.400 2.424 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.949 -11.742 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.822 -9.427 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.999 -8.921 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.418 -10.473 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.254 -10.943 0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.145 -8.136 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.518 -9.224 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.278 -8.044 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.803 -7.570 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.243 -9.015 3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.602 -9.877 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.164 -10.194 2.719 1.00 0.00 H new ATOM 760 N PHE A 45 -0.190 -10.534 -0.577 1.00 0.00 N ATOM 761 CA PHE A 45 0.343 -10.857 -1.891 1.00 0.00 C ATOM 762 C PHE A 45 1.493 -11.836 -1.811 1.00 0.00 C ATOM 763 O PHE A 45 1.661 -12.684 -2.681 1.00 0.00 O ATOM 764 CB PHE A 45 0.728 -9.595 -2.657 1.00 0.00 C ATOM 765 CG PHE A 45 -0.454 -8.875 -3.244 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.248 -8.034 -2.474 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.767 -9.040 -4.581 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.325 -7.377 -3.034 1.00 0.00 C ATOM 769 CE2 PHE A 45 -1.842 -8.389 -5.142 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.620 -7.555 -4.368 1.00 0.00 C ATOM 0 H PHE A 45 0.098 -9.624 -0.217 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.452 -11.351 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.261 -8.920 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.418 -9.860 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.020 -7.893 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.159 -9.689 -5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.935 -6.724 -2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.076 -8.531 -6.187 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.462 -7.041 -4.808 1.00 0.00 H new ATOM 780 N MET A 46 2.254 -11.737 -0.756 1.00 0.00 N ATOM 781 CA MET A 46 3.373 -12.638 -0.517 1.00 0.00 C ATOM 782 C MET A 46 2.851 -14.000 -0.109 1.00 0.00 C ATOM 783 O MET A 46 3.441 -15.034 -0.416 1.00 0.00 O ATOM 784 CB MET A 46 4.237 -12.095 0.626 1.00 0.00 C ATOM 785 CG MET A 46 5.019 -10.832 0.310 1.00 0.00 C ATOM 786 SD MET A 46 6.450 -11.117 -0.727 1.00 0.00 S ATOM 787 CE MET A 46 7.473 -12.082 0.390 1.00 0.00 C ATOM 0 H MET A 46 2.124 -11.032 -0.030 1.00 0.00 H new ATOM 0 HA MET A 46 3.962 -12.717 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.593 -11.898 1.483 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.940 -12.871 0.927 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.358 -10.120 -0.184 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.343 -10.372 1.244 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.519 -11.985 0.100 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.343 -11.717 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.178 -13.130 0.340 1.00 0.00 H new ATOM 797 N ASN A 47 1.715 -13.975 0.549 1.00 0.00 N ATOM 798 CA ASN A 47 1.127 -15.126 1.199 1.00 0.00 C ATOM 799 C ASN A 47 2.075 -15.606 2.272 1.00 0.00 C ATOM 800 O ASN A 47 2.727 -16.640 2.160 1.00 0.00 O ATOM 801 CB ASN A 47 0.700 -16.263 0.239 1.00 0.00 C ATOM 802 CG ASN A 47 0.036 -17.429 0.975 1.00 0.00 C ATOM 803 OD1 ASN A 47 -0.586 -17.246 2.026 1.00 0.00 O ATOM 804 ND2 ASN A 47 0.162 -18.623 0.438 1.00 0.00 N ATOM 0 H ASN A 47 1.157 -13.127 0.650 1.00 0.00 H new ATOM 0 HA ASN A 47 0.185 -14.807 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.010 -15.866 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.575 -16.628 -0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.261 -19.433 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.683 -18.739 -0.431 1.00 0.00 H new ATOM 811 N VAL A 48 2.230 -14.769 3.255 1.00 0.00 N ATOM 812 CA VAL A 48 3.068 -15.059 4.381 1.00 0.00 C ATOM 813 C VAL A 48 2.260 -15.848 5.313 1.00 0.00 C ATOM 814 O VAL A 48 1.171 -15.429 5.725 1.00 0.00 O ATOM 815 CB VAL A 48 3.601 -13.783 5.090 1.00 0.00 C ATOM 816 CG1 VAL A 48 4.458 -14.140 6.307 1.00 0.00 C ATOM 817 CG2 VAL A 48 4.406 -12.931 4.127 1.00 0.00 C ATOM 0 H VAL A 48 1.774 -13.858 3.298 1.00 0.00 H new ATOM 0 HA VAL A 48 3.951 -15.598 4.039 1.00 0.00 H new ATOM 0 HB VAL A 48 2.737 -13.213 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.816 -13.226 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.860 -14.708 7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.310 -14.741 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.770 -12.043 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.253 -13.506 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.774 -12.631 3.291 1.00 0.00 H new ATOM 827 N LYS A 49 2.712 -16.999 5.577 1.00 0.00 N ATOM 828 CA LYS A 49 2.024 -17.842 6.435 1.00 0.00 C ATOM 829 C LYS A 49 2.787 -18.013 7.677 1.00 0.00 C ATOM 830 O LYS A 49 3.910 -18.534 7.659 1.00 0.00 O ATOM 831 CB LYS A 49 1.764 -19.198 5.806 1.00 0.00 C ATOM 832 CG LYS A 49 0.892 -19.158 4.565 1.00 0.00 C ATOM 833 CD LYS A 49 0.601 -20.561 4.050 1.00 0.00 C ATOM 834 CE LYS A 49 -0.161 -21.414 5.084 1.00 0.00 C ATOM 835 NZ LYS A 49 -1.473 -20.820 5.453 1.00 0.00 N ATOM 0 H LYS A 49 3.578 -17.382 5.198 1.00 0.00 H new ATOM 0 HA LYS A 49 1.059 -17.383 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.720 -19.655 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.291 -19.843 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.045 -18.650 4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.389 -18.578 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.015 -20.495 3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.539 -21.054 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.319 -22.414 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.449 -21.525 5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.139 -21.578 5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.350 -20.184 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.850 -20.282 4.647 1.00 0.00 H new ATOM 849 N ASP A 50 2.249 -17.479 8.741 1.00 0.00 N ATOM 850 CA ASP A 50 2.755 -17.818 10.050 1.00 0.00 C ATOM 851 C ASP A 50 2.531 -19.299 10.151 1.00 0.00 C ATOM 852 O ASP A 50 1.395 -19.761 10.026 1.00 0.00 O ATOM 853 CB ASP A 50 2.032 -17.091 11.176 1.00 0.00 C ATOM 854 CG ASP A 50 2.659 -17.401 12.519 1.00 0.00 C ATOM 855 OD1 ASP A 50 3.703 -16.799 12.846 1.00 0.00 O ATOM 856 OD2 ASP A 50 2.145 -18.261 13.251 1.00 0.00 O ATOM 0 H ASP A 50 1.473 -16.818 8.732 1.00 0.00 H new ATOM 0 HA ASP A 50 3.799 -17.524 10.157 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.062 -16.016 10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.982 -17.383 11.186 1.00 0.00 H new ATOM 861 N LYS A 51 3.590 -20.028 10.320 1.00 0.00 N ATOM 862 CA LYS A 51 3.605 -21.473 10.112 1.00 0.00 C ATOM 863 C LYS A 51 2.750 -22.375 11.015 1.00 0.00 C ATOM 864 O LYS A 51 2.874 -23.599 10.969 1.00 0.00 O ATOM 865 CB LYS A 51 5.018 -21.989 9.846 1.00 0.00 C ATOM 866 CG LYS A 51 6.086 -21.519 10.809 1.00 0.00 C ATOM 867 CD LYS A 51 7.443 -21.945 10.292 1.00 0.00 C ATOM 868 CE LYS A 51 8.575 -21.331 11.079 1.00 0.00 C ATOM 869 NZ LYS A 51 9.888 -21.708 10.519 1.00 0.00 N ATOM 0 H LYS A 51 4.490 -19.646 10.611 1.00 0.00 H new ATOM 0 HA LYS A 51 3.018 -21.579 9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.995 -23.079 9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.309 -21.692 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.047 -20.435 10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.912 -21.941 11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.521 -23.031 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.536 -21.660 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.475 -20.246 11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.515 -21.654 12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.644 -21.270 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.992 -22.742 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.954 -21.378 9.535 1.00 0.00 H new ATOM 883 N VAL A 52 1.861 -21.800 11.766 1.00 0.00 N ATOM 884 CA VAL A 52 0.894 -22.580 12.503 1.00 0.00 C ATOM 885 C VAL A 52 -0.489 -22.442 11.863 1.00 0.00 C ATOM 886 O VAL A 52 -1.420 -23.199 12.179 1.00 0.00 O ATOM 887 CB VAL A 52 0.829 -22.218 13.995 1.00 0.00 C ATOM 888 CG1 VAL A 52 2.152 -22.509 14.669 1.00 0.00 C ATOM 889 CG2 VAL A 52 0.430 -20.769 14.192 1.00 0.00 C ATOM 0 H VAL A 52 1.779 -20.791 11.890 1.00 0.00 H new ATOM 0 HA VAL A 52 1.225 -23.617 12.452 1.00 0.00 H new ATOM 0 HB VAL A 52 0.062 -22.838 14.459 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.088 -22.247 15.725 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.384 -23.570 14.572 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.938 -21.921 14.196 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.393 -20.544 15.258 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.162 -20.121 13.709 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.552 -20.599 13.751 1.00 0.00 H new ATOM 899 N HIS A 53 -0.613 -21.487 10.950 1.00 0.00 N ATOM 900 CA HIS A 53 -1.862 -21.249 10.264 1.00 0.00 C ATOM 901 C HIS A 53 -1.953 -22.174 9.075 1.00 0.00 C ATOM 902 O HIS A 53 -1.096 -22.139 8.179 1.00 0.00 O ATOM 903 CB HIS A 53 -2.011 -19.781 9.814 1.00 0.00 C ATOM 904 CG HIS A 53 -2.016 -18.773 10.931 1.00 0.00 C ATOM 905 ND1 HIS A 53 -1.444 -17.523 10.837 1.00 0.00 N ATOM 906 CD2 HIS A 53 -2.571 -18.833 12.168 1.00 0.00 C ATOM 907 CE1 HIS A 53 -1.659 -16.878 11.980 1.00 0.00 C ATOM 908 NE2 HIS A 53 -2.341 -17.627 12.830 1.00 0.00 N ATOM 0 H HIS A 53 0.146 -20.865 10.671 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.677 -21.449 10.960 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.196 -19.541 9.131 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.939 -19.681 9.250 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.105 -19.679 12.575 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.321 -15.873 12.187 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.637 -17.375 13.773 1.00 0.00 H new ATOM 916 N LYS A 54 -2.979 -22.979 9.067 1.00 0.00 N ATOM 917 CA LYS A 54 -3.185 -24.020 8.071 1.00 0.00 C ATOM 918 C LYS A 54 -3.654 -23.446 6.732 1.00 0.00 C ATOM 919 O LYS A 54 -3.628 -22.226 6.498 1.00 0.00 O ATOM 920 CB LYS A 54 -4.235 -25.015 8.583 1.00 0.00 C ATOM 921 CG LYS A 54 -3.921 -25.632 9.935 1.00 0.00 C ATOM 922 CD LYS A 54 -2.652 -26.454 9.909 1.00 0.00 C ATOM 923 CE LYS A 54 -2.364 -27.061 11.273 1.00 0.00 C ATOM 924 NZ LYS A 54 -2.120 -26.029 12.307 1.00 0.00 N ATOM 0 H LYS A 54 -3.720 -22.937 9.767 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.229 -24.518 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.197 -24.506 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.345 -25.815 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.824 -24.841 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.754 -26.263 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.744 -27.247 9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.815 -25.827 9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.206 -27.684 11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.494 -27.713 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.322 -26.321 12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.895 -25.124 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.971 -25.917 12.894 1.00 0.00 H new ATOM 938 N LEU A 55 -4.038 -24.329 5.854 1.00 0.00 N ATOM 939 CA LEU A 55 -4.567 -23.999 4.592 1.00 0.00 C ATOM 940 C LEU A 55 -6.067 -23.886 4.722 1.00 0.00 C ATOM 941 O LEU A 55 -6.769 -24.893 4.873 1.00 0.00 O ATOM 942 CB LEU A 55 -4.195 -25.096 3.620 1.00 0.00 C ATOM 943 CG LEU A 55 -4.878 -25.080 2.274 1.00 0.00 C ATOM 944 CD1 LEU A 55 -4.436 -23.899 1.437 1.00 0.00 C ATOM 945 CD2 LEU A 55 -4.671 -26.391 1.539 1.00 0.00 C ATOM 0 H LEU A 55 -3.982 -25.334 6.019 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.169 -23.052 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.119 -25.051 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.404 -26.055 4.095 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.947 -24.965 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.949 -23.922 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.681 -22.973 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.359 -23.951 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.174 -26.350 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.605 -26.558 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.085 -27.208 2.129 1.00 0.00 H new ATOM 957 N GLU A 56 -6.537 -22.685 4.707 1.00 0.00 N ATOM 958 CA GLU A 56 -7.961 -22.425 4.850 1.00 0.00 C ATOM 959 C GLU A 56 -8.298 -21.003 4.391 1.00 0.00 C ATOM 960 O GLU A 56 -9.286 -20.780 3.694 1.00 0.00 O ATOM 961 CB GLU A 56 -8.399 -22.616 6.308 1.00 0.00 C ATOM 962 CG GLU A 56 -9.895 -22.716 6.480 1.00 0.00 C ATOM 963 CD GLU A 56 -10.443 -23.943 5.805 1.00 0.00 C ATOM 964 OE1 GLU A 56 -10.715 -23.907 4.586 1.00 0.00 O ATOM 965 OE2 GLU A 56 -10.608 -24.974 6.478 1.00 0.00 O ATOM 0 H GLU A 56 -5.963 -21.849 4.597 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.499 -23.135 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.935 -23.520 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.028 -21.781 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.140 -22.743 7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.371 -21.827 6.065 1.00 0.00 H new ATOM 972 N HIS A 57 -7.448 -20.063 4.771 1.00 0.00 N ATOM 973 CA HIS A 57 -7.614 -18.626 4.457 1.00 0.00 C ATOM 974 C HIS A 57 -7.846 -18.331 2.956 1.00 0.00 C ATOM 975 O HIS A 57 -8.620 -17.440 2.616 1.00 0.00 O ATOM 976 CB HIS A 57 -6.402 -17.807 4.966 1.00 0.00 C ATOM 977 CG HIS A 57 -5.086 -18.201 4.348 1.00 0.00 C ATOM 978 ND1 HIS A 57 -4.529 -17.568 3.261 1.00 0.00 N ATOM 979 CD2 HIS A 57 -4.238 -19.203 4.671 1.00 0.00 C ATOM 980 CE1 HIS A 57 -3.395 -18.190 2.956 1.00 0.00 C ATOM 981 NE2 HIS A 57 -3.167 -19.196 3.787 1.00 0.00 N ATOM 0 H HIS A 57 -6.608 -20.264 5.314 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.520 -18.320 4.980 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.582 -16.751 4.767 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.331 -17.919 6.048 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.919 -16.761 2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.372 -19.898 5.487 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.746 -17.912 2.139 1.00 0.00 H new ATOM 989 N HIS A 58 -7.226 -19.106 2.069 1.00 0.00 N ATOM 990 CA HIS A 58 -7.312 -18.820 0.644 1.00 0.00 C ATOM 991 C HIS A 58 -8.571 -19.469 0.050 1.00 0.00 C ATOM 992 O HIS A 58 -8.930 -19.239 -1.109 1.00 0.00 O ATOM 993 CB HIS A 58 -6.023 -19.256 -0.092 1.00 0.00 C ATOM 994 CG HIS A 58 -5.909 -18.742 -1.512 1.00 0.00 C ATOM 995 ND1 HIS A 58 -5.989 -19.535 -2.644 1.00 0.00 N ATOM 996 CD2 HIS A 58 -5.688 -17.477 -1.963 1.00 0.00 C ATOM 997 CE1 HIS A 58 -5.817 -18.751 -3.713 1.00 0.00 C ATOM 998 NE2 HIS A 58 -5.631 -17.484 -3.354 1.00 0.00 N ATOM 0 H HIS A 58 -6.667 -19.925 2.309 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.399 -17.742 0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.160 -18.910 0.477 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -5.979 -20.345 -0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.574 -16.603 -1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.828 -19.101 -4.735 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -5.479 -16.685 -3.969 1.00 0.00 H new ATOM 1006 N HIS A 59 -9.238 -20.284 0.849 1.00 0.00 N ATOM 1007 CA HIS A 59 -10.526 -20.824 0.459 1.00 0.00 C ATOM 1008 C HIS A 59 -11.552 -19.776 0.761 1.00 0.00 C ATOM 1009 O HIS A 59 -12.617 -19.735 0.144 1.00 0.00 O ATOM 1010 CB HIS A 59 -10.906 -22.106 1.232 1.00 0.00 C ATOM 1011 CG HIS A 59 -9.985 -23.266 1.047 1.00 0.00 C ATOM 1012 ND1 HIS A 59 -9.541 -24.060 2.082 1.00 0.00 N ATOM 1013 CD2 HIS A 59 -9.440 -23.780 -0.075 1.00 0.00 C ATOM 1014 CE1 HIS A 59 -8.752 -25.005 1.571 1.00 0.00 C ATOM 1015 NE2 HIS A 59 -8.654 -24.880 0.259 1.00 0.00 N ATOM 0 H HIS A 59 -8.910 -20.584 1.767 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.479 -21.088 -0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -10.953 -21.868 2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -11.908 -22.408 0.929 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -9.775 -23.945 3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -9.590 -23.399 -1.074 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.259 -25.771 2.152 1.00 0.00 H new ATOM 1023 N HIS A 60 -11.190 -18.902 1.719 1.00 0.00 N ATOM 1024 CA HIS A 60 -12.026 -17.815 2.233 1.00 0.00 C ATOM 1025 C HIS A 60 -13.166 -18.407 3.055 1.00 0.00 C ATOM 1026 O HIS A 60 -13.172 -18.329 4.283 1.00 0.00 O ATOM 1027 CB HIS A 60 -12.537 -16.893 1.097 1.00 0.00 C ATOM 1028 CG HIS A 60 -11.444 -16.243 0.294 1.00 0.00 C ATOM 1029 ND1 HIS A 60 -11.129 -16.579 -1.014 1.00 0.00 N ATOM 1030 CD2 HIS A 60 -10.592 -15.253 0.637 1.00 0.00 C ATOM 1031 CE1 HIS A 60 -10.121 -15.802 -1.408 1.00 0.00 C ATOM 1032 NE2 HIS A 60 -9.755 -14.975 -0.441 1.00 0.00 N ATOM 0 H HIS A 60 -10.275 -18.940 2.168 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.424 -17.178 2.881 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -13.168 -17.476 0.426 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -13.166 -16.115 1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.564 -14.756 1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.664 -15.841 -2.386 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.012 -14.277 -0.478 1.00 0.00 H new ATOM 1040 N HIS A 61 -14.076 -19.028 2.365 1.00 0.00 N ATOM 1041 CA HIS A 61 -15.170 -19.797 2.918 1.00 0.00 C ATOM 1042 C HIS A 61 -15.410 -20.927 1.954 1.00 0.00 C ATOM 1043 O HIS A 61 -15.215 -22.106 2.282 1.00 0.00 O ATOM 1044 CB HIS A 61 -16.467 -18.966 3.112 1.00 0.00 C ATOM 1045 CG HIS A 61 -16.424 -17.995 4.260 1.00 0.00 C ATOM 1046 ND1 HIS A 61 -16.714 -16.649 4.163 1.00 0.00 N ATOM 1047 CD2 HIS A 61 -16.148 -18.220 5.564 1.00 0.00 C ATOM 1048 CE1 HIS A 61 -16.602 -16.113 5.381 1.00 0.00 C ATOM 1049 NE2 HIS A 61 -16.260 -17.029 6.273 1.00 0.00 N ATOM 0 H HIS A 61 -14.082 -19.016 1.345 1.00 0.00 H new ATOM 0 HA HIS A 61 -14.905 -20.148 3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -16.670 -18.414 2.194 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -17.302 -19.650 3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -15.882 -19.176 5.989 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -16.768 -15.070 5.608 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -16.110 -16.890 7.272 1.00 0.00 H new ATOM 1057 N HIS A 62 -15.764 -20.542 0.744 1.00 0.00 N ATOM 1058 CA HIS A 62 -15.973 -21.433 -0.368 1.00 0.00 C ATOM 1059 C HIS A 62 -16.271 -20.579 -1.582 1.00 0.00 C ATOM 1060 O HIS A 62 -17.402 -20.073 -1.698 1.00 0.00 O ATOM 1061 CB HIS A 62 -17.113 -22.436 -0.123 1.00 0.00 C ATOM 1062 CG HIS A 62 -17.285 -23.418 -1.244 1.00 0.00 C ATOM 1063 ND1 HIS A 62 -18.306 -23.372 -2.165 1.00 0.00 N ATOM 1064 CD2 HIS A 62 -16.521 -24.473 -1.590 1.00 0.00 C ATOM 1065 CE1 HIS A 62 -18.136 -24.374 -3.022 1.00 0.00 C ATOM 1066 NE2 HIS A 62 -17.061 -25.080 -2.721 1.00 0.00 N ATOM 1067 OXT HIS A 62 -15.381 -20.375 -2.393 1.00 0.00 O ATOM 0 H HIS A 62 -15.918 -19.563 0.505 1.00 0.00 H new ATOM 0 HA HIS A 62 -15.075 -22.034 -0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.918 -22.980 0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.045 -21.889 0.019 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -15.630 -24.797 -1.072 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -18.791 -24.583 -3.855 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.702 -25.898 -3.213 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 10.620 23.573 -0.446 1.00 0.00 N ATOM 1077 CA MET B 1 9.267 23.359 0.096 1.00 0.00 C ATOM 1078 C MET B 1 8.398 22.612 -0.894 1.00 0.00 C ATOM 1079 O MET B 1 7.188 22.448 -0.677 1.00 0.00 O ATOM 1080 CB MET B 1 8.599 24.692 0.463 1.00 0.00 C ATOM 1081 CG MET B 1 9.209 25.391 1.664 1.00 0.00 C ATOM 1082 SD MET B 1 9.037 24.444 3.200 1.00 0.00 S ATOM 1083 CE MET B 1 7.245 24.415 3.388 1.00 0.00 C ATOM 0 H1 MET B 1 11.175 24.145 0.222 1.00 0.00 H new ATOM 0 H2 MET B 1 11.087 22.654 -0.586 1.00 0.00 H new ATOM 0 H3 MET B 1 10.554 24.071 -1.357 1.00 0.00 H new ATOM 0 HA MET B 1 9.371 22.758 1.000 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.653 25.360 -0.397 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.542 24.512 0.661 1.00 0.00 H new ATOM 0 HG2 MET B 1 10.267 25.573 1.473 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.736 26.365 1.789 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.991 24.162 4.417 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.838 25.396 3.145 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.821 23.669 2.716 1.00 0.00 H new ATOM 1095 N GLU B 2 9.000 22.141 -1.963 1.00 0.00 N ATOM 1096 CA GLU B 2 8.275 21.486 -3.006 1.00 0.00 C ATOM 1097 C GLU B 2 8.170 20.013 -2.672 1.00 0.00 C ATOM 1098 O GLU B 2 9.172 19.300 -2.608 1.00 0.00 O ATOM 1099 CB GLU B 2 8.935 21.705 -4.385 1.00 0.00 C ATOM 1100 CG GLU B 2 9.202 23.181 -4.767 1.00 0.00 C ATOM 1101 CD GLU B 2 10.415 23.780 -4.066 1.00 0.00 C ATOM 1102 OE1 GLU B 2 11.558 23.561 -4.547 1.00 0.00 O ATOM 1103 OE2 GLU B 2 10.265 24.426 -2.996 1.00 0.00 O ATOM 0 H GLU B 2 10.005 22.206 -2.125 1.00 0.00 H new ATOM 0 HA GLU B 2 7.276 21.916 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU B 2 9.882 21.165 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU B 2 8.298 21.259 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU B 2 9.345 23.249 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.321 23.776 -4.524 1.00 0.00 H new ATOM 1110 N MET B 3 6.956 19.567 -2.464 1.00 0.00 N ATOM 1111 CA MET B 3 6.684 18.214 -1.996 1.00 0.00 C ATOM 1112 C MET B 3 6.662 17.215 -3.146 1.00 0.00 C ATOM 1113 O MET B 3 6.475 16.013 -2.935 1.00 0.00 O ATOM 1114 CB MET B 3 5.359 18.178 -1.220 1.00 0.00 C ATOM 1115 CG MET B 3 5.328 19.129 -0.024 1.00 0.00 C ATOM 1116 SD MET B 3 3.758 19.125 0.875 1.00 0.00 S ATOM 1117 CE MET B 3 3.722 17.453 1.509 1.00 0.00 C ATOM 0 H MET B 3 6.118 20.129 -2.613 1.00 0.00 H new ATOM 0 HA MET B 3 7.493 17.922 -1.327 1.00 0.00 H new ATOM 0 HB2 MET B 3 4.543 18.432 -1.897 1.00 0.00 H new ATOM 0 HB3 MET B 3 5.179 17.161 -0.871 1.00 0.00 H new ATOM 0 HG2 MET B 3 6.130 18.859 0.663 1.00 0.00 H new ATOM 0 HG3 MET B 3 5.534 20.141 -0.372 1.00 0.00 H new ATOM 0 HE1 MET B 3 2.942 17.367 2.266 1.00 0.00 H new ATOM 0 HE2 MET B 3 3.515 16.759 0.694 1.00 0.00 H new ATOM 0 HE3 MET B 3 4.687 17.212 1.954 1.00 0.00 H new ATOM 1127 N GLY B 4 6.897 17.705 -4.351 1.00 0.00 N ATOM 1128 CA GLY B 4 6.914 16.847 -5.513 1.00 0.00 C ATOM 1129 C GLY B 4 8.093 15.910 -5.492 1.00 0.00 C ATOM 1130 O GLY B 4 7.985 14.753 -5.887 1.00 0.00 O ATOM 0 H GLY B 4 7.078 18.690 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY B 4 5.990 16.270 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY B 4 6.949 17.457 -6.416 1.00 0.00 H new ATOM 1134 N GLN B 5 9.221 16.393 -5.006 1.00 0.00 N ATOM 1135 CA GLN B 5 10.411 15.558 -4.888 1.00 0.00 C ATOM 1136 C GLN B 5 10.227 14.535 -3.786 1.00 0.00 C ATOM 1137 O GLN B 5 10.702 13.400 -3.880 1.00 0.00 O ATOM 1138 CB GLN B 5 11.654 16.404 -4.653 1.00 0.00 C ATOM 1139 CG GLN B 5 11.957 17.341 -5.802 1.00 0.00 C ATOM 1140 CD GLN B 5 12.135 16.600 -7.115 1.00 0.00 C ATOM 1141 OE1 GLN B 5 11.182 16.377 -7.861 1.00 0.00 O ATOM 1142 NE2 GLN B 5 13.333 16.219 -7.405 1.00 0.00 N ATOM 0 H GLN B 5 9.343 17.354 -4.687 1.00 0.00 H new ATOM 0 HA GLN B 5 10.553 15.026 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN B 5 11.523 16.987 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN B 5 12.509 15.747 -4.492 1.00 0.00 H new ATOM 0 HG2 GLN B 5 11.148 18.064 -5.902 1.00 0.00 H new ATOM 0 HG3 GLN B 5 12.863 17.905 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN B 5 14.101 16.420 -6.765 1.00 0.00 H new ATOM 0 HE22 GLN B 5 13.512 15.717 -8.275 1.00 0.00 H new ATOM 1151 N LEU B 6 9.486 14.929 -2.773 1.00 0.00 N ATOM 1152 CA LEU B 6 9.154 14.062 -1.668 1.00 0.00 C ATOM 1153 C LEU B 6 8.264 12.933 -2.192 1.00 0.00 C ATOM 1154 O LEU B 6 8.529 11.755 -1.946 1.00 0.00 O ATOM 1155 CB LEU B 6 8.483 14.911 -0.533 1.00 0.00 C ATOM 1156 CG LEU B 6 8.017 14.215 0.779 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.712 13.456 0.600 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.104 13.295 1.326 1.00 0.00 C ATOM 0 H LEU B 6 9.095 15.868 -2.694 1.00 0.00 H new ATOM 0 HA LEU B 6 10.040 13.602 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.187 15.695 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.613 15.404 -0.967 1.00 0.00 H new ATOM 0 HG LEU B 6 7.832 15.006 1.506 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.430 12.989 1.544 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.929 14.147 0.289 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.840 12.687 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.753 12.821 2.243 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.337 12.528 0.588 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.000 13.877 1.539 1.00 0.00 H new ATOM 1170 N LYS B 7 7.256 13.302 -2.975 1.00 0.00 N ATOM 1171 CA LYS B 7 6.339 12.337 -3.565 1.00 0.00 C ATOM 1172 C LYS B 7 7.073 11.446 -4.560 1.00 0.00 C ATOM 1173 O LYS B 7 6.778 10.263 -4.675 1.00 0.00 O ATOM 1174 CB LYS B 7 5.158 13.048 -4.243 1.00 0.00 C ATOM 1175 CG LYS B 7 3.796 12.577 -3.746 1.00 0.00 C ATOM 1176 CD LYS B 7 3.509 11.111 -4.099 1.00 0.00 C ATOM 1177 CE LYS B 7 3.248 10.915 -5.585 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.978 11.537 -6.022 1.00 0.00 N ATOM 0 H LYS B 7 7.053 14.272 -3.217 1.00 0.00 H new ATOM 0 HA LYS B 7 5.942 11.710 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.246 14.121 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.218 12.888 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.746 12.702 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.019 13.209 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.356 10.494 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.645 10.766 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.073 11.341 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.223 9.849 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.743 11.209 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.216 11.268 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.081 12.572 -6.026 1.00 0.00 H new ATOM 1192 N ASN B 8 8.040 12.022 -5.252 1.00 0.00 N ATOM 1193 CA ASN B 8 8.865 11.285 -6.199 1.00 0.00 C ATOM 1194 C ASN B 8 9.656 10.202 -5.494 1.00 0.00 C ATOM 1195 O ASN B 8 9.778 9.083 -6.002 1.00 0.00 O ATOM 1196 CB ASN B 8 9.789 12.229 -6.983 1.00 0.00 C ATOM 1197 CG ASN B 8 10.732 11.499 -7.930 1.00 0.00 C ATOM 1198 OD1 ASN B 8 10.357 11.152 -9.050 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.966 11.330 -7.524 1.00 0.00 N ATOM 0 H ASN B 8 8.277 13.011 -5.175 1.00 0.00 H new ATOM 0 HA ASN B 8 8.203 10.803 -6.918 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.181 12.929 -7.555 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.376 12.819 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.652 10.898 -8.143 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.241 11.630 -6.589 1.00 0.00 H new ATOM 1206 N LYS B 9 10.175 10.519 -4.314 1.00 0.00 N ATOM 1207 CA LYS B 9 10.881 9.525 -3.527 1.00 0.00 C ATOM 1208 C LYS B 9 9.929 8.477 -2.988 1.00 0.00 C ATOM 1209 O LYS B 9 10.287 7.308 -2.904 1.00 0.00 O ATOM 1210 CB LYS B 9 11.708 10.122 -2.397 1.00 0.00 C ATOM 1211 CG LYS B 9 12.836 11.011 -2.869 1.00 0.00 C ATOM 1212 CD LYS B 9 13.891 11.183 -1.792 1.00 0.00 C ATOM 1213 CE LYS B 9 13.369 11.849 -0.528 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.434 11.961 0.492 1.00 0.00 N ATOM 0 H LYS B 9 10.120 11.444 -3.888 1.00 0.00 H new ATOM 0 HA LYS B 9 11.585 9.051 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.052 10.699 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.123 9.313 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.291 10.581 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.439 11.986 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.299 10.205 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.713 11.776 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.985 12.840 -0.768 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.536 11.272 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.052 12.419 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.783 11.012 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.218 12.531 0.115 1.00 0.00 H new ATOM 1228 N ILE B 10 8.728 8.904 -2.615 1.00 0.00 N ATOM 1229 CA ILE B 10 7.671 7.977 -2.185 1.00 0.00 C ATOM 1230 C ILE B 10 7.390 6.974 -3.301 1.00 0.00 C ATOM 1231 O ILE B 10 7.427 5.762 -3.075 1.00 0.00 O ATOM 1232 CB ILE B 10 6.350 8.713 -1.782 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.573 9.569 -0.525 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.200 7.721 -1.568 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.336 10.300 -0.038 1.00 0.00 C ATOM 0 H ILE B 10 8.455 9.887 -2.599 1.00 0.00 H new ATOM 0 HA ILE B 10 8.030 7.461 -1.295 1.00 0.00 H new ATOM 0 HB ILE B 10 6.069 9.371 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.940 8.928 0.276 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.355 10.300 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.297 8.265 -1.289 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.020 7.168 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.464 7.024 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.582 10.879 0.852 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.978 10.970 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.558 9.576 0.204 1.00 0.00 H new ATOM 1247 N GLU B 11 7.151 7.494 -4.505 1.00 0.00 N ATOM 1248 CA GLU B 11 6.935 6.672 -5.687 1.00 0.00 C ATOM 1249 C GLU B 11 8.118 5.743 -5.904 1.00 0.00 C ATOM 1250 O GLU B 11 7.945 4.541 -6.024 1.00 0.00 O ATOM 1251 CB GLU B 11 6.719 7.544 -6.929 1.00 0.00 C ATOM 1252 CG GLU B 11 5.410 8.318 -6.944 1.00 0.00 C ATOM 1253 CD GLU B 11 4.208 7.410 -6.996 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.913 6.856 -8.070 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.537 7.209 -5.968 1.00 0.00 O ATOM 0 H GLU B 11 7.102 8.497 -4.684 1.00 0.00 H new ATOM 0 HA GLU B 11 6.037 6.075 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.544 8.252 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.759 6.908 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.351 8.944 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.395 8.986 -7.805 1.00 0.00 H new ATOM 1262 N ASN B 12 9.313 6.311 -5.888 1.00 0.00 N ATOM 1263 CA ASN B 12 10.561 5.562 -6.077 1.00 0.00 C ATOM 1264 C ASN B 12 10.701 4.416 -5.092 1.00 0.00 C ATOM 1265 O ASN B 12 10.997 3.291 -5.487 1.00 0.00 O ATOM 1266 CB ASN B 12 11.788 6.495 -5.966 1.00 0.00 C ATOM 1267 CG ASN B 12 13.117 5.739 -5.877 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.717 5.386 -6.890 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.603 5.533 -4.669 1.00 0.00 N ATOM 0 H ASN B 12 9.453 7.311 -5.743 1.00 0.00 H new ATOM 0 HA ASN B 12 10.519 5.138 -7.080 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.812 7.157 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.677 7.126 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.503 5.068 -4.554 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.079 5.839 -3.849 1.00 0.00 H new ATOM 1276 N LYS B 13 10.456 4.704 -3.835 1.00 0.00 N ATOM 1277 CA LYS B 13 10.636 3.744 -2.768 1.00 0.00 C ATOM 1278 C LYS B 13 9.598 2.637 -2.879 1.00 0.00 C ATOM 1279 O LYS B 13 9.910 1.453 -2.705 1.00 0.00 O ATOM 1280 CB LYS B 13 10.536 4.460 -1.425 1.00 0.00 C ATOM 1281 CG LYS B 13 11.067 3.671 -0.247 1.00 0.00 C ATOM 1282 CD LYS B 13 12.535 3.307 -0.424 1.00 0.00 C ATOM 1283 CE LYS B 13 13.419 4.515 -0.664 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.837 4.131 -0.800 1.00 0.00 N ATOM 0 H LYS B 13 10.124 5.616 -3.521 1.00 0.00 H new ATOM 0 HA LYS B 13 11.622 3.286 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.081 5.402 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.491 4.708 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.945 4.254 0.666 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.479 2.761 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.883 2.780 0.464 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.634 2.618 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.093 5.032 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.309 5.217 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.404 4.972 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.173 3.721 0.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.935 3.429 -1.561 1.00 0.00 H new ATOM 1298 N LYS B 14 8.377 3.043 -3.184 1.00 0.00 N ATOM 1299 CA LYS B 14 7.270 2.158 -3.445 1.00 0.00 C ATOM 1300 C LYS B 14 7.658 1.207 -4.578 1.00 0.00 C ATOM 1301 O LYS B 14 7.558 0.008 -4.445 1.00 0.00 O ATOM 1302 CB LYS B 14 6.063 3.013 -3.874 1.00 0.00 C ATOM 1303 CG LYS B 14 4.762 2.266 -4.093 1.00 0.00 C ATOM 1304 CD LYS B 14 3.658 3.201 -4.611 1.00 0.00 C ATOM 1305 CE LYS B 14 3.925 3.654 -6.043 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.936 4.656 -6.524 1.00 0.00 N ATOM 0 H LYS B 14 8.128 4.029 -3.257 1.00 0.00 H new ATOM 0 HA LYS B 14 7.018 1.578 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.896 3.777 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.321 3.532 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.921 1.458 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.443 1.807 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.697 2.689 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.586 4.073 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.926 4.080 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.907 2.787 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.124 4.878 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.975 4.268 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.016 5.523 -5.956 1.00 0.00 H new ATOM 1320 N LYS B 15 8.159 1.779 -5.668 1.00 0.00 N ATOM 1321 CA LYS B 15 8.567 1.027 -6.855 1.00 0.00 C ATOM 1322 C LYS B 15 9.723 0.089 -6.564 1.00 0.00 C ATOM 1323 O LYS B 15 9.778 -1.016 -7.114 1.00 0.00 O ATOM 1324 CB LYS B 15 8.898 1.972 -8.003 1.00 0.00 C ATOM 1325 CG LYS B 15 7.699 2.786 -8.460 1.00 0.00 C ATOM 1326 CD LYS B 15 8.076 3.872 -9.453 1.00 0.00 C ATOM 1327 CE LYS B 15 8.591 3.309 -10.772 1.00 0.00 C ATOM 1328 NZ LYS B 15 7.568 2.497 -11.467 1.00 0.00 N ATOM 0 H LYS B 15 8.295 2.786 -5.756 1.00 0.00 H new ATOM 0 HA LYS B 15 7.723 0.406 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.694 2.649 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.281 1.394 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.965 2.121 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS B 15 7.222 3.242 -7.592 1.00 0.00 H new ATOM 0 HD2 LYS B 15 7.206 4.500 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.841 4.512 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.903 4.129 -11.419 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.473 2.697 -10.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.880 2.304 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.436 1.598 -10.961 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.668 3.017 -11.489 1.00 0.00 H new ATOM 1342 N GLU B 16 10.643 0.514 -5.705 1.00 0.00 N ATOM 1343 CA GLU B 16 11.729 -0.354 -5.271 1.00 0.00 C ATOM 1344 C GLU B 16 11.148 -1.579 -4.577 1.00 0.00 C ATOM 1345 O GLU B 16 11.529 -2.717 -4.849 1.00 0.00 O ATOM 1346 CB GLU B 16 12.684 0.350 -4.300 1.00 0.00 C ATOM 1347 CG GLU B 16 13.541 1.459 -4.862 1.00 0.00 C ATOM 1348 CD GLU B 16 14.584 1.867 -3.852 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.531 1.071 -3.632 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.451 2.926 -3.215 1.00 0.00 O ATOM 0 H GLU B 16 10.658 1.449 -5.298 1.00 0.00 H new ATOM 0 HA GLU B 16 12.295 -0.636 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.092 0.761 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.344 -0.403 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU B 16 14.023 1.127 -5.781 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.918 2.316 -5.120 1.00 0.00 H new ATOM 1357 N LEU B 17 10.194 -1.327 -3.723 1.00 0.00 N ATOM 1358 CA LEU B 17 9.541 -2.355 -2.967 1.00 0.00 C ATOM 1359 C LEU B 17 8.709 -3.270 -3.859 1.00 0.00 C ATOM 1360 O LEU B 17 8.727 -4.483 -3.677 1.00 0.00 O ATOM 1361 CB LEU B 17 8.720 -1.707 -1.819 1.00 0.00 C ATOM 1362 CG LEU B 17 7.691 -2.563 -1.060 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.414 -2.736 -1.830 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.274 -3.884 -0.601 1.00 0.00 C ATOM 0 H LEU B 17 9.845 -0.388 -3.532 1.00 0.00 H new ATOM 0 HA LEU B 17 10.291 -3.003 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.428 -1.319 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.191 -0.850 -2.236 1.00 0.00 H new ATOM 0 HG LEU B 17 7.431 -2.010 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.721 -3.347 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.967 -1.760 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.626 -3.227 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.511 -4.454 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.614 -4.452 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.117 -3.698 0.065 1.00 0.00 H new ATOM 1376 N ILE B 18 7.988 -2.695 -4.799 1.00 0.00 N ATOM 1377 CA ILE B 18 7.127 -3.471 -5.684 1.00 0.00 C ATOM 1378 C ILE B 18 7.947 -4.534 -6.413 1.00 0.00 C ATOM 1379 O ILE B 18 7.521 -5.670 -6.543 1.00 0.00 O ATOM 1380 CB ILE B 18 6.389 -2.570 -6.710 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.500 -1.567 -5.980 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.541 -3.419 -7.674 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.993 -0.454 -6.859 1.00 0.00 C ATOM 0 H ILE B 18 7.977 -1.690 -4.975 1.00 0.00 H new ATOM 0 HA ILE B 18 6.370 -3.955 -5.067 1.00 0.00 H new ATOM 0 HB ILE B 18 7.136 -2.031 -7.293 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.649 -2.095 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE B 18 6.060 -1.136 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE B 18 5.033 -2.766 -8.384 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.187 -4.110 -8.215 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.801 -3.983 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.369 0.219 -6.271 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.838 0.100 -7.268 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.405 -0.874 -7.675 1.00 0.00 H new ATOM 1395 N GLN B 19 9.144 -4.151 -6.827 1.00 0.00 N ATOM 1396 CA GLN B 19 10.073 -5.057 -7.497 1.00 0.00 C ATOM 1397 C GLN B 19 10.496 -6.190 -6.559 1.00 0.00 C ATOM 1398 O GLN B 19 10.642 -7.331 -6.979 1.00 0.00 O ATOM 1399 CB GLN B 19 11.288 -4.285 -7.990 1.00 0.00 C ATOM 1400 CG GLN B 19 10.955 -3.255 -9.050 1.00 0.00 C ATOM 1401 CD GLN B 19 12.123 -2.365 -9.388 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.918 -2.651 -10.288 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.229 -1.276 -8.692 1.00 0.00 N ATOM 0 H GLN B 19 9.503 -3.203 -6.710 1.00 0.00 H new ATOM 0 HA GLN B 19 9.569 -5.502 -8.355 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.760 -3.786 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.017 -4.988 -8.393 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.620 -3.765 -9.953 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.124 -2.640 -8.704 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.553 -1.073 -7.956 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.989 -0.622 -8.881 1.00 0.00 H new ATOM 1412 N LEU B 20 10.648 -5.866 -5.291 1.00 0.00 N ATOM 1413 CA LEU B 20 10.988 -6.845 -4.257 1.00 0.00 C ATOM 1414 C LEU B 20 9.865 -7.861 -4.071 1.00 0.00 C ATOM 1415 O LEU B 20 10.107 -9.066 -4.106 1.00 0.00 O ATOM 1416 CB LEU B 20 11.315 -6.151 -2.933 1.00 0.00 C ATOM 1417 CG LEU B 20 12.784 -5.786 -2.646 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.471 -5.180 -3.831 1.00 0.00 C ATOM 1419 CD2 LEU B 20 12.845 -4.809 -1.507 1.00 0.00 C ATOM 0 H LEU B 20 10.541 -4.915 -4.939 1.00 0.00 H new ATOM 0 HA LEU B 20 11.877 -7.382 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.728 -5.234 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU B 20 10.968 -6.795 -2.125 1.00 0.00 H new ATOM 0 HG LEU B 20 13.299 -6.714 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.503 -4.943 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU B 20 13.459 -5.888 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.952 -4.268 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU B 20 13.884 -4.551 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU B 20 12.292 -3.907 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU B 20 12.403 -5.259 -0.618 1.00 0.00 H new ATOM 1431 N VAL B 21 8.643 -7.379 -3.872 1.00 0.00 N ATOM 1432 CA VAL B 21 7.482 -8.276 -3.770 1.00 0.00 C ATOM 1433 C VAL B 21 7.285 -9.067 -5.100 1.00 0.00 C ATOM 1434 O VAL B 21 6.852 -10.224 -5.107 1.00 0.00 O ATOM 1435 CB VAL B 21 6.190 -7.486 -3.439 1.00 0.00 C ATOM 1436 CG1 VAL B 21 5.040 -8.421 -3.096 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.437 -6.509 -2.312 1.00 0.00 C ATOM 0 H VAL B 21 8.425 -6.387 -3.778 1.00 0.00 H new ATOM 0 HA VAL B 21 7.677 -8.977 -2.959 1.00 0.00 H new ATOM 0 HB VAL B 21 5.907 -6.924 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.150 -7.835 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.837 -9.075 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.308 -9.024 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.518 -5.964 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.756 -7.053 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.216 -5.805 -2.605 1.00 0.00 H new ATOM 1447 N ALA B 22 7.634 -8.438 -6.204 1.00 0.00 N ATOM 1448 CA ALA B 22 7.528 -9.046 -7.520 1.00 0.00 C ATOM 1449 C ALA B 22 8.492 -10.222 -7.678 1.00 0.00 C ATOM 1450 O ALA B 22 8.077 -11.327 -8.087 1.00 0.00 O ATOM 1451 CB ALA B 22 7.774 -8.011 -8.597 1.00 0.00 C ATOM 0 H ALA B 22 8.001 -7.486 -6.216 1.00 0.00 H new ATOM 0 HA ALA B 22 6.515 -9.435 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.692 -8.480 -9.578 1.00 0.00 H new ATOM 0 HB2 ALA B 22 7.035 -7.215 -8.512 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.773 -7.592 -8.478 1.00 0.00 H new ATOM 1457 N ARG B 23 9.769 -10.005 -7.314 1.00 0.00 N ATOM 1458 CA ARG B 23 10.824 -11.033 -7.430 1.00 0.00 C ATOM 1459 C ARG B 23 10.625 -12.171 -6.437 1.00 0.00 C ATOM 1460 O ARG B 23 11.348 -13.172 -6.465 1.00 0.00 O ATOM 1461 CB ARG B 23 12.233 -10.433 -7.291 1.00 0.00 C ATOM 1462 CG ARG B 23 12.467 -9.692 -5.997 1.00 0.00 C ATOM 1463 CD ARG B 23 13.866 -9.111 -5.911 1.00 0.00 C ATOM 1464 NE ARG B 23 14.902 -10.149 -5.831 1.00 0.00 N ATOM 1465 CZ ARG B 23 16.224 -9.915 -5.854 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.687 -8.692 -6.095 1.00 0.00 N ATOM 1467 NH2 ARG B 23 17.076 -10.919 -5.663 1.00 0.00 N ATOM 0 H ARG B 23 10.099 -9.118 -6.933 1.00 0.00 H new ATOM 0 HA ARG B 23 10.736 -11.448 -8.434 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.967 -11.235 -7.375 1.00 0.00 H new ATOM 0 HB3 ARG B 23 12.409 -9.752 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.736 -8.889 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.305 -10.369 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG B 23 14.050 -8.485 -6.784 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.935 -8.465 -5.035 1.00 0.00 H new ATOM 0 HE ARG B 23 14.595 -11.118 -5.752 1.00 0.00 H new ATOM 0 HH11 ARG B 23 16.037 -7.925 -6.264 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.692 -8.521 -6.111 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.724 -11.862 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG B 23 18.081 -10.745 -5.680 1.00 0.00 H new ATOM 1481 N HIS B 24 9.687 -11.996 -5.539 1.00 0.00 N ATOM 1482 CA HIS B 24 9.275 -13.054 -4.653 1.00 0.00 C ATOM 1483 C HIS B 24 8.669 -14.195 -5.486 1.00 0.00 C ATOM 1484 O HIS B 24 8.975 -15.367 -5.287 1.00 0.00 O ATOM 1485 CB HIS B 24 8.252 -12.508 -3.635 1.00 0.00 C ATOM 1486 CG HIS B 24 7.467 -13.573 -2.925 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.117 -13.758 -3.107 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.864 -14.539 -2.060 1.00 0.00 C ATOM 1489 CE1 HIS B 24 5.744 -14.799 -2.380 1.00 0.00 C ATOM 1490 NE2 HIS B 24 6.764 -15.316 -1.719 1.00 0.00 N ATOM 0 H HIS B 24 9.189 -11.117 -5.403 1.00 0.00 H new ATOM 0 HA HIS B 24 10.132 -13.439 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.778 -11.905 -2.895 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.559 -11.845 -4.152 1.00 0.00 H new ATOM 0 HD2 HIS B 24 8.871 -14.681 -1.696 1.00 0.00 H new ATOM 0 HE1 HIS B 24 4.734 -15.178 -2.333 1.00 0.00 H new ATOM 0 HE2 HIS B 24 6.747 -16.118 -1.089 1.00 0.00 H new ATOM 1498 N GLY B 25 7.854 -13.826 -6.432 1.00 0.00 N ATOM 1499 CA GLY B 25 7.208 -14.803 -7.252 1.00 0.00 C ATOM 1500 C GLY B 25 5.785 -14.431 -7.547 1.00 0.00 C ATOM 1501 O GLY B 25 4.888 -15.285 -7.533 1.00 0.00 O ATOM 0 H GLY B 25 7.623 -12.857 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.756 -14.912 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.234 -15.771 -6.752 1.00 0.00 H new ATOM 1505 N LEU B 26 5.548 -13.161 -7.784 1.00 0.00 N ATOM 1506 CA LEU B 26 4.224 -12.734 -8.143 1.00 0.00 C ATOM 1507 C LEU B 26 4.009 -12.867 -9.600 1.00 0.00 C ATOM 1508 O LEU B 26 4.952 -12.748 -10.396 1.00 0.00 O ATOM 1509 CB LEU B 26 3.910 -11.294 -7.737 1.00 0.00 C ATOM 1510 CG LEU B 26 3.631 -11.030 -6.278 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.213 -9.588 -6.047 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.629 -12.017 -5.686 1.00 0.00 C ATOM 0 H LEU B 26 6.246 -12.419 -7.735 1.00 0.00 H new ATOM 0 HA LEU B 26 3.551 -13.388 -7.589 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.750 -10.668 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.044 -10.963 -8.311 1.00 0.00 H new ATOM 0 HG LEU B 26 4.567 -11.190 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.019 -9.431 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.011 -8.921 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.308 -9.376 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.464 -11.782 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.685 -11.945 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.021 -13.030 -5.774 1.00 0.00 H new ATOM 1524 N ASP B 27 2.783 -13.130 -9.943 1.00 0.00 N ATOM 1525 CA ASP B 27 2.349 -13.138 -11.317 1.00 0.00 C ATOM 1526 C ASP B 27 2.456 -11.724 -11.806 1.00 0.00 C ATOM 1527 O ASP B 27 2.436 -10.784 -10.987 1.00 0.00 O ATOM 1528 CB ASP B 27 0.876 -13.580 -11.425 1.00 0.00 C ATOM 1529 CG ASP B 27 0.614 -14.978 -10.925 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.638 -15.193 -9.688 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.345 -15.880 -11.747 1.00 0.00 O ATOM 0 H ASP B 27 2.045 -13.348 -9.273 1.00 0.00 H new ATOM 0 HA ASP B 27 2.958 -13.829 -11.900 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.256 -12.882 -10.862 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.564 -13.514 -12.467 1.00 0.00 H new ATOM 1536 N HIS B 28 2.535 -11.534 -13.090 1.00 0.00 N ATOM 1537 CA HIS B 28 2.642 -10.186 -13.634 1.00 0.00 C ATOM 1538 C HIS B 28 1.437 -9.341 -13.240 1.00 0.00 C ATOM 1539 O HIS B 28 1.572 -8.152 -12.956 1.00 0.00 O ATOM 1540 CB HIS B 28 2.873 -10.181 -15.151 1.00 0.00 C ATOM 1541 CG HIS B 28 4.253 -10.620 -15.559 1.00 0.00 C ATOM 1542 ND1 HIS B 28 5.216 -9.765 -16.053 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.823 -11.848 -15.550 1.00 0.00 C ATOM 1544 CE1 HIS B 28 6.307 -10.480 -16.323 1.00 0.00 C ATOM 1545 NE2 HIS B 28 6.122 -11.757 -16.033 1.00 0.00 N ATOM 0 H HIS B 28 2.529 -12.279 -13.786 1.00 0.00 H new ATOM 0 HA HIS B 28 3.528 -9.731 -13.191 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.140 -10.836 -15.622 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.695 -9.176 -15.533 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.342 -12.757 -15.219 1.00 0.00 H new ATOM 0 HE1 HIS B 28 7.222 -10.071 -16.726 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.794 -12.517 -16.141 1.00 0.00 H new ATOM 1553 N ASP B 29 0.282 -9.988 -13.141 1.00 0.00 N ATOM 1554 CA ASP B 29 -0.947 -9.330 -12.708 1.00 0.00 C ATOM 1555 C ASP B 29 -0.918 -9.043 -11.227 1.00 0.00 C ATOM 1556 O ASP B 29 -1.426 -8.030 -10.787 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.195 -10.138 -13.062 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.482 -10.146 -14.535 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.116 -9.196 -15.034 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.066 -11.105 -15.236 1.00 0.00 O ATOM 0 H ASP B 29 0.170 -10.979 -13.357 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.000 -8.386 -13.250 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.069 -11.164 -12.715 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.053 -9.725 -12.531 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.285 -9.922 -10.460 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.154 -9.732 -9.014 1.00 0.00 C ATOM 1567 C LYS B 30 0.645 -8.484 -8.708 1.00 0.00 C ATOM 1568 O LYS B 30 0.283 -7.729 -7.835 1.00 0.00 O ATOM 1569 CB LYS B 30 0.467 -10.957 -8.326 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.487 -12.128 -8.101 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.503 -11.822 -6.999 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.405 -13.020 -6.719 1.00 0.00 C ATOM 1573 NZ LYS B 30 -3.270 -12.805 -5.528 1.00 0.00 N ATOM 0 H LYS B 30 0.148 -10.776 -10.812 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.160 -9.610 -8.611 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.308 -11.304 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.870 -10.647 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.013 -12.354 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.084 -13.017 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.977 -11.540 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.113 -10.967 -7.292 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.031 -13.213 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.791 -13.907 -6.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.866 -13.644 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.674 -12.646 -4.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -3.876 -11.974 -5.684 1.00 0.00 H new ATOM 1587 N VAL B 31 1.711 -8.263 -9.462 1.00 0.00 N ATOM 1588 CA VAL B 31 2.545 -7.081 -9.314 1.00 0.00 C ATOM 1589 C VAL B 31 1.713 -5.824 -9.621 1.00 0.00 C ATOM 1590 O VAL B 31 1.780 -4.819 -8.903 1.00 0.00 O ATOM 1591 CB VAL B 31 3.761 -7.146 -10.279 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.681 -5.954 -10.093 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.526 -8.446 -10.097 1.00 0.00 C ATOM 0 H VAL B 31 2.022 -8.900 -10.195 1.00 0.00 H new ATOM 0 HA VAL B 31 2.914 -7.039 -8.289 1.00 0.00 H new ATOM 0 HB VAL B 31 3.375 -7.113 -11.298 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.521 -6.031 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL B 31 4.130 -5.035 -10.293 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.054 -5.938 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.373 -8.469 -10.783 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.888 -8.515 -9.071 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.867 -9.288 -10.306 1.00 0.00 H new ATOM 1603 N LEU B 32 0.909 -5.912 -10.666 1.00 0.00 N ATOM 1604 CA LEU B 32 0.039 -4.820 -11.092 1.00 0.00 C ATOM 1605 C LEU B 32 -1.002 -4.512 -10.038 1.00 0.00 C ATOM 1606 O LEU B 32 -1.189 -3.364 -9.659 1.00 0.00 O ATOM 1607 CB LEU B 32 -0.644 -5.176 -12.404 1.00 0.00 C ATOM 1608 CG LEU B 32 0.287 -5.462 -13.572 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.505 -5.897 -14.774 1.00 0.00 C ATOM 1610 CD2 LEU B 32 1.134 -4.245 -13.902 1.00 0.00 C ATOM 0 H LEU B 32 0.838 -6.746 -11.249 1.00 0.00 H new ATOM 0 HA LEU B 32 0.656 -3.933 -11.236 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.272 -6.052 -12.240 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.306 -4.356 -12.683 1.00 0.00 H new ATOM 0 HG LEU B 32 0.959 -6.271 -13.285 1.00 0.00 H new ATOM 0 HD11 LEU B 32 0.173 -6.099 -15.603 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.063 -6.802 -14.534 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.200 -5.106 -15.058 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.791 -4.476 -14.741 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.485 -3.411 -14.168 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.735 -3.974 -13.034 1.00 0.00 H new ATOM 1622 N LEU B 33 -1.656 -5.542 -9.552 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.679 -5.385 -8.543 1.00 0.00 C ATOM 1624 C LEU B 33 -2.082 -4.901 -7.234 1.00 0.00 C ATOM 1625 O LEU B 33 -2.632 -4.017 -6.593 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.449 -6.684 -8.344 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.191 -7.222 -9.582 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.862 -8.545 -9.279 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.210 -6.210 -10.101 1.00 0.00 C ATOM 0 H LEU B 33 -1.496 -6.507 -9.842 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.381 -4.627 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.752 -7.448 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.176 -6.535 -7.545 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.450 -7.385 -10.365 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.379 -8.903 -10.169 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.110 -9.274 -8.978 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.581 -8.412 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.717 -6.619 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -5.943 -5.999 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -4.699 -5.288 -10.377 1.00 0.00 H new ATOM 1641 N PHE B 34 -0.935 -5.451 -6.871 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.252 -5.064 -5.650 1.00 0.00 C ATOM 1643 C PHE B 34 0.151 -3.596 -5.681 1.00 0.00 C ATOM 1644 O PHE B 34 -0.165 -2.846 -4.755 1.00 0.00 O ATOM 1645 CB PHE B 34 0.978 -5.952 -5.395 1.00 0.00 C ATOM 1646 CG PHE B 34 1.806 -5.495 -4.240 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.358 -5.656 -2.943 1.00 0.00 C ATOM 1648 CD2 PHE B 34 3.012 -4.854 -4.459 1.00 0.00 C ATOM 1649 CE1 PHE B 34 2.101 -5.193 -1.888 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.747 -4.380 -3.411 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.296 -4.552 -2.127 1.00 0.00 C ATOM 0 H PHE B 34 -0.455 -6.172 -7.410 1.00 0.00 H new ATOM 0 HA PHE B 34 -0.954 -5.206 -4.828 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.648 -6.975 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.597 -5.970 -6.292 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.416 -6.150 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.375 -4.727 -5.468 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.751 -5.330 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.682 -3.871 -3.592 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.882 -4.182 -1.298 1.00 0.00 H new ATOM 1661 N SER B 35 0.809 -3.189 -6.755 1.00 0.00 N ATOM 1662 CA SER B 35 1.296 -1.832 -6.886 1.00 0.00 C ATOM 1663 C SER B 35 0.173 -0.809 -6.764 1.00 0.00 C ATOM 1664 O SER B 35 0.301 0.181 -6.047 1.00 0.00 O ATOM 1665 CB SER B 35 2.068 -1.670 -8.199 1.00 0.00 C ATOM 1666 OG SER B 35 1.320 -2.141 -9.299 1.00 0.00 O ATOM 0 H SER B 35 1.018 -3.788 -7.554 1.00 0.00 H new ATOM 0 HA SER B 35 1.981 -1.639 -6.060 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.316 -0.619 -8.349 1.00 0.00 H new ATOM 0 HB3 SER B 35 3.010 -2.215 -8.138 1.00 0.00 H new ATOM 0 HG SER B 35 1.417 -3.114 -9.368 1.00 0.00 H new ATOM 1672 N ARG B 36 -0.942 -1.089 -7.405 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.064 -0.182 -7.393 1.00 0.00 C ATOM 1674 C ARG B 36 -2.875 -0.285 -6.104 1.00 0.00 C ATOM 1675 O ARG B 36 -3.634 0.610 -5.779 1.00 0.00 O ATOM 1676 CB ARG B 36 -2.954 -0.402 -8.611 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.593 -1.770 -8.687 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.333 -1.951 -9.987 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.385 -0.944 -10.144 1.00 0.00 N ATOM 1680 CZ ARG B 36 -5.715 -0.346 -11.288 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -5.053 -0.618 -12.405 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -6.701 0.536 -11.305 1.00 0.00 N ATOM 0 H ARG B 36 -1.093 -1.942 -7.943 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.658 0.829 -7.438 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.741 0.352 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.361 -0.242 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -2.826 -2.539 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.281 -1.900 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -3.633 -1.882 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -4.772 -2.948 -10.022 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.908 -0.679 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -4.285 -1.289 -12.392 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -5.312 -0.156 -13.277 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.204 0.755 -10.445 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -6.958 0.997 -12.178 1.00 0.00 H new ATOM 1696 N ASP B 37 -2.746 -1.378 -5.382 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.488 -1.510 -4.133 1.00 0.00 C ATOM 1698 C ASP B 37 -2.723 -0.841 -3.019 1.00 0.00 C ATOM 1699 O ASP B 37 -3.301 -0.220 -2.120 1.00 0.00 O ATOM 1700 CB ASP B 37 -3.760 -2.962 -3.793 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.030 -3.111 -2.993 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.117 -3.059 -3.611 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -4.976 -3.278 -1.770 1.00 0.00 O ATOM 0 H ASP B 37 -2.153 -2.172 -5.624 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.454 -1.021 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -3.836 -3.544 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -2.922 -3.368 -3.227 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.417 -0.934 -3.108 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.530 -0.293 -2.164 1.00 0.00 C ATOM 1710 C LEU B 38 -0.551 1.213 -2.422 1.00 0.00 C ATOM 1711 O LEU B 38 -0.446 2.018 -1.500 1.00 0.00 O ATOM 1712 CB LEU B 38 0.885 -0.911 -2.300 1.00 0.00 C ATOM 1713 CG LEU B 38 1.972 -0.502 -1.284 1.00 0.00 C ATOM 1714 CD1 LEU B 38 3.104 -1.451 -1.358 1.00 0.00 C ATOM 1715 CD2 LEU B 38 2.539 0.810 -1.605 1.00 0.00 C ATOM 0 H LEU B 38 -0.937 -1.458 -3.840 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.853 -0.455 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.779 -1.995 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU B 38 1.256 -0.671 -3.296 1.00 0.00 H new ATOM 0 HG LEU B 38 1.498 -0.490 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.870 -1.160 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU B 38 2.752 -2.456 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU B 38 3.525 -1.437 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.301 1.067 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.988 0.779 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU B 38 1.750 1.562 -1.587 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.720 1.572 -3.684 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.824 2.970 -4.096 1.00 0.00 C ATOM 1729 C ASP B 39 -2.023 3.603 -3.401 1.00 0.00 C ATOM 1730 O ASP B 39 -1.914 4.686 -2.830 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.997 3.050 -5.611 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.885 4.451 -6.170 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.265 4.902 -6.454 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.928 5.105 -6.392 1.00 0.00 O ATOM 0 H ASP B 39 -0.789 0.907 -4.454 1.00 0.00 H new ATOM 0 HA ASP B 39 0.084 3.505 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.246 2.419 -6.086 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.971 2.640 -5.877 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.150 2.857 -3.395 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.393 3.276 -2.718 1.00 0.00 C ATOM 1741 C LYS B 40 -4.112 3.624 -1.270 1.00 0.00 C ATOM 1742 O LYS B 40 -4.546 4.658 -0.770 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.421 2.136 -2.666 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.930 1.568 -3.972 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.983 0.495 -3.679 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.452 -0.239 -4.928 1.00 0.00 C ATOM 1747 NZ LYS B 40 -6.415 -1.124 -5.488 1.00 0.00 N ATOM 0 H LYS B 40 -3.221 1.951 -3.858 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.775 4.126 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -4.981 1.317 -2.097 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.282 2.491 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.362 2.361 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.106 1.139 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -6.571 -0.227 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.841 0.960 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.337 -0.829 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -7.749 0.489 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -6.791 -1.612 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -5.586 -0.558 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.136 -1.827 -4.774 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.375 2.732 -0.618 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.066 2.824 0.799 1.00 0.00 C ATOM 1763 C LEU B 41 -2.316 4.129 1.065 1.00 0.00 C ATOM 1764 O LEU B 41 -2.673 4.897 1.966 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.167 1.637 1.197 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.252 1.086 2.633 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -1.027 0.313 2.998 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -2.608 2.116 3.669 1.00 0.00 C ATOM 0 H LEU B 41 -2.970 1.912 -1.069 1.00 0.00 H new ATOM 0 HA LEU B 41 -3.988 2.802 1.380 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.386 0.815 0.515 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.133 1.932 1.018 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.094 0.394 2.632 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.123 -0.060 4.018 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.910 -0.527 2.314 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -0.154 0.962 2.930 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -2.647 1.646 4.651 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -1.854 2.903 3.673 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -3.581 2.547 3.434 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.304 4.375 0.259 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.487 5.562 0.396 1.00 0.00 C ATOM 1782 C ILE B 42 -1.333 6.803 0.213 1.00 0.00 C ATOM 1783 O ILE B 42 -1.414 7.618 1.120 1.00 0.00 O ATOM 1784 CB ILE B 42 0.713 5.572 -0.590 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.606 4.365 -0.322 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.519 6.865 -0.453 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.795 4.252 -1.244 1.00 0.00 C ATOM 0 H ILE B 42 -1.026 3.761 -0.506 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.071 5.554 1.404 1.00 0.00 H new ATOM 0 HB ILE B 42 0.329 5.518 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.963 4.414 0.707 1.00 0.00 H new ATOM 0 HG13 ILE B 42 1.007 3.459 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.354 6.849 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.878 7.719 -0.672 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.900 6.950 0.565 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.375 3.367 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.450 4.169 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.421 5.139 -1.141 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.014 6.895 -0.926 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.870 8.051 -1.265 1.00 0.00 C ATOM 1801 C ASN B 43 -3.866 8.326 -0.155 1.00 0.00 C ATOM 1802 O ASN B 43 -4.096 9.495 0.220 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.645 7.820 -2.575 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.757 7.532 -3.767 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.617 7.988 -3.846 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.283 6.807 -4.713 1.00 0.00 N ATOM 0 H ASN B 43 -1.994 6.174 -1.647 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.207 8.907 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.334 6.986 -2.437 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.250 8.701 -2.789 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.746 6.600 -5.555 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.232 6.446 -4.611 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.416 7.245 0.402 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.385 7.307 1.475 1.00 0.00 C ATOM 1815 C LYS B 44 -4.821 8.074 2.662 1.00 0.00 C ATOM 1816 O LYS B 44 -5.434 9.010 3.164 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.776 5.891 1.906 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.906 5.822 2.927 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.157 4.394 3.379 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.532 3.481 2.215 1.00 0.00 C ATOM 1821 NZ LYS B 44 -8.760 3.917 1.508 1.00 0.00 N ATOM 0 H LYS B 44 -4.192 6.294 0.110 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.270 7.830 1.114 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.069 5.325 1.022 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.898 5.398 2.323 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.657 6.440 3.790 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.817 6.233 2.492 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.264 4.007 3.869 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.957 4.384 4.119 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -6.704 3.447 1.506 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -7.675 2.467 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.031 3.198 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.531 4.039 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.580 4.821 1.025 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.637 7.709 3.061 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.002 8.324 4.200 1.00 0.00 C ATOM 1837 C PHE B 45 -2.367 9.661 3.885 1.00 0.00 C ATOM 1838 O PHE B 45 -2.139 10.466 4.791 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.023 7.376 4.869 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.689 6.377 5.767 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.268 5.231 5.259 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.741 6.602 7.127 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.891 4.326 6.098 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.358 5.701 7.970 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.935 4.560 7.454 1.00 0.00 C ATOM 0 H PHE B 45 -3.083 6.980 2.611 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.799 8.538 4.912 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.459 6.846 4.102 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.305 7.955 5.450 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.234 5.040 4.197 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.293 7.495 7.537 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.344 3.435 5.689 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.389 5.889 9.033 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.419 3.853 8.111 1.00 0.00 H new ATOM 1855 N MET B 46 -2.088 9.909 2.622 1.00 0.00 N ATOM 1856 CA MET B 46 -1.518 11.173 2.220 1.00 0.00 C ATOM 1857 C MET B 46 -2.517 12.282 2.454 1.00 0.00 C ATOM 1858 O MET B 46 -2.187 13.289 3.089 1.00 0.00 O ATOM 1859 CB MET B 46 -1.055 11.170 0.757 1.00 0.00 C ATOM 1860 CG MET B 46 -0.004 10.118 0.445 1.00 0.00 C ATOM 1861 SD MET B 46 0.704 10.277 -1.195 1.00 0.00 S ATOM 1862 CE MET B 46 1.595 11.805 -1.001 1.00 0.00 C ATOM 0 H MET B 46 -2.247 9.251 1.859 1.00 0.00 H new ATOM 0 HA MET B 46 -0.631 11.342 2.831 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.919 11.008 0.113 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.654 12.153 0.511 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.794 10.183 1.184 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.451 9.129 0.545 1.00 0.00 H new ATOM 0 HE1 MET B 46 1.256 12.521 -1.750 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.413 12.208 -0.005 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.662 11.623 -1.130 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.755 12.069 1.998 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.821 13.081 2.167 1.00 0.00 C ATOM 1874 C ASN B 47 -6.177 12.590 1.689 1.00 0.00 C ATOM 1875 O ASN B 47 -7.204 13.177 1.982 1.00 0.00 O ATOM 1876 CB ASN B 47 -4.443 14.371 1.447 1.00 0.00 C ATOM 1877 CG ASN B 47 -5.321 15.567 1.819 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -6.342 15.843 1.180 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -4.933 16.287 2.841 1.00 0.00 N ATOM 0 H ASN B 47 -4.049 11.220 1.515 1.00 0.00 H new ATOM 0 HA ASN B 47 -4.911 13.272 3.236 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -3.404 14.611 1.673 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -4.506 14.207 0.371 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -5.478 17.100 3.129 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -4.086 16.035 3.350 1.00 0.00 H new ATOM 1886 N VAL B 48 -6.169 11.509 1.015 1.00 0.00 N ATOM 1887 CA VAL B 48 -7.373 10.946 0.393 1.00 0.00 C ATOM 1888 C VAL B 48 -7.941 9.916 1.333 1.00 0.00 C ATOM 1889 O VAL B 48 -7.909 8.707 1.104 1.00 0.00 O ATOM 1890 CB VAL B 48 -7.018 10.337 -0.972 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -8.234 9.893 -1.765 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -6.164 11.298 -1.770 1.00 0.00 C ATOM 0 H VAL B 48 -5.327 10.955 0.857 1.00 0.00 H new ATOM 0 HA VAL B 48 -8.121 11.719 0.216 1.00 0.00 H new ATOM 0 HB VAL B 48 -6.445 9.431 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -7.913 9.472 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.780 9.137 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.883 10.750 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -5.920 10.853 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.712 12.227 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.244 11.507 -1.224 1.00 0.00 H new ATOM 1902 N LYS B 49 -8.455 10.425 2.372 1.00 0.00 N ATOM 1903 CA LYS B 49 -8.790 9.644 3.531 1.00 0.00 C ATOM 1904 C LYS B 49 -10.263 9.618 3.858 1.00 0.00 C ATOM 1905 O LYS B 49 -10.692 8.907 4.774 1.00 0.00 O ATOM 1906 CB LYS B 49 -8.025 10.222 4.692 1.00 0.00 C ATOM 1907 CG LYS B 49 -8.286 11.711 4.862 1.00 0.00 C ATOM 1908 CD LYS B 49 -7.541 12.315 6.022 1.00 0.00 C ATOM 1909 CE LYS B 49 -7.913 13.786 6.190 1.00 0.00 C ATOM 1910 NZ LYS B 49 -9.371 13.980 6.449 1.00 0.00 N ATOM 0 H LYS B 49 -8.669 11.418 2.465 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.522 8.608 3.325 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -8.304 9.698 5.606 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.958 10.056 4.542 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -8.002 12.230 3.946 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -9.355 11.872 5.001 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -7.774 11.768 6.936 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -6.467 12.222 5.860 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -7.341 14.210 7.015 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -7.631 14.334 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.517 14.875 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.883 14.009 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.729 13.191 7.024 1.00 0.00 H new ATOM 1924 N ASP B 50 -11.017 10.358 3.147 1.00 0.00 N ATOM 1925 CA ASP B 50 -12.428 10.489 3.462 1.00 0.00 C ATOM 1926 C ASP B 50 -13.301 9.815 2.444 1.00 0.00 C ATOM 1927 O ASP B 50 -13.829 10.463 1.556 1.00 0.00 O ATOM 1928 CB ASP B 50 -12.863 11.955 3.666 1.00 0.00 C ATOM 1929 CG ASP B 50 -12.162 12.643 4.820 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -12.523 12.390 5.985 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -11.254 13.488 4.578 1.00 0.00 O ATOM 0 H ASP B 50 -10.705 10.893 2.337 1.00 0.00 H new ATOM 0 HA ASP B 50 -12.563 9.976 4.414 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -12.669 12.513 2.750 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -13.939 11.985 3.836 1.00 0.00 H new ATOM 1936 N LYS B 51 -13.395 8.476 2.566 1.00 0.00 N ATOM 1937 CA LYS B 51 -14.217 7.552 1.746 1.00 0.00 C ATOM 1938 C LYS B 51 -14.160 7.781 0.233 1.00 0.00 C ATOM 1939 O LYS B 51 -15.051 7.351 -0.523 1.00 0.00 O ATOM 1940 CB LYS B 51 -15.643 7.489 2.272 1.00 0.00 C ATOM 1941 CG LYS B 51 -16.377 8.812 2.317 1.00 0.00 C ATOM 1942 CD LYS B 51 -17.699 8.686 3.010 1.00 0.00 C ATOM 1943 CE LYS B 51 -17.543 8.234 4.457 1.00 0.00 C ATOM 1944 NZ LYS B 51 -18.831 8.177 5.156 1.00 0.00 N ATOM 0 H LYS B 51 -12.868 7.976 3.282 1.00 0.00 H new ATOM 0 HA LYS B 51 -13.753 6.573 1.866 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -16.212 6.798 1.650 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -15.623 7.069 3.278 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -15.764 9.551 2.833 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -16.531 9.178 1.302 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -18.215 9.646 2.983 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -18.324 7.973 2.472 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -17.073 7.251 4.481 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -16.876 8.919 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -18.680 7.865 6.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -19.268 9.121 5.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -19.459 7.504 4.672 1.00 0.00 H new ATOM 1958 N VAL B 52 -13.106 8.391 -0.210 1.00 0.00 N ATOM 1959 CA VAL B 52 -12.898 8.642 -1.598 1.00 0.00 C ATOM 1960 C VAL B 52 -11.792 7.753 -2.128 1.00 0.00 C ATOM 1961 O VAL B 52 -10.723 7.622 -1.511 1.00 0.00 O ATOM 1962 CB VAL B 52 -12.627 10.152 -1.904 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -13.892 10.962 -1.674 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -11.525 10.703 -1.016 1.00 0.00 C ATOM 0 H VAL B 52 -12.357 8.733 0.392 1.00 0.00 H new ATOM 0 HA VAL B 52 -13.822 8.395 -2.120 1.00 0.00 H new ATOM 0 HB VAL B 52 -12.314 10.230 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -13.696 12.012 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.681 10.598 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -14.208 10.857 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -11.359 11.754 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -11.818 10.607 0.029 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -10.606 10.143 -1.187 1.00 0.00 H new ATOM 1974 N HIS B 53 -12.079 7.088 -3.209 1.00 0.00 N ATOM 1975 CA HIS B 53 -11.138 6.191 -3.841 1.00 0.00 C ATOM 1976 C HIS B 53 -10.346 6.972 -4.856 1.00 0.00 C ATOM 1977 O HIS B 53 -9.123 6.844 -4.968 1.00 0.00 O ATOM 1978 CB HIS B 53 -11.895 5.028 -4.516 1.00 0.00 C ATOM 1979 CG HIS B 53 -11.021 3.939 -5.087 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -10.914 2.685 -4.540 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -10.227 3.930 -6.192 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -10.088 1.973 -5.294 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -9.637 2.680 -6.319 1.00 0.00 N ATOM 0 H HIS B 53 -12.979 7.149 -3.686 1.00 0.00 H new ATOM 0 HA HIS B 53 -10.461 5.767 -3.099 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -12.572 4.584 -3.786 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -12.513 5.434 -5.317 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -10.079 4.763 -6.863 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -9.817 0.946 -5.097 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -8.993 2.371 -7.047 1.00 0.00 H new ATOM 1991 N LYS B 54 -11.051 7.789 -5.557 1.00 0.00 N ATOM 1992 CA LYS B 54 -10.479 8.614 -6.578 1.00 0.00 C ATOM 1993 C LYS B 54 -9.920 9.883 -5.992 1.00 0.00 C ATOM 1994 O LYS B 54 -10.637 10.649 -5.337 1.00 0.00 O ATOM 1995 CB LYS B 54 -11.506 8.961 -7.670 1.00 0.00 C ATOM 1996 CG LYS B 54 -12.859 9.449 -7.143 1.00 0.00 C ATOM 1997 CD LYS B 54 -13.687 10.126 -8.224 1.00 0.00 C ATOM 1998 CE LYS B 54 -13.120 11.493 -8.571 1.00 0.00 C ATOM 1999 NZ LYS B 54 -13.880 12.160 -9.642 1.00 0.00 N ATOM 0 H LYS B 54 -12.057 7.909 -5.440 1.00 0.00 H new ATOM 0 HA LYS B 54 -9.671 8.042 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -11.084 9.731 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -11.669 8.079 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -13.415 8.604 -6.738 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -12.697 10.147 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -13.708 9.500 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -14.717 10.232 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -13.124 12.122 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -12.080 11.384 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -13.566 13.148 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -13.717 11.666 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -14.894 12.138 -9.413 1.00 0.00 H new ATOM 2013 N LEU B 55 -8.653 10.102 -6.183 1.00 0.00 N ATOM 2014 CA LEU B 55 -8.096 11.347 -5.787 1.00 0.00 C ATOM 2015 C LEU B 55 -8.352 12.341 -6.881 1.00 0.00 C ATOM 2016 O LEU B 55 -7.984 12.123 -8.036 1.00 0.00 O ATOM 2017 CB LEU B 55 -6.605 11.239 -5.350 1.00 0.00 C ATOM 2018 CG LEU B 55 -5.536 10.689 -6.329 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -5.119 11.706 -7.385 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -4.331 10.243 -5.547 1.00 0.00 C ATOM 0 H LEU B 55 -8.000 9.442 -6.605 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.588 11.700 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.284 12.237 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.576 10.614 -4.457 1.00 0.00 H new ATOM 0 HG LEU B 55 -5.982 9.848 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -4.369 11.263 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -5.989 11.997 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -4.700 12.586 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -3.576 9.855 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -3.921 11.090 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -4.621 9.460 -4.846 1.00 0.00 H new ATOM 2032 N GLU B 56 -9.050 13.377 -6.569 1.00 0.00 N ATOM 2033 CA GLU B 56 -9.375 14.333 -7.574 1.00 0.00 C ATOM 2034 C GLU B 56 -8.429 15.504 -7.488 1.00 0.00 C ATOM 2035 O GLU B 56 -8.740 16.570 -6.934 1.00 0.00 O ATOM 2036 CB GLU B 56 -10.851 14.730 -7.551 1.00 0.00 C ATOM 2037 CG GLU B 56 -11.301 15.481 -8.792 1.00 0.00 C ATOM 2038 CD GLU B 56 -12.779 15.726 -8.807 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -13.541 14.799 -9.166 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -13.212 16.845 -8.470 1.00 0.00 O ATOM 0 H GLU B 56 -9.405 13.585 -5.636 1.00 0.00 H new ATOM 0 HA GLU B 56 -9.236 13.873 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -11.458 13.831 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -11.038 15.350 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -10.777 16.435 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -11.021 14.913 -9.679 1.00 0.00 H new ATOM 2047 N HIS B 57 -7.227 15.218 -7.914 1.00 0.00 N ATOM 2048 CA HIS B 57 -6.130 16.149 -7.982 1.00 0.00 C ATOM 2049 C HIS B 57 -5.327 15.770 -9.196 1.00 0.00 C ATOM 2050 O HIS B 57 -4.516 14.845 -9.142 1.00 0.00 O ATOM 2051 CB HIS B 57 -5.196 16.064 -6.747 1.00 0.00 C ATOM 2052 CG HIS B 57 -5.786 16.446 -5.419 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -5.639 17.690 -4.843 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -6.492 15.708 -4.526 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -6.236 17.675 -3.655 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -6.774 16.489 -3.410 1.00 0.00 N ATOM 0 H HIS B 57 -6.974 14.285 -8.239 1.00 0.00 H new ATOM 0 HA HIS B 57 -6.528 17.163 -8.021 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -4.826 15.042 -6.672 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -4.332 16.703 -6.931 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -6.788 14.678 -4.660 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -6.277 18.517 -2.980 1.00 0.00 H new ATOM 0 HE2 HIS B 57 -7.289 16.207 -2.576 1.00 0.00 H new ATOM 2064 N HIS B 58 -5.587 16.398 -10.298 1.00 0.00 N ATOM 2065 CA HIS B 58 -4.887 16.044 -11.502 1.00 0.00 C ATOM 2066 C HIS B 58 -3.954 17.157 -11.909 1.00 0.00 C ATOM 2067 O HIS B 58 -4.379 18.294 -12.101 1.00 0.00 O ATOM 2068 CB HIS B 58 -5.865 15.694 -12.641 1.00 0.00 C ATOM 2069 CG HIS B 58 -5.188 15.160 -13.877 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -5.242 15.762 -15.108 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -4.438 14.039 -14.043 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -4.546 15.015 -15.970 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -4.033 13.949 -15.368 1.00 0.00 N ATOM 0 H HIS B 58 -6.269 17.150 -10.395 1.00 0.00 H new ATOM 0 HA HIS B 58 -4.294 15.152 -11.301 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -6.579 14.954 -12.280 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -6.435 16.585 -12.905 1.00 0.00 H new ATOM 0 HD1 HIS B 58 -5.730 16.631 -15.328 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -4.195 13.329 -13.266 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -4.418 15.248 -17.017 1.00 0.00 H new ATOM 2081 N HIS B 59 -2.694 16.833 -12.012 1.00 0.00 N ATOM 2082 CA HIS B 59 -1.690 17.789 -12.420 1.00 0.00 C ATOM 2083 C HIS B 59 -1.665 17.860 -13.930 1.00 0.00 C ATOM 2084 O HIS B 59 -1.260 16.902 -14.592 1.00 0.00 O ATOM 2085 CB HIS B 59 -0.292 17.388 -11.904 1.00 0.00 C ATOM 2086 CG HIS B 59 -0.146 17.360 -10.409 1.00 0.00 C ATOM 2087 ND1 HIS B 59 0.487 18.344 -9.679 1.00 0.00 N ATOM 2088 CD2 HIS B 59 -0.532 16.425 -9.513 1.00 0.00 C ATOM 2089 CE1 HIS B 59 0.470 17.984 -8.398 1.00 0.00 C ATOM 2090 NE2 HIS B 59 -0.141 16.825 -8.239 1.00 0.00 N ATOM 0 H HIS B 59 -2.330 15.900 -11.817 1.00 0.00 H new ATOM 0 HA HIS B 59 -1.943 18.761 -11.996 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -0.047 16.401 -12.296 1.00 0.00 H new ATOM 0 HB3 HIS B 59 0.442 18.084 -12.312 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -1.060 15.513 -9.748 1.00 0.00 H new ATOM 0 HE1 HIS B 59 0.900 18.564 -7.594 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -0.295 16.326 -7.363 1.00 0.00 H new ATOM 2098 N HIS B 60 -2.149 18.945 -14.477 1.00 0.00 N ATOM 2099 CA HIS B 60 -2.104 19.131 -15.906 1.00 0.00 C ATOM 2100 C HIS B 60 -0.810 19.775 -16.309 1.00 0.00 C ATOM 2101 O HIS B 60 -0.412 20.813 -15.758 1.00 0.00 O ATOM 2102 CB HIS B 60 -3.290 19.939 -16.444 1.00 0.00 C ATOM 2103 CG HIS B 60 -4.591 19.194 -16.474 1.00 0.00 C ATOM 2104 ND1 HIS B 60 -5.060 18.543 -17.589 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -5.537 19.020 -15.518 1.00 0.00 C ATOM 2106 CE1 HIS B 60 -6.237 18.012 -17.307 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -6.583 18.266 -16.050 1.00 0.00 N ATOM 0 H HIS B 60 -2.578 19.711 -13.958 1.00 0.00 H new ATOM 0 HA HIS B 60 -2.173 18.139 -16.352 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -3.412 20.832 -15.831 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -3.055 20.275 -17.454 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -5.488 19.403 -14.509 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -6.837 17.447 -18.005 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -7.435 17.971 -15.573 1.00 0.00 H new ATOM 2115 N HIS B 61 -0.133 19.134 -17.206 1.00 0.00 N ATOM 2116 CA HIS B 61 1.108 19.625 -17.753 1.00 0.00 C ATOM 2117 C HIS B 61 0.837 20.210 -19.124 1.00 0.00 C ATOM 2118 O HIS B 61 1.475 21.175 -19.548 1.00 0.00 O ATOM 2119 CB HIS B 61 2.149 18.493 -17.859 1.00 0.00 C ATOM 2120 CG HIS B 61 2.534 17.866 -16.542 1.00 0.00 C ATOM 2121 ND1 HIS B 61 3.715 18.122 -15.882 1.00 0.00 N ATOM 2122 CD2 HIS B 61 1.875 16.960 -15.773 1.00 0.00 C ATOM 2123 CE1 HIS B 61 3.741 17.394 -14.770 1.00 0.00 C ATOM 2124 NE2 HIS B 61 2.647 16.666 -14.652 1.00 0.00 N ATOM 0 H HIS B 61 -0.426 18.236 -17.592 1.00 0.00 H new ATOM 0 HA HIS B 61 1.513 20.391 -17.092 1.00 0.00 H new ATOM 0 HB2 HIS B 61 1.756 17.716 -18.515 1.00 0.00 H new ATOM 0 HB3 HIS B 61 3.047 18.887 -18.335 1.00 0.00 H new ATOM 0 HD2 HIS B 61 0.907 16.536 -15.996 1.00 0.00 H new ATOM 0 HE1 HIS B 61 4.552 17.398 -14.056 1.00 0.00 H new ATOM 0 HE2 HIS B 61 2.415 16.021 -13.896 1.00 0.00 H new ATOM 2132 N HIS B 62 -0.109 19.629 -19.811 1.00 0.00 N ATOM 2133 CA HIS B 62 -0.490 20.083 -21.123 1.00 0.00 C ATOM 2134 C HIS B 62 -1.875 20.661 -21.056 1.00 0.00 C ATOM 2135 O HIS B 62 -2.847 19.917 -21.234 1.00 0.00 O ATOM 2136 CB HIS B 62 -0.424 18.940 -22.153 1.00 0.00 C ATOM 2137 CG HIS B 62 0.953 18.390 -22.359 1.00 0.00 C ATOM 2138 ND1 HIS B 62 1.819 18.843 -23.324 1.00 0.00 N ATOM 2139 CD2 HIS B 62 1.614 17.416 -21.689 1.00 0.00 C ATOM 2140 CE1 HIS B 62 2.956 18.156 -23.216 1.00 0.00 C ATOM 2141 NE2 HIS B 62 2.886 17.270 -22.234 1.00 0.00 N ATOM 2142 OXT HIS B 62 -2.005 21.867 -20.761 1.00 0.00 O ATOM 0 H HIS B 62 -0.640 18.825 -19.476 1.00 0.00 H new ATOM 0 HA HIS B 62 0.211 20.851 -21.451 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -1.082 18.134 -21.830 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -0.807 19.301 -23.107 1.00 0.00 H new ATOM 0 HD2 HIS B 62 1.217 16.844 -20.863 1.00 0.00 H new ATOM 0 HE1 HIS B 62 3.821 18.303 -23.846 1.00 0.00 H new ATOM 0 HE2 HIS B 62 3.612 16.617 -21.939 1.00 0.00 H new TER 2150 HIS B 62