USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1094 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HD1:sc=-0.00498 K(o=-0.51,f=-1.5) USER MOD Set 1.2: B 46 MET CE :methyl -167:sc= -0.5 (180deg=-1.19) USER MOD Set 2.1: A 46 MET CE :methyl -131:sc= -1.68 (180deg=-4.81!) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.857 X(o=-2.5,f=-2.6) USER MOD Set 3.1: B 1 MET CE :methyl -162:sc= -0.0683 (180deg=-0.443) USER MOD Set 3.2: B 3 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 4.1: A 47 ASN : amide:sc= -0.159 K(o=0.56,f=-0.33) USER MOD Set 4.2: A 49 LYS NZ :NH3+ -169:sc= 0.719 (180deg=0.529) USER MOD Set 5.1: A 5 GLN : amide:sc= 0.428 K(o=1.3,f=-1.1) USER MOD Set 5.2: A 8 ASN : amide:sc= 0.859 K(o=1.3,f=-0.84) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.202 (180deg=-0.727) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.89 (180deg=0.292) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0322) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc=-0.00304 (180deg=-0.131) USER MOD Single : A 12 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.2!) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.06) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0.817 (180deg=0.494) USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= -1.19 (180deg=-2.79!) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -73:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.127) USER MOD Single : A 43 ASN : amide:sc= 1.18 K(o=1.2,f=-1.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 1.15 (180deg=0.524) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.168 F(o=-0.93,f=-0.17) USER MOD Single : A 60 HIS : no HD1:sc= -0.095 X(o=-0.095,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HE2:sc= -0.0997 K(o=-0.1,f=-3.8!) USER MOD Single : B 1 MET N :NH3+ -122:sc= 0.00746 (180deg=-0.0585) USER MOD Single : B 5 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.35) USER MOD Single : B 7 LYS NZ :NH3+ -165:sc= 1.2 (180deg=0.925) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : B 13 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.14) USER MOD Single : B 14 LYS NZ :NH3+ -153:sc= 2.04 (180deg=0.746) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= 0.524 K(o=0.52,f=0) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : B 30 LYS NZ :NH3+ -159:sc= 1.21 (180deg=1.07) USER MOD Single : B 35 SER OG : rot -91:sc= 1.25 USER MOD Single : B 40 LYS NZ :NH3+ -145:sc= 0.772 (180deg=-0.529) USER MOD Single : B 43 ASN : amide:sc= 1.19 K(o=1.2,f=-0.085) USER MOD Single : B 44 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0.729) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00228) USER MOD Single : B 51 LYS NZ :NH3+ 167:sc= -0.0174 (180deg=-0.2) USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.15) USER MOD Single : B 57 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.075) USER MOD Single : B 58 HIS : no HD1:sc= 0 X(o=0,f=-0.00034) USER MOD Single : B 59 HIS :FLIP no HD1:sc= -0.158 F(o=-0.71,f=-0.16) USER MOD Single : B 60 HIS : no HD1:sc=-0.00794 X(o=-0.0079,f=0) USER MOD Single : B 61 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=0) USER MOD Single : B 62 HIS : no HE2:sc= 0.13 K(o=0.13,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.277 -16.778 -0.015 1.00 0.00 N ATOM 2 CA MET A 1 19.463 -15.562 0.052 1.00 0.00 C ATOM 3 C MET A 1 18.163 -15.905 0.705 1.00 0.00 C ATOM 4 O MET A 1 17.867 -15.410 1.785 1.00 0.00 O ATOM 5 CB MET A 1 19.194 -14.977 -1.342 1.00 0.00 C ATOM 6 CG MET A 1 20.430 -14.551 -2.112 1.00 0.00 C ATOM 7 SD MET A 1 20.030 -13.896 -3.750 1.00 0.00 S ATOM 8 CE MET A 1 19.012 -12.480 -3.309 1.00 0.00 C ATOM 0 H1 MET A 1 21.277 -16.520 -0.141 1.00 0.00 H new ATOM 0 H2 MET A 1 20.167 -17.318 0.867 1.00 0.00 H new ATOM 0 H3 MET A 1 19.966 -17.360 -0.819 1.00 0.00 H new ATOM 0 HA MET A 1 20.005 -14.810 0.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.655 -15.718 -1.932 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.536 -14.114 -1.236 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.967 -13.793 -1.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.100 -15.404 -2.218 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.980 -11.780 -4.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.001 -12.816 -3.079 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.437 -11.984 -2.436 1.00 0.00 H new ATOM 20 N GLU A 2 17.388 -16.783 0.047 1.00 0.00 N ATOM 21 CA GLU A 2 16.139 -17.308 0.589 1.00 0.00 C ATOM 22 C GLU A 2 15.074 -16.232 0.683 1.00 0.00 C ATOM 23 O GLU A 2 15.300 -15.070 0.293 1.00 0.00 O ATOM 24 CB GLU A 2 16.364 -18.046 1.932 1.00 0.00 C ATOM 25 CG GLU A 2 17.167 -19.361 1.836 1.00 0.00 C ATOM 26 CD GLU A 2 18.536 -19.197 1.228 1.00 0.00 C ATOM 27 OE1 GLU A 2 19.464 -18.685 1.910 1.00 0.00 O ATOM 28 OE2 GLU A 2 18.708 -19.511 0.037 1.00 0.00 O ATOM 0 H GLU A 2 17.617 -17.145 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 2 15.763 -18.053 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.882 -17.373 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.392 -18.264 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.272 -19.785 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.600 -20.079 1.243 1.00 0.00 H new ATOM 35 N MET A 3 13.919 -16.600 1.148 1.00 0.00 N ATOM 36 CA MET A 3 12.810 -15.673 1.214 1.00 0.00 C ATOM 37 C MET A 3 12.926 -14.793 2.435 1.00 0.00 C ATOM 38 O MET A 3 12.329 -13.722 2.496 1.00 0.00 O ATOM 39 CB MET A 3 11.469 -16.412 1.205 1.00 0.00 C ATOM 40 CG MET A 3 11.239 -17.261 -0.037 1.00 0.00 C ATOM 41 SD MET A 3 9.686 -18.170 0.018 1.00 0.00 S ATOM 42 CE MET A 3 9.789 -19.080 -1.522 1.00 0.00 C ATOM 0 H MET A 3 13.711 -17.538 1.491 1.00 0.00 H new ATOM 0 HA MET A 3 12.848 -15.040 0.327 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.412 -17.052 2.086 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.663 -15.683 1.289 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.248 -16.619 -0.918 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.063 -17.965 -0.148 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.898 -19.696 -1.641 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.859 -18.380 -2.354 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.673 -19.718 -1.509 1.00 0.00 H new ATOM 52 N GLY A 4 13.720 -15.233 3.380 1.00 0.00 N ATOM 53 CA GLY A 4 13.911 -14.492 4.609 1.00 0.00 C ATOM 54 C GLY A 4 14.643 -13.199 4.361 1.00 0.00 C ATOM 55 O GLY A 4 14.166 -12.128 4.729 1.00 0.00 O ATOM 0 H GLY A 4 14.248 -16.104 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.943 -14.283 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.472 -15.100 5.319 1.00 0.00 H new ATOM 59 N GLN A 5 15.778 -13.282 3.685 1.00 0.00 N ATOM 60 CA GLN A 5 16.549 -12.087 3.354 1.00 0.00 C ATOM 61 C GLN A 5 15.848 -11.246 2.315 1.00 0.00 C ATOM 62 O GLN A 5 16.013 -10.024 2.272 1.00 0.00 O ATOM 63 CB GLN A 5 17.953 -12.429 2.902 1.00 0.00 C ATOM 64 CG GLN A 5 18.824 -12.968 4.015 1.00 0.00 C ATOM 65 CD GLN A 5 18.954 -11.990 5.178 1.00 0.00 C ATOM 66 OE1 GLN A 5 18.891 -10.765 5.001 1.00 0.00 O ATOM 67 NE2 GLN A 5 19.136 -12.504 6.359 1.00 0.00 N ATOM 0 H GLN A 5 16.186 -14.157 3.355 1.00 0.00 H new ATOM 0 HA GLN A 5 16.627 -11.500 4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.900 -13.167 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.420 -11.537 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.405 -13.906 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.815 -13.193 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.183 -13.517 6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 5 19.231 -11.895 7.171 1.00 0.00 H new ATOM 76 N LEU A 6 15.061 -11.895 1.490 1.00 0.00 N ATOM 77 CA LEU A 6 14.267 -11.211 0.497 1.00 0.00 C ATOM 78 C LEU A 6 13.206 -10.366 1.231 1.00 0.00 C ATOM 79 O LEU A 6 13.040 -9.177 0.954 1.00 0.00 O ATOM 80 CB LEU A 6 13.666 -12.264 -0.486 1.00 0.00 C ATOM 81 CG LEU A 6 12.804 -11.792 -1.685 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.396 -11.435 -1.265 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.459 -10.623 -2.409 1.00 0.00 C ATOM 0 H LEU A 6 14.953 -12.909 1.488 1.00 0.00 H new ATOM 0 HA LEU A 6 14.862 -10.528 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.496 -12.843 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.057 -12.949 0.103 1.00 0.00 H new ATOM 0 HG LEU A 6 12.738 -12.632 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.828 -11.110 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.915 -12.308 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.428 -10.629 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.831 -10.315 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.579 -9.789 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.436 -10.928 -2.783 1.00 0.00 H new ATOM 95 N LYS A 7 12.552 -10.974 2.210 1.00 0.00 N ATOM 96 CA LYS A 7 11.574 -10.290 3.043 1.00 0.00 C ATOM 97 C LYS A 7 12.222 -9.204 3.861 1.00 0.00 C ATOM 98 O LYS A 7 11.629 -8.163 4.093 1.00 0.00 O ATOM 99 CB LYS A 7 10.858 -11.268 3.963 1.00 0.00 C ATOM 100 CG LYS A 7 9.392 -11.400 3.656 1.00 0.00 C ATOM 101 CD LYS A 7 8.610 -10.117 3.973 1.00 0.00 C ATOM 102 CE LYS A 7 8.477 -9.872 5.472 1.00 0.00 C ATOM 103 NZ LYS A 7 7.562 -10.837 6.133 1.00 0.00 N ATOM 0 H LYS A 7 12.685 -11.957 2.449 1.00 0.00 H new ATOM 0 HA LYS A 7 10.841 -9.836 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.330 -12.247 3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.979 -10.941 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.265 -11.649 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.976 -12.227 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.111 -9.266 3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.617 -10.181 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.462 -9.936 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.112 -8.859 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.402 -10.545 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.654 -10.857 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.988 -11.786 6.118 1.00 0.00 H new ATOM 117 N ASN A 8 13.434 -9.459 4.282 1.00 0.00 N ATOM 118 CA ASN A 8 14.224 -8.506 5.046 1.00 0.00 C ATOM 119 C ASN A 8 14.432 -7.223 4.229 1.00 0.00 C ATOM 120 O ASN A 8 14.382 -6.109 4.764 1.00 0.00 O ATOM 121 CB ASN A 8 15.569 -9.145 5.430 1.00 0.00 C ATOM 122 CG ASN A 8 16.431 -8.277 6.321 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.929 -7.459 7.096 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.716 -8.478 6.257 1.00 0.00 N ATOM 0 H ASN A 8 13.913 -10.342 4.106 1.00 0.00 H new ATOM 0 HA ASN A 8 13.695 -8.240 5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.379 -10.091 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.123 -9.376 4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.346 -7.950 6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.093 -9.164 5.603 1.00 0.00 H new ATOM 131 N LYS A 9 14.632 -7.388 2.930 1.00 0.00 N ATOM 132 CA LYS A 9 14.783 -6.263 2.023 1.00 0.00 C ATOM 133 C LYS A 9 13.435 -5.616 1.704 1.00 0.00 C ATOM 134 O LYS A 9 13.350 -4.388 1.565 1.00 0.00 O ATOM 135 CB LYS A 9 15.537 -6.682 0.767 1.00 0.00 C ATOM 136 CG LYS A 9 16.974 -7.051 1.071 1.00 0.00 C ATOM 137 CD LYS A 9 17.727 -7.533 -0.145 1.00 0.00 C ATOM 138 CE LYS A 9 19.200 -7.745 0.181 1.00 0.00 C ATOM 139 NZ LYS A 9 19.412 -8.723 1.274 1.00 0.00 N ATOM 0 H LYS A 9 14.694 -8.300 2.478 1.00 0.00 H new ATOM 0 HA LYS A 9 15.381 -5.500 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.033 -7.532 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.516 -5.868 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.486 -6.184 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.990 -7.829 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.291 -8.466 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.629 -6.806 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.719 -8.089 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.646 -6.791 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.426 -8.943 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.076 -8.319 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.884 -9.595 1.067 1.00 0.00 H new ATOM 153 N ILE A 10 12.386 -6.440 1.606 1.00 0.00 N ATOM 154 CA ILE A 10 11.009 -5.945 1.430 1.00 0.00 C ATOM 155 C ILE A 10 10.659 -5.009 2.581 1.00 0.00 C ATOM 156 O ILE A 10 10.225 -3.883 2.360 1.00 0.00 O ATOM 157 CB ILE A 10 9.970 -7.119 1.356 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.158 -7.927 0.067 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.526 -6.625 1.481 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.181 -9.075 -0.099 1.00 0.00 C ATOM 0 H ILE A 10 12.461 -7.456 1.645 1.00 0.00 H new ATOM 0 HA ILE A 10 10.960 -5.407 0.483 1.00 0.00 H new ATOM 0 HB ILE A 10 10.160 -7.770 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.060 -7.256 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.173 -8.323 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.845 -7.474 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.396 -6.119 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.308 -5.930 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.384 -9.593 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.293 -9.771 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.163 -8.687 -0.112 1.00 0.00 H new ATOM 172 N GLU A 11 10.905 -5.482 3.799 1.00 0.00 N ATOM 173 CA GLU A 11 10.685 -4.717 5.020 1.00 0.00 C ATOM 174 C GLU A 11 11.441 -3.407 4.991 1.00 0.00 C ATOM 175 O GLU A 11 10.877 -2.354 5.261 1.00 0.00 O ATOM 176 CB GLU A 11 11.126 -5.532 6.227 1.00 0.00 C ATOM 177 CG GLU A 11 10.232 -6.714 6.533 1.00 0.00 C ATOM 178 CD GLU A 11 8.840 -6.281 6.867 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.647 -5.668 7.927 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.907 -6.531 6.086 1.00 0.00 O ATOM 0 H GLU A 11 11.268 -6.420 3.967 1.00 0.00 H new ATOM 0 HA GLU A 11 9.620 -4.497 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.141 -5.892 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.160 -4.880 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.209 -7.385 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.648 -7.279 7.367 1.00 0.00 H new ATOM 187 N ASN A 12 12.699 -3.495 4.635 1.00 0.00 N ATOM 188 CA ASN A 12 13.595 -2.346 4.548 1.00 0.00 C ATOM 189 C ASN A 12 13.021 -1.289 3.607 1.00 0.00 C ATOM 190 O ASN A 12 12.826 -0.138 4.004 1.00 0.00 O ATOM 191 CB ASN A 12 14.975 -2.824 4.047 1.00 0.00 C ATOM 192 CG ASN A 12 16.084 -1.761 4.024 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.848 -0.563 3.851 1.00 0.00 O ATOM 194 ND2 ASN A 12 17.306 -2.208 4.173 1.00 0.00 N ATOM 0 H ASN A 12 13.146 -4.379 4.391 1.00 0.00 H new ATOM 0 HA ASN A 12 13.702 -1.893 5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.303 -3.650 4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.857 -3.220 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.093 -1.560 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.471 -3.205 4.315 1.00 0.00 H new ATOM 201 N LYS A 13 12.688 -1.704 2.396 1.00 0.00 N ATOM 202 CA LYS A 13 12.223 -0.787 1.366 1.00 0.00 C ATOM 203 C LYS A 13 10.819 -0.240 1.711 1.00 0.00 C ATOM 204 O LYS A 13 10.510 0.920 1.438 1.00 0.00 O ATOM 205 CB LYS A 13 12.241 -1.489 -0.001 1.00 0.00 C ATOM 206 CG LYS A 13 12.204 -0.551 -1.211 1.00 0.00 C ATOM 207 CD LYS A 13 13.412 0.402 -1.234 1.00 0.00 C ATOM 208 CE LYS A 13 14.759 -0.305 -1.414 1.00 0.00 C ATOM 209 NZ LYS A 13 14.991 -0.768 -2.807 1.00 0.00 N ATOM 0 H LYS A 13 12.731 -2.679 2.099 1.00 0.00 H new ATOM 0 HA LYS A 13 12.897 0.069 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.138 -2.104 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.387 -2.164 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.189 -1.141 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.283 0.031 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.280 1.121 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.432 0.969 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.561 0.374 -1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.807 -1.160 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.850 -1.354 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.176 -1.330 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.110 0.055 -3.431 1.00 0.00 H new ATOM 223 N LYS A 14 10.004 -1.090 2.324 1.00 0.00 N ATOM 224 CA LYS A 14 8.691 -0.747 2.825 1.00 0.00 C ATOM 225 C LYS A 14 8.822 0.392 3.826 1.00 0.00 C ATOM 226 O LYS A 14 8.143 1.395 3.725 1.00 0.00 O ATOM 227 CB LYS A 14 8.094 -1.981 3.537 1.00 0.00 C ATOM 228 CG LYS A 14 6.658 -1.836 4.010 1.00 0.00 C ATOM 229 CD LYS A 14 6.189 -3.057 4.812 1.00 0.00 C ATOM 230 CE LYS A 14 6.850 -3.131 6.179 1.00 0.00 C ATOM 231 NZ LYS A 14 6.470 -4.351 6.926 1.00 0.00 N ATOM 0 H LYS A 14 10.252 -2.066 2.488 1.00 0.00 H new ATOM 0 HA LYS A 14 8.044 -0.441 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.150 -2.832 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.719 -2.219 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.568 -0.942 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.005 -1.696 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.107 -3.016 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.412 -3.965 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.933 -3.106 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.574 -2.252 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.035 -4.415 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.460 -4.308 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.648 -5.189 6.336 1.00 0.00 H new ATOM 245 N LYS A 15 9.744 0.232 4.768 1.00 0.00 N ATOM 246 CA LYS A 15 9.974 1.222 5.812 1.00 0.00 C ATOM 247 C LYS A 15 10.543 2.504 5.252 1.00 0.00 C ATOM 248 O LYS A 15 10.211 3.577 5.732 1.00 0.00 O ATOM 249 CB LYS A 15 10.850 0.662 6.916 1.00 0.00 C ATOM 250 CG LYS A 15 10.204 -0.506 7.644 1.00 0.00 C ATOM 251 CD LYS A 15 11.109 -1.131 8.699 1.00 0.00 C ATOM 252 CE LYS A 15 11.195 -0.316 10.014 1.00 0.00 C ATOM 253 NZ LYS A 15 11.779 1.048 9.863 1.00 0.00 N ATOM 0 H LYS A 15 10.351 -0.585 4.829 1.00 0.00 H new ATOM 0 HA LYS A 15 9.005 1.465 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.800 0.339 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.074 1.452 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.284 -0.165 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.924 -1.268 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.746 -2.133 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.111 -1.241 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.194 -0.223 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.793 -0.875 10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.218 1.339 10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.499 1.036 9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.028 1.721 9.611 1.00 0.00 H new ATOM 267 N GLU A 16 11.380 2.386 4.219 1.00 0.00 N ATOM 268 CA GLU A 16 11.907 3.555 3.504 1.00 0.00 C ATOM 269 C GLU A 16 10.745 4.401 3.021 1.00 0.00 C ATOM 270 O GLU A 16 10.724 5.614 3.176 1.00 0.00 O ATOM 271 CB GLU A 16 12.731 3.118 2.288 1.00 0.00 C ATOM 272 CG GLU A 16 14.013 2.385 2.598 1.00 0.00 C ATOM 273 CD GLU A 16 15.025 3.275 3.240 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.811 3.906 2.510 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.054 3.374 4.478 1.00 0.00 O ATOM 0 H GLU A 16 11.709 1.491 3.857 1.00 0.00 H new ATOM 0 HA GLU A 16 12.544 4.123 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.110 2.478 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.973 4.002 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.799 1.544 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.426 1.971 1.678 1.00 0.00 H new ATOM 282 N LEU A 17 9.766 3.730 2.482 1.00 0.00 N ATOM 283 CA LEU A 17 8.592 4.357 1.974 1.00 0.00 C ATOM 284 C LEU A 17 7.719 4.883 3.102 1.00 0.00 C ATOM 285 O LEU A 17 7.192 5.993 3.013 1.00 0.00 O ATOM 286 CB LEU A 17 7.853 3.371 1.030 1.00 0.00 C ATOM 287 CG LEU A 17 6.398 3.654 0.632 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.429 3.262 1.712 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.199 5.082 0.154 1.00 0.00 C ATOM 0 H LEU A 17 9.768 2.715 2.385 1.00 0.00 H new ATOM 0 HA LEU A 17 8.864 5.233 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.435 3.300 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.878 2.388 1.500 1.00 0.00 H new ATOM 0 HG LEU A 17 6.176 3.016 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.412 3.481 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.523 2.195 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.648 3.825 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.154 5.233 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.471 5.774 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.829 5.265 -0.717 1.00 0.00 H new ATOM 301 N ILE A 18 7.560 4.097 4.147 1.00 0.00 N ATOM 302 CA ILE A 18 6.728 4.498 5.261 1.00 0.00 C ATOM 303 C ILE A 18 7.265 5.790 5.876 1.00 0.00 C ATOM 304 O ILE A 18 6.508 6.707 6.146 1.00 0.00 O ATOM 305 CB ILE A 18 6.613 3.404 6.353 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.993 2.130 5.776 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.752 3.916 7.516 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.136 0.929 6.673 1.00 0.00 C ATOM 0 H ILE A 18 7.995 3.180 4.248 1.00 0.00 H new ATOM 0 HA ILE A 18 5.726 4.660 4.864 1.00 0.00 H new ATOM 0 HB ILE A 18 7.614 3.172 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.934 2.306 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.459 1.912 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.675 3.142 8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.213 4.806 7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.756 4.164 7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.673 0.064 6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.193 0.727 6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.645 1.126 7.626 1.00 0.00 H new ATOM 320 N GLN A 19 8.582 5.864 6.037 1.00 0.00 N ATOM 321 CA GLN A 19 9.225 7.053 6.571 1.00 0.00 C ATOM 322 C GLN A 19 9.008 8.255 5.643 1.00 0.00 C ATOM 323 O GLN A 19 8.879 9.394 6.103 1.00 0.00 O ATOM 324 CB GLN A 19 10.713 6.801 6.825 1.00 0.00 C ATOM 325 CG GLN A 19 10.969 5.731 7.889 1.00 0.00 C ATOM 326 CD GLN A 19 12.443 5.429 8.118 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.297 6.417 7.941 1.00 0.00 O flip ATOM 328 NE2 GLN A 19 12.809 4.307 8.463 1.00 0.00 N flip ATOM 0 H GLN A 19 9.226 5.108 5.803 1.00 0.00 H new ATOM 0 HA GLN A 19 8.763 7.290 7.530 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.188 6.498 5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.185 7.733 7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.524 6.055 8.830 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.461 4.812 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.122 3.564 8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.799 4.120 8.621 1.00 0.00 H new ATOM 337 N LEU A 20 8.948 7.982 4.350 1.00 0.00 N ATOM 338 CA LEU A 20 8.652 8.995 3.345 1.00 0.00 C ATOM 339 C LEU A 20 7.215 9.513 3.466 1.00 0.00 C ATOM 340 O LEU A 20 7.015 10.726 3.580 1.00 0.00 O ATOM 341 CB LEU A 20 8.922 8.473 1.937 1.00 0.00 C ATOM 342 CG LEU A 20 10.292 8.781 1.295 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.442 8.543 2.237 1.00 0.00 C ATOM 344 CD2 LEU A 20 10.474 7.925 0.064 1.00 0.00 C ATOM 0 H LEU A 20 9.103 7.050 3.965 1.00 0.00 H new ATOM 0 HA LEU A 20 9.322 9.835 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.798 7.390 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.149 8.872 1.280 1.00 0.00 H new ATOM 0 HG LEU A 20 10.295 9.840 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.380 8.776 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.333 9.182 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.447 7.498 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.441 8.142 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.432 6.872 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.681 8.142 -0.651 1.00 0.00 H new ATOM 356 N VAL A 21 6.201 8.622 3.439 1.00 0.00 N ATOM 357 CA VAL A 21 4.837 9.087 3.611 1.00 0.00 C ATOM 358 C VAL A 21 4.626 9.749 4.994 1.00 0.00 C ATOM 359 O VAL A 21 3.841 10.675 5.140 1.00 0.00 O ATOM 360 CB VAL A 21 3.788 7.978 3.388 1.00 0.00 C ATOM 361 CG1 VAL A 21 3.991 7.260 2.102 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.665 7.020 4.527 1.00 0.00 C ATOM 0 H VAL A 21 6.308 7.617 3.304 1.00 0.00 H new ATOM 0 HA VAL A 21 4.685 9.838 2.836 1.00 0.00 H new ATOM 0 HB VAL A 21 2.835 8.504 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.228 6.489 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.916 7.966 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.978 6.797 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.908 6.272 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.623 6.527 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.374 7.561 5.428 1.00 0.00 H new ATOM 372 N ALA A 22 5.345 9.270 5.984 1.00 0.00 N ATOM 373 CA ALA A 22 5.261 9.778 7.333 1.00 0.00 C ATOM 374 C ALA A 22 5.676 11.242 7.401 1.00 0.00 C ATOM 375 O ALA A 22 4.942 12.092 7.936 1.00 0.00 O ATOM 376 CB ALA A 22 6.115 8.930 8.243 1.00 0.00 C ATOM 0 H ALA A 22 6.013 8.507 5.873 1.00 0.00 H new ATOM 0 HA ALA A 22 4.224 9.723 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.052 9.313 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.760 7.900 8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.151 8.964 7.906 1.00 0.00 H new ATOM 382 N ARG A 23 6.811 11.552 6.799 1.00 0.00 N ATOM 383 CA ARG A 23 7.344 12.911 6.793 1.00 0.00 C ATOM 384 C ARG A 23 6.488 13.871 5.976 1.00 0.00 C ATOM 385 O ARG A 23 6.602 15.084 6.126 1.00 0.00 O ATOM 386 CB ARG A 23 8.814 12.961 6.398 1.00 0.00 C ATOM 387 CG ARG A 23 9.136 12.367 5.060 1.00 0.00 C ATOM 388 CD ARG A 23 10.629 12.355 4.811 1.00 0.00 C ATOM 389 NE ARG A 23 11.359 11.631 5.864 1.00 0.00 N ATOM 390 CZ ARG A 23 12.642 11.296 5.803 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.348 11.563 4.716 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.219 10.690 6.834 1.00 0.00 N ATOM 0 H ARG A 23 7.390 10.875 6.302 1.00 0.00 H new ATOM 0 HA ARG A 23 7.294 13.260 7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.140 14.001 6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.396 12.440 7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.748 11.350 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.639 12.938 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.832 11.891 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.995 13.380 4.756 1.00 0.00 H new ATOM 0 HE ARG A 23 10.841 11.367 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.906 12.027 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.334 11.304 4.672 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.676 10.482 7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.205 10.432 6.788 1.00 0.00 H new ATOM 406 N HIS A 24 5.648 13.316 5.099 1.00 0.00 N ATOM 407 CA HIS A 24 4.667 14.099 4.340 1.00 0.00 C ATOM 408 C HIS A 24 3.782 14.918 5.291 1.00 0.00 C ATOM 409 O HIS A 24 3.432 16.060 4.996 1.00 0.00 O ATOM 410 CB HIS A 24 3.787 13.160 3.479 1.00 0.00 C ATOM 411 CG HIS A 24 2.542 13.790 2.883 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.271 13.603 3.387 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.395 14.595 1.809 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.419 14.286 2.625 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.051 14.912 1.647 1.00 0.00 N ATOM 0 H HIS A 24 5.628 12.317 4.895 1.00 0.00 H new ATOM 0 HA HIS A 24 5.204 14.784 3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.397 12.765 2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.485 12.311 4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.198 14.940 1.174 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.648 14.324 2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.639 15.503 0.925 1.00 0.00 H new ATOM 423 N GLY A 25 3.452 14.340 6.431 1.00 0.00 N ATOM 424 CA GLY A 25 2.599 15.036 7.353 1.00 0.00 C ATOM 425 C GLY A 25 1.824 14.115 8.246 1.00 0.00 C ATOM 426 O GLY A 25 1.160 14.578 9.175 1.00 0.00 O ATOM 0 H GLY A 25 3.757 13.413 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.205 15.703 7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.903 15.661 6.794 1.00 0.00 H new ATOM 430 N LEU A 26 1.872 12.819 7.952 1.00 0.00 N ATOM 431 CA LEU A 26 1.218 11.820 8.750 1.00 0.00 C ATOM 432 C LEU A 26 1.623 11.857 10.198 1.00 0.00 C ATOM 433 O LEU A 26 2.794 12.083 10.544 1.00 0.00 O ATOM 434 CB LEU A 26 1.492 10.434 8.217 1.00 0.00 C ATOM 435 CG LEU A 26 0.619 9.939 7.079 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.786 10.732 5.804 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.832 8.461 6.871 1.00 0.00 C ATOM 0 H LEU A 26 2.372 12.443 7.146 1.00 0.00 H new ATOM 0 HA LEU A 26 0.155 12.052 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.530 10.400 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.398 9.730 9.044 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.419 10.101 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.132 10.323 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.524 11.774 5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.822 10.671 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.201 8.114 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.878 8.275 6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.571 7.924 7.783 1.00 0.00 H new ATOM 449 N ASP A 27 0.656 11.640 11.022 1.00 0.00 N ATOM 450 CA ASP A 27 0.858 11.532 12.450 1.00 0.00 C ATOM 451 C ASP A 27 1.435 10.196 12.771 1.00 0.00 C ATOM 452 O ASP A 27 1.351 9.274 11.964 1.00 0.00 O ATOM 453 CB ASP A 27 -0.452 11.702 13.222 1.00 0.00 C ATOM 454 CG ASP A 27 -0.884 13.125 13.343 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.608 13.613 12.467 1.00 0.00 O ATOM 456 OD2 ASP A 27 -0.519 13.783 14.335 1.00 0.00 O ATOM 0 H ASP A 27 -0.316 11.529 10.732 1.00 0.00 H new ATOM 0 HA ASP A 27 1.540 12.328 12.750 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.236 11.132 12.723 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.336 11.279 14.220 1.00 0.00 H new ATOM 461 N HIS A 28 1.974 10.075 13.952 1.00 0.00 N ATOM 462 CA HIS A 28 2.570 8.828 14.421 1.00 0.00 C ATOM 463 C HIS A 28 1.543 7.701 14.396 1.00 0.00 C ATOM 464 O HIS A 28 1.836 6.579 13.982 1.00 0.00 O ATOM 465 CB HIS A 28 3.139 9.014 15.829 1.00 0.00 C ATOM 466 CG HIS A 28 4.299 9.963 15.889 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.187 11.328 16.086 1.00 0.00 N ATOM 468 CD2 HIS A 28 5.614 9.716 15.747 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.422 11.849 16.047 1.00 0.00 C ATOM 470 NE2 HIS A 28 6.330 10.906 15.843 1.00 0.00 N ATOM 0 H HIS A 28 2.019 10.836 14.630 1.00 0.00 H new ATOM 0 HA HIS A 28 3.386 8.556 13.751 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.349 9.378 16.486 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.453 8.045 16.215 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.049 8.741 15.583 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.647 12.899 16.166 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.340 11.026 15.771 1.00 0.00 H new ATOM 478 N ASP A 29 0.321 8.035 14.774 1.00 0.00 N ATOM 479 CA ASP A 29 -0.785 7.096 14.780 1.00 0.00 C ATOM 480 C ASP A 29 -1.132 6.680 13.369 1.00 0.00 C ATOM 481 O ASP A 29 -1.468 5.527 13.117 1.00 0.00 O ATOM 482 CB ASP A 29 -2.006 7.703 15.474 1.00 0.00 C ATOM 483 CG ASP A 29 -1.792 7.898 16.956 1.00 0.00 C ATOM 484 OD1 ASP A 29 -1.082 8.850 17.358 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.307 7.094 17.744 1.00 0.00 O ATOM 0 H ASP A 29 0.068 8.972 15.087 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.479 6.211 15.338 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.241 8.663 15.015 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.868 7.055 15.317 1.00 0.00 H new ATOM 490 N LYS A 30 -1.000 7.617 12.440 1.00 0.00 N ATOM 491 CA LYS A 30 -1.254 7.350 11.031 1.00 0.00 C ATOM 492 C LYS A 30 -0.206 6.405 10.483 1.00 0.00 C ATOM 493 O LYS A 30 -0.517 5.522 9.700 1.00 0.00 O ATOM 494 CB LYS A 30 -1.240 8.635 10.210 1.00 0.00 C ATOM 495 CG LYS A 30 -2.393 9.585 10.461 1.00 0.00 C ATOM 496 CD LYS A 30 -3.725 9.008 10.000 1.00 0.00 C ATOM 497 CE LYS A 30 -4.828 10.043 10.128 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.137 9.519 9.696 1.00 0.00 N ATOM 0 H LYS A 30 -0.716 8.576 12.639 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.242 6.897 10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.308 9.163 10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.235 8.369 9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.447 9.814 11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.207 10.525 9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.646 8.679 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.972 8.129 10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.895 10.374 11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.574 10.918 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.859 10.260 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.082 9.227 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.394 8.700 10.283 1.00 0.00 H new ATOM 512 N VAL A 31 1.032 6.587 10.918 1.00 0.00 N ATOM 513 CA VAL A 31 2.134 5.754 10.485 1.00 0.00 C ATOM 514 C VAL A 31 1.910 4.319 10.944 1.00 0.00 C ATOM 515 O VAL A 31 2.149 3.380 10.196 1.00 0.00 O ATOM 516 CB VAL A 31 3.494 6.309 10.995 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.659 5.422 10.587 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.699 7.712 10.466 1.00 0.00 C ATOM 0 H VAL A 31 1.296 7.316 11.580 1.00 0.00 H new ATOM 0 HA VAL A 31 2.173 5.765 9.396 1.00 0.00 H new ATOM 0 HB VAL A 31 3.463 6.324 12.084 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.589 5.847 10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.520 4.425 11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.704 5.358 9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.653 8.100 10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.701 7.693 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.891 8.355 10.816 1.00 0.00 H new ATOM 528 N LEU A 32 1.398 4.165 12.157 1.00 0.00 N ATOM 529 CA LEU A 32 1.044 2.848 12.709 1.00 0.00 C ATOM 530 C LEU A 32 0.004 2.177 11.850 1.00 0.00 C ATOM 531 O LEU A 32 0.147 1.018 11.478 1.00 0.00 O ATOM 532 CB LEU A 32 0.496 3.002 14.113 1.00 0.00 C ATOM 533 CG LEU A 32 1.425 3.648 15.119 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.727 3.773 16.441 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.704 2.842 15.258 1.00 0.00 C ATOM 0 H LEU A 32 1.213 4.942 12.791 1.00 0.00 H new ATOM 0 HA LEU A 32 1.945 2.235 12.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.419 3.592 14.062 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.219 2.015 14.484 1.00 0.00 H new ATOM 0 HG LEU A 32 1.694 4.644 14.768 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.397 4.238 17.164 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.165 4.389 16.325 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.441 2.783 16.796 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.359 3.322 15.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.464 1.834 15.596 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.209 2.791 14.293 1.00 0.00 H new ATOM 547 N LEU A 33 -1.018 2.925 11.517 1.00 0.00 N ATOM 548 CA LEU A 33 -2.111 2.435 10.697 1.00 0.00 C ATOM 549 C LEU A 33 -1.618 2.078 9.303 1.00 0.00 C ATOM 550 O LEU A 33 -1.913 1.004 8.792 1.00 0.00 O ATOM 551 CB LEU A 33 -3.210 3.490 10.617 1.00 0.00 C ATOM 552 CG LEU A 33 -3.864 3.887 11.940 1.00 0.00 C ATOM 553 CD1 LEU A 33 -4.744 5.113 11.759 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.678 2.734 12.492 1.00 0.00 C ATOM 0 H LEU A 33 -1.121 3.898 11.806 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.516 1.533 11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.791 4.386 10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.988 3.124 9.947 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.075 4.132 12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.200 5.378 12.713 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.138 5.946 11.402 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.526 4.895 11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.138 3.032 13.434 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.456 2.463 11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.026 1.877 12.661 1.00 0.00 H new ATOM 566 N PHE A 34 -0.842 2.967 8.719 1.00 0.00 N ATOM 567 CA PHE A 34 -0.313 2.767 7.390 1.00 0.00 C ATOM 568 C PHE A 34 0.621 1.563 7.336 1.00 0.00 C ATOM 569 O PHE A 34 0.461 0.698 6.485 1.00 0.00 O ATOM 570 CB PHE A 34 0.396 4.034 6.883 1.00 0.00 C ATOM 571 CG PHE A 34 0.978 3.884 5.504 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.167 3.934 4.388 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.335 3.688 5.327 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.693 3.782 3.129 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.863 3.538 4.071 1.00 0.00 C ATOM 576 CZ PHE A 34 2.043 3.588 2.974 1.00 0.00 C ATOM 0 H PHE A 34 -0.562 3.847 9.153 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.155 2.561 6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.313 4.862 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.193 4.298 7.578 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.894 4.095 4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.986 3.653 6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.047 3.815 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.924 3.381 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.460 3.474 1.984 1.00 0.00 H new ATOM 586 N SER A 35 1.563 1.491 8.268 1.00 0.00 N ATOM 587 CA SER A 35 2.547 0.427 8.280 1.00 0.00 C ATOM 588 C SER A 35 1.911 -0.953 8.418 1.00 0.00 C ATOM 589 O SER A 35 2.313 -1.892 7.731 1.00 0.00 O ATOM 590 CB SER A 35 3.626 0.676 9.354 1.00 0.00 C ATOM 591 OG SER A 35 3.051 0.923 10.631 1.00 0.00 O ATOM 0 H SER A 35 1.663 2.164 9.028 1.00 0.00 H new ATOM 0 HA SER A 35 3.042 0.438 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.286 -0.189 9.414 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.241 1.527 9.061 1.00 0.00 H new ATOM 0 HG SER A 35 2.645 1.815 10.640 1.00 0.00 H new ATOM 597 N ARG A 36 0.891 -1.062 9.259 1.00 0.00 N ATOM 598 CA ARG A 36 0.242 -2.339 9.471 1.00 0.00 C ATOM 599 C ARG A 36 -0.634 -2.725 8.282 1.00 0.00 C ATOM 600 O ARG A 36 -0.621 -3.871 7.852 1.00 0.00 O ATOM 601 CB ARG A 36 -0.545 -2.359 10.790 1.00 0.00 C ATOM 602 CG ARG A 36 -1.713 -1.397 10.868 1.00 0.00 C ATOM 603 CD ARG A 36 -2.294 -1.345 12.265 1.00 0.00 C ATOM 604 NE ARG A 36 -2.819 -2.658 12.714 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.710 -2.834 13.712 1.00 0.00 C ATOM 606 NH1 ARG A 36 -4.129 -1.793 14.424 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.166 -4.053 14.009 1.00 0.00 N ATOM 0 H ARG A 36 0.502 -0.288 9.798 1.00 0.00 H new ATOM 0 HA ARG A 36 1.024 -3.094 9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.918 -3.370 10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.142 -2.136 11.606 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.386 -0.401 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.486 -1.702 10.162 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.526 -1.007 12.961 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.097 -0.608 12.294 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.481 -3.491 12.232 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.777 -0.858 14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.803 -1.929 15.178 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.841 -4.862 13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.839 -4.175 14.765 1.00 0.00 H new ATOM 621 N ASP A 37 -1.339 -1.747 7.718 1.00 0.00 N ATOM 622 CA ASP A 37 -2.254 -1.973 6.581 1.00 0.00 C ATOM 623 C ASP A 37 -1.431 -2.397 5.362 1.00 0.00 C ATOM 624 O ASP A 37 -1.810 -3.300 4.595 1.00 0.00 O ATOM 625 CB ASP A 37 -3.010 -0.670 6.280 1.00 0.00 C ATOM 626 CG ASP A 37 -4.287 -0.843 5.468 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.715 -1.974 5.226 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.931 0.185 5.135 1.00 0.00 O ATOM 0 H ASP A 37 -1.299 -0.776 8.028 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.973 -2.756 6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.260 -0.185 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.343 0.004 5.742 1.00 0.00 H new ATOM 633 N LEU A 38 -0.279 -1.757 5.229 1.00 0.00 N ATOM 634 CA LEU A 38 0.689 -2.034 4.178 1.00 0.00 C ATOM 635 C LEU A 38 1.293 -3.415 4.355 1.00 0.00 C ATOM 636 O LEU A 38 1.423 -4.177 3.395 1.00 0.00 O ATOM 637 CB LEU A 38 1.773 -0.938 4.196 1.00 0.00 C ATOM 638 CG LEU A 38 3.003 -1.109 3.298 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.618 -1.318 1.856 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.885 0.114 3.415 1.00 0.00 C ATOM 0 H LEU A 38 0.016 -1.014 5.863 1.00 0.00 H new ATOM 0 HA LEU A 38 0.192 -2.024 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.296 0.004 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.124 -0.836 5.223 1.00 0.00 H new ATOM 0 HG LEU A 38 3.542 -1.996 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.518 -1.435 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.004 -2.215 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.053 -0.456 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.760 -0.006 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.327 0.996 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.205 0.234 4.450 1.00 0.00 H new ATOM 652 N ASP A 39 1.625 -3.738 5.583 1.00 0.00 N ATOM 653 CA ASP A 39 2.213 -5.026 5.923 1.00 0.00 C ATOM 654 C ASP A 39 1.245 -6.152 5.563 1.00 0.00 C ATOM 655 O ASP A 39 1.635 -7.174 4.980 1.00 0.00 O ATOM 656 CB ASP A 39 2.533 -5.057 7.413 1.00 0.00 C ATOM 657 CG ASP A 39 3.314 -6.263 7.831 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.566 -6.208 7.772 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.718 -7.255 8.271 1.00 0.00 O ATOM 0 H ASP A 39 1.497 -3.117 6.382 1.00 0.00 H new ATOM 0 HA ASP A 39 3.134 -5.168 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.096 -4.161 7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.601 -5.024 7.977 1.00 0.00 H new ATOM 664 N LYS A 40 -0.024 -5.928 5.865 1.00 0.00 N ATOM 665 CA LYS A 40 -1.091 -6.876 5.564 1.00 0.00 C ATOM 666 C LYS A 40 -1.266 -7.052 4.056 1.00 0.00 C ATOM 667 O LYS A 40 -1.464 -8.169 3.574 1.00 0.00 O ATOM 668 CB LYS A 40 -2.401 -6.408 6.190 1.00 0.00 C ATOM 669 CG LYS A 40 -2.384 -6.390 7.718 1.00 0.00 C ATOM 670 CD LYS A 40 -3.627 -5.724 8.313 1.00 0.00 C ATOM 671 CE LYS A 40 -4.910 -6.468 7.976 1.00 0.00 C ATOM 672 NZ LYS A 40 -4.915 -7.844 8.520 1.00 0.00 N ATOM 0 H LYS A 40 -0.347 -5.079 6.329 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.814 -7.841 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.628 -5.406 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.207 -7.060 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.312 -7.412 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.494 -5.862 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.520 -5.666 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.698 -4.701 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.763 -5.918 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.033 -6.506 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.865 -8.255 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.228 -8.426 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.656 -7.820 9.527 1.00 0.00 H new ATOM 686 N LEU A 41 -1.180 -5.951 3.320 1.00 0.00 N ATOM 687 CA LEU A 41 -1.302 -5.975 1.863 1.00 0.00 C ATOM 688 C LEU A 41 -0.190 -6.814 1.240 1.00 0.00 C ATOM 689 O LEU A 41 -0.439 -7.614 0.337 1.00 0.00 O ATOM 690 CB LEU A 41 -1.316 -4.541 1.289 1.00 0.00 C ATOM 691 CG LEU A 41 -1.270 -4.395 -0.250 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.405 -5.140 -0.930 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.312 -2.934 -0.638 1.00 0.00 C ATOM 0 H LEU A 41 -1.025 -5.021 3.710 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.253 -6.443 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.216 -4.042 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.465 -4.002 1.705 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.333 -4.838 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.331 -5.009 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.340 -6.201 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.359 -4.746 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.279 -2.845 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.232 -2.485 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.455 -2.418 -0.205 1.00 0.00 H new ATOM 705 N ILE A 42 1.008 -6.664 1.758 1.00 0.00 N ATOM 706 CA ILE A 42 2.149 -7.413 1.258 1.00 0.00 C ATOM 707 C ILE A 42 1.959 -8.898 1.543 1.00 0.00 C ATOM 708 O ILE A 42 1.923 -9.703 0.618 1.00 0.00 O ATOM 709 CB ILE A 42 3.489 -6.895 1.854 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.683 -5.424 1.473 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.666 -7.731 1.350 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.940 -4.799 2.021 1.00 0.00 C ATOM 0 H ILE A 42 1.222 -6.030 2.527 1.00 0.00 H new ATOM 0 HA ILE A 42 2.206 -7.264 0.180 1.00 0.00 H new ATOM 0 HB ILE A 42 3.450 -6.986 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.695 -5.341 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.824 -4.853 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.593 -7.351 1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.528 -8.770 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.718 -7.669 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.997 -3.758 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.925 -4.845 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.809 -5.341 1.647 1.00 0.00 H new ATOM 724 N ASN A 43 1.762 -9.232 2.817 1.00 0.00 N ATOM 725 CA ASN A 43 1.549 -10.624 3.279 1.00 0.00 C ATOM 726 C ASN A 43 0.427 -11.322 2.519 1.00 0.00 C ATOM 727 O ASN A 43 0.500 -12.535 2.254 1.00 0.00 O ATOM 728 CB ASN A 43 1.277 -10.683 4.792 1.00 0.00 C ATOM 729 CG ASN A 43 2.539 -10.553 5.652 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.176 -11.552 5.981 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.890 -9.361 6.041 1.00 0.00 N ATOM 0 H ASN A 43 1.744 -8.547 3.572 1.00 0.00 H new ATOM 0 HA ASN A 43 2.476 -11.158 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.583 -9.886 5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.784 -11.626 5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.711 -9.239 6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.344 -8.549 5.753 1.00 0.00 H new ATOM 738 N LYS A 44 -0.590 -10.552 2.153 1.00 0.00 N ATOM 739 CA LYS A 44 -1.714 -11.029 1.355 1.00 0.00 C ATOM 740 C LYS A 44 -1.224 -11.598 0.022 1.00 0.00 C ATOM 741 O LYS A 44 -1.560 -12.721 -0.355 1.00 0.00 O ATOM 742 CB LYS A 44 -2.661 -9.855 1.084 1.00 0.00 C ATOM 743 CG LYS A 44 -3.848 -10.180 0.179 1.00 0.00 C ATOM 744 CD LYS A 44 -4.670 -8.935 -0.156 1.00 0.00 C ATOM 745 CE LYS A 44 -5.273 -8.304 1.081 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.138 -7.161 0.754 1.00 0.00 N ATOM 0 H LYS A 44 -0.659 -9.566 2.405 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.231 -11.817 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.040 -9.486 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.090 -9.044 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.487 -10.635 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.487 -10.915 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.036 -8.207 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.466 -9.202 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.851 -9.052 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.474 -7.975 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.529 -6.760 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.582 -6.435 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.916 -7.479 0.141 1.00 0.00 H new ATOM 760 N PHE A 45 -0.399 -10.836 -0.652 1.00 0.00 N ATOM 761 CA PHE A 45 0.104 -11.195 -1.965 1.00 0.00 C ATOM 762 C PHE A 45 1.256 -12.162 -1.910 1.00 0.00 C ATOM 763 O PHE A 45 1.554 -12.838 -2.885 1.00 0.00 O ATOM 764 CB PHE A 45 0.457 -9.953 -2.768 1.00 0.00 C ATOM 765 CG PHE A 45 -0.741 -9.329 -3.396 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.593 -8.513 -2.669 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.041 -9.601 -4.710 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.714 -7.971 -3.255 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.162 -9.069 -5.298 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.004 -8.251 -4.569 1.00 0.00 C ATOM 0 H PHE A 45 -0.052 -9.941 -0.307 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.703 -11.718 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.943 -9.227 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.176 -10.216 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.375 -8.300 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.388 -10.240 -5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.365 -7.326 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.386 -9.290 -6.331 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.887 -7.833 -5.030 1.00 0.00 H new ATOM 780 N MET A 46 1.891 -12.243 -0.774 1.00 0.00 N ATOM 781 CA MET A 46 2.998 -13.163 -0.600 1.00 0.00 C ATOM 782 C MET A 46 2.474 -14.579 -0.412 1.00 0.00 C ATOM 783 O MET A 46 3.224 -15.551 -0.533 1.00 0.00 O ATOM 784 CB MET A 46 3.824 -12.791 0.613 1.00 0.00 C ATOM 785 CG MET A 46 4.370 -11.384 0.621 1.00 0.00 C ATOM 786 SD MET A 46 5.491 -11.106 1.990 1.00 0.00 S ATOM 787 CE MET A 46 6.841 -12.142 1.475 1.00 0.00 C ATOM 0 H MET A 46 1.666 -11.686 0.050 1.00 0.00 H new ATOM 0 HA MET A 46 3.621 -13.107 -1.492 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.212 -12.929 1.504 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.660 -13.487 0.689 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.890 -11.192 -0.318 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.544 -10.675 0.679 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.145 -12.782 2.303 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.525 -12.761 0.636 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.682 -11.519 1.170 1.00 0.00 H new ATOM 797 N ASN A 47 1.178 -14.673 -0.060 1.00 0.00 N ATOM 798 CA ASN A 47 0.462 -15.952 0.186 1.00 0.00 C ATOM 799 C ASN A 47 0.946 -16.592 1.499 1.00 0.00 C ATOM 800 O ASN A 47 0.524 -17.688 1.900 1.00 0.00 O ATOM 801 CB ASN A 47 0.604 -16.921 -1.030 1.00 0.00 C ATOM 802 CG ASN A 47 -0.200 -18.215 -0.915 1.00 0.00 C ATOM 803 OD1 ASN A 47 -1.267 -18.257 -0.312 1.00 0.00 O ATOM 804 ND2 ASN A 47 0.309 -19.273 -1.485 1.00 0.00 N ATOM 0 H ASN A 47 0.584 -13.853 0.065 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.602 -15.741 0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.294 -16.396 -1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.657 -17.174 -1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.183 -20.165 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.199 -19.208 -1.980 1.00 0.00 H new ATOM 811 N VAL A 48 1.765 -15.857 2.210 1.00 0.00 N ATOM 812 CA VAL A 48 2.341 -16.342 3.427 1.00 0.00 C ATOM 813 C VAL A 48 1.371 -16.155 4.555 1.00 0.00 C ATOM 814 O VAL A 48 0.885 -15.049 4.816 1.00 0.00 O ATOM 815 CB VAL A 48 3.745 -15.730 3.768 1.00 0.00 C ATOM 816 CG1 VAL A 48 4.754 -16.044 2.677 1.00 0.00 C ATOM 817 CG2 VAL A 48 3.683 -14.228 4.016 1.00 0.00 C ATOM 0 H VAL A 48 2.047 -14.910 1.958 1.00 0.00 H new ATOM 0 HA VAL A 48 2.533 -17.405 3.279 1.00 0.00 H new ATOM 0 HB VAL A 48 4.071 -16.198 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.719 -15.609 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.858 -17.124 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.410 -15.624 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.681 -13.856 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.307 -13.727 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.017 -14.025 4.854 1.00 0.00 H new ATOM 827 N LYS A 49 1.050 -17.221 5.185 1.00 0.00 N ATOM 828 CA LYS A 49 0.117 -17.198 6.249 1.00 0.00 C ATOM 829 C LYS A 49 0.844 -17.354 7.557 1.00 0.00 C ATOM 830 O LYS A 49 0.968 -18.455 8.118 1.00 0.00 O ATOM 831 CB LYS A 49 -0.986 -18.216 5.994 1.00 0.00 C ATOM 832 CG LYS A 49 -1.826 -17.827 4.766 1.00 0.00 C ATOM 833 CD LYS A 49 -2.793 -18.915 4.342 1.00 0.00 C ATOM 834 CE LYS A 49 -2.090 -20.070 3.632 1.00 0.00 C ATOM 835 NZ LYS A 49 -1.467 -19.646 2.347 1.00 0.00 N ATOM 0 H LYS A 49 1.430 -18.144 4.976 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.393 -16.236 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.547 -19.202 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.629 -18.287 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.385 -16.918 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.160 -17.597 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.316 -19.295 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.548 -18.490 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.323 -20.483 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.808 -20.867 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.166 -20.486 1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.159 -19.109 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.640 -19.046 2.543 1.00 0.00 H new ATOM 849 N ASP A 50 1.389 -16.218 7.973 1.00 0.00 N ATOM 850 CA ASP A 50 2.271 -16.046 9.117 1.00 0.00 C ATOM 851 C ASP A 50 3.580 -16.822 8.878 1.00 0.00 C ATOM 852 O ASP A 50 3.815 -17.357 7.792 1.00 0.00 O ATOM 853 CB ASP A 50 1.589 -16.432 10.450 1.00 0.00 C ATOM 854 CG ASP A 50 2.157 -15.669 11.656 1.00 0.00 C ATOM 855 OD1 ASP A 50 3.363 -15.792 11.964 1.00 0.00 O ATOM 856 OD2 ASP A 50 1.407 -14.901 12.293 1.00 0.00 O ATOM 0 H ASP A 50 1.215 -15.337 7.489 1.00 0.00 H new ATOM 0 HA ASP A 50 2.511 -14.987 9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.519 -16.237 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.707 -17.503 10.616 1.00 0.00 H new ATOM 861 N LYS A 51 4.420 -16.856 9.854 1.00 0.00 N ATOM 862 CA LYS A 51 5.711 -17.502 9.745 1.00 0.00 C ATOM 863 C LYS A 51 5.690 -18.809 10.502 1.00 0.00 C ATOM 864 O LYS A 51 6.638 -19.600 10.475 1.00 0.00 O ATOM 865 CB LYS A 51 6.782 -16.563 10.280 1.00 0.00 C ATOM 866 CG LYS A 51 6.674 -16.311 11.783 1.00 0.00 C ATOM 867 CD LYS A 51 7.337 -15.017 12.190 1.00 0.00 C ATOM 868 CE LYS A 51 6.482 -13.816 11.788 1.00 0.00 C ATOM 869 NZ LYS A 51 5.170 -13.804 12.502 1.00 0.00 N ATOM 0 H LYS A 51 4.242 -16.436 10.766 1.00 0.00 H new ATOM 0 HA LYS A 51 5.938 -17.725 8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.764 -16.981 10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.715 -15.611 9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.623 -16.286 12.072 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.133 -17.139 12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.498 -15.009 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.318 -14.943 11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.023 -12.895 12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.310 -13.837 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.763 -12.848 12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.520 -14.476 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.312 -14.080 13.495 1.00 0.00 H new ATOM 883 N VAL A 52 4.593 -19.030 11.141 1.00 0.00 N ATOM 884 CA VAL A 52 4.384 -20.197 11.949 1.00 0.00 C ATOM 885 C VAL A 52 3.607 -21.266 11.185 1.00 0.00 C ATOM 886 O VAL A 52 2.395 -21.457 11.366 1.00 0.00 O ATOM 887 CB VAL A 52 3.751 -19.876 13.343 1.00 0.00 C ATOM 888 CG1 VAL A 52 4.741 -19.103 14.198 1.00 0.00 C ATOM 889 CG2 VAL A 52 2.460 -19.067 13.210 1.00 0.00 C ATOM 0 H VAL A 52 3.795 -18.395 11.120 1.00 0.00 H new ATOM 0 HA VAL A 52 5.370 -20.606 12.170 1.00 0.00 H new ATOM 0 HB VAL A 52 3.509 -20.827 13.817 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.292 -18.884 15.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.641 -19.700 14.342 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.001 -18.169 13.699 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.053 -18.866 14.201 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.672 -18.124 12.706 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.734 -19.634 12.628 1.00 0.00 H new ATOM 899 N HIS A 53 4.307 -21.879 10.257 1.00 0.00 N ATOM 900 CA HIS A 53 3.810 -22.938 9.407 1.00 0.00 C ATOM 901 C HIS A 53 4.957 -23.321 8.507 1.00 0.00 C ATOM 902 O HIS A 53 5.809 -22.481 8.208 1.00 0.00 O ATOM 903 CB HIS A 53 2.613 -22.456 8.538 1.00 0.00 C ATOM 904 CG HIS A 53 1.931 -23.536 7.731 1.00 0.00 C ATOM 905 ND1 HIS A 53 2.208 -23.813 6.405 1.00 0.00 N ATOM 906 CD2 HIS A 53 0.953 -24.399 8.093 1.00 0.00 C ATOM 907 CE1 HIS A 53 1.408 -24.808 6.012 1.00 0.00 C ATOM 908 NE2 HIS A 53 0.622 -25.203 7.003 1.00 0.00 N ATOM 0 H HIS A 53 5.281 -21.643 10.066 1.00 0.00 H new ATOM 0 HA HIS A 53 3.454 -23.774 10.009 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.874 -21.991 9.191 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.967 -21.683 7.856 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.500 -24.456 9.072 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.403 -25.234 5.019 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.080 -25.942 6.974 1.00 0.00 H new ATOM 916 N LYS A 54 5.017 -24.550 8.104 1.00 0.00 N ATOM 917 CA LYS A 54 6.046 -24.968 7.200 1.00 0.00 C ATOM 918 C LYS A 54 5.553 -24.833 5.777 1.00 0.00 C ATOM 919 O LYS A 54 4.947 -25.750 5.228 1.00 0.00 O ATOM 920 CB LYS A 54 6.505 -26.392 7.498 1.00 0.00 C ATOM 921 CG LYS A 54 7.081 -26.555 8.891 1.00 0.00 C ATOM 922 CD LYS A 54 7.515 -27.978 9.145 1.00 0.00 C ATOM 923 CE LYS A 54 8.138 -28.117 10.516 1.00 0.00 C ATOM 924 NZ LYS A 54 8.591 -29.494 10.777 1.00 0.00 N ATOM 0 H LYS A 54 4.367 -25.284 8.385 1.00 0.00 H new ATOM 0 HA LYS A 54 6.914 -24.323 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.661 -27.071 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.256 -26.686 6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.932 -25.886 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.336 -26.263 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.656 -28.644 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.231 -28.285 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.984 -27.434 10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.413 -27.823 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.012 -29.547 11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.780 -30.143 10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.302 -29.766 10.068 1.00 0.00 H new ATOM 938 N LEU A 55 5.724 -23.648 5.223 1.00 0.00 N ATOM 939 CA LEU A 55 5.313 -23.371 3.854 1.00 0.00 C ATOM 940 C LEU A 55 6.276 -24.034 2.900 1.00 0.00 C ATOM 941 O LEU A 55 7.398 -23.552 2.721 1.00 0.00 O ATOM 942 CB LEU A 55 5.231 -21.855 3.543 1.00 0.00 C ATOM 943 CG LEU A 55 4.151 -21.016 4.264 1.00 0.00 C ATOM 944 CD1 LEU A 55 4.453 -20.829 5.739 1.00 0.00 C ATOM 945 CD2 LEU A 55 3.995 -19.673 3.589 1.00 0.00 C ATOM 0 H LEU A 55 6.148 -22.854 5.702 1.00 0.00 H new ATOM 0 HA LEU A 55 4.308 -23.775 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.202 -21.416 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.077 -21.744 2.470 1.00 0.00 H new ATOM 0 HG LEU A 55 3.214 -21.569 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.665 -20.233 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.503 -21.803 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.408 -20.317 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.231 -19.092 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.943 -19.137 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.697 -19.820 2.551 1.00 0.00 H new ATOM 957 N GLU A 56 5.840 -25.155 2.326 1.00 0.00 N ATOM 958 CA GLU A 56 6.639 -25.982 1.411 1.00 0.00 C ATOM 959 C GLU A 56 7.847 -26.604 2.120 1.00 0.00 C ATOM 960 O GLU A 56 7.810 -27.770 2.524 1.00 0.00 O ATOM 961 CB GLU A 56 7.073 -25.225 0.120 1.00 0.00 C ATOM 962 CG GLU A 56 5.980 -25.036 -0.943 1.00 0.00 C ATOM 963 CD GLU A 56 4.760 -24.277 -0.472 1.00 0.00 C ATOM 964 OE1 GLU A 56 3.821 -24.918 0.050 1.00 0.00 O ATOM 965 OE2 GLU A 56 4.699 -23.035 -0.650 1.00 0.00 O ATOM 0 H GLU A 56 4.903 -25.524 2.485 1.00 0.00 H new ATOM 0 HA GLU A 56 5.982 -26.790 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.449 -24.243 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.905 -25.765 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.410 -24.511 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.665 -26.017 -1.298 1.00 0.00 H new ATOM 972 N HIS A 57 8.860 -25.814 2.320 1.00 0.00 N ATOM 973 CA HIS A 57 10.086 -26.220 2.948 1.00 0.00 C ATOM 974 C HIS A 57 10.827 -24.963 3.293 1.00 0.00 C ATOM 975 O HIS A 57 10.928 -24.062 2.457 1.00 0.00 O ATOM 976 CB HIS A 57 10.934 -27.059 1.973 1.00 0.00 C ATOM 977 CG HIS A 57 12.193 -27.651 2.565 1.00 0.00 C ATOM 978 ND1 HIS A 57 12.305 -28.956 2.988 1.00 0.00 N ATOM 979 CD2 HIS A 57 13.410 -27.087 2.777 1.00 0.00 C ATOM 980 CE1 HIS A 57 13.546 -29.139 3.434 1.00 0.00 C ATOM 981 NE2 HIS A 57 14.262 -28.032 3.327 1.00 0.00 N ATOM 0 H HIS A 57 8.857 -24.833 2.041 1.00 0.00 H new ATOM 0 HA HIS A 57 9.885 -26.826 3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.318 -27.870 1.585 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.209 -26.433 1.124 1.00 0.00 H new ATOM 0 HD2 HIS A 57 13.673 -26.064 2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 57 13.920 -30.071 3.832 1.00 0.00 H new ATOM 0 HE2 HIS A 57 15.238 -27.901 3.594 1.00 0.00 H new ATOM 989 N HIS A 58 11.313 -24.870 4.484 1.00 0.00 N ATOM 990 CA HIS A 58 12.072 -23.722 4.874 1.00 0.00 C ATOM 991 C HIS A 58 13.452 -24.189 5.338 1.00 0.00 C ATOM 992 O HIS A 58 13.591 -25.294 5.876 1.00 0.00 O ATOM 993 CB HIS A 58 11.334 -22.942 5.972 1.00 0.00 C ATOM 994 CG HIS A 58 11.930 -21.610 6.304 1.00 0.00 C ATOM 995 ND1 HIS A 58 12.718 -21.371 7.404 1.00 0.00 N ATOM 996 CD2 HIS A 58 11.819 -20.426 5.655 1.00 0.00 C ATOM 997 CE1 HIS A 58 13.057 -20.077 7.393 1.00 0.00 C ATOM 998 NE2 HIS A 58 12.535 -19.456 6.347 1.00 0.00 N ATOM 0 H HIS A 58 11.200 -25.577 5.211 1.00 0.00 H new ATOM 0 HA HIS A 58 12.195 -23.043 4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 58 10.300 -22.794 5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 58 11.311 -23.550 6.877 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.262 -20.262 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 58 13.676 -19.601 8.140 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.637 -18.472 6.100 1.00 0.00 H new ATOM 1006 N HIS A 59 14.455 -23.366 5.111 1.00 0.00 N ATOM 1007 CA HIS A 59 15.840 -23.707 5.430 1.00 0.00 C ATOM 1008 C HIS A 59 16.087 -23.800 6.939 1.00 0.00 C ATOM 1009 O HIS A 59 15.483 -23.061 7.741 1.00 0.00 O ATOM 1010 CB HIS A 59 16.832 -22.694 4.792 1.00 0.00 C ATOM 1011 CG HIS A 59 16.666 -21.266 5.262 1.00 0.00 C ATOM 1012 ND1 HIS A 59 15.772 -20.326 4.880 1.00 0.00 N flip ATOM 1013 CD2 HIS A 59 17.453 -20.666 6.225 1.00 0.00 C flip ATOM 1014 CE1 HIS A 59 15.999 -19.158 5.597 1.00 0.00 C flip ATOM 1015 NE2 HIS A 59 17.017 -19.417 6.393 1.00 0.00 N flip ATOM 0 H HIS A 59 14.340 -22.439 4.700 1.00 0.00 H new ATOM 0 HA HIS A 59 16.018 -24.694 5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 59 17.850 -23.018 5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 59 16.712 -22.722 3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 59 18.277 -21.127 6.750 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.454 -18.229 5.518 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.419 -18.749 7.051 1.00 0.00 H new ATOM 1023 N HIS A 60 16.944 -24.718 7.309 1.00 0.00 N ATOM 1024 CA HIS A 60 17.381 -24.877 8.679 1.00 0.00 C ATOM 1025 C HIS A 60 18.663 -24.085 8.849 1.00 0.00 C ATOM 1026 O HIS A 60 18.781 -23.251 9.748 1.00 0.00 O ATOM 1027 CB HIS A 60 17.627 -26.373 9.000 1.00 0.00 C ATOM 1028 CG HIS A 60 18.147 -26.665 10.397 1.00 0.00 C ATOM 1029 ND1 HIS A 60 17.368 -27.132 11.424 1.00 0.00 N ATOM 1030 CD2 HIS A 60 19.406 -26.571 10.905 1.00 0.00 C ATOM 1031 CE1 HIS A 60 18.146 -27.302 12.493 1.00 0.00 C ATOM 1032 NE2 HIS A 60 19.397 -26.976 12.232 1.00 0.00 N ATOM 0 H HIS A 60 17.365 -25.385 6.662 1.00 0.00 H new ATOM 0 HA HIS A 60 16.615 -24.513 9.364 1.00 0.00 H new ATOM 0 HB2 HIS A 60 16.692 -26.915 8.858 1.00 0.00 H new ATOM 0 HB3 HIS A 60 18.339 -26.770 8.276 1.00 0.00 H new ATOM 0 HD2 HIS A 60 20.276 -26.234 10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 60 17.797 -27.661 13.450 1.00 0.00 H new ATOM 0 HE2 HIS A 60 20.191 -27.014 12.871 1.00 0.00 H new ATOM 1040 N HIS A 61 19.602 -24.340 7.963 1.00 0.00 N ATOM 1041 CA HIS A 61 20.885 -23.689 7.975 1.00 0.00 C ATOM 1042 C HIS A 61 21.393 -23.603 6.548 1.00 0.00 C ATOM 1043 O HIS A 61 21.535 -24.626 5.871 1.00 0.00 O ATOM 1044 CB HIS A 61 21.869 -24.469 8.870 1.00 0.00 C ATOM 1045 CG HIS A 61 23.236 -23.854 8.990 1.00 0.00 C ATOM 1046 ND1 HIS A 61 23.570 -22.898 9.923 1.00 0.00 N ATOM 1047 CD2 HIS A 61 24.361 -24.087 8.280 1.00 0.00 C ATOM 1048 CE1 HIS A 61 24.853 -22.587 9.756 1.00 0.00 C ATOM 1049 NE2 HIS A 61 25.382 -23.283 8.768 1.00 0.00 N ATOM 0 H HIS A 61 19.490 -25.015 7.206 1.00 0.00 H new ATOM 0 HA HIS A 61 20.794 -22.684 8.386 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.438 -24.559 9.867 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.974 -25.480 8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 61 24.452 -24.787 7.463 1.00 0.00 H new ATOM 0 HE1 HIS A 61 25.389 -21.862 10.350 1.00 0.00 H new ATOM 0 HE2 HIS A 61 26.344 -23.239 8.432 1.00 0.00 H new ATOM 1057 N HIS A 62 21.638 -22.409 6.094 1.00 0.00 N ATOM 1058 CA HIS A 62 22.098 -22.177 4.756 1.00 0.00 C ATOM 1059 C HIS A 62 22.826 -20.852 4.738 1.00 0.00 C ATOM 1060 O HIS A 62 24.062 -20.840 4.754 1.00 0.00 O ATOM 1061 CB HIS A 62 20.909 -22.170 3.770 1.00 0.00 C ATOM 1062 CG HIS A 62 21.312 -22.102 2.329 1.00 0.00 C ATOM 1063 ND1 HIS A 62 21.061 -21.034 1.507 1.00 0.00 N ATOM 1064 CD2 HIS A 62 21.951 -23.014 1.568 1.00 0.00 C ATOM 1065 CE1 HIS A 62 21.539 -21.314 0.299 1.00 0.00 C ATOM 1066 NE2 HIS A 62 22.098 -22.517 0.275 1.00 0.00 N ATOM 1067 OXT HIS A 62 22.165 -19.809 4.799 1.00 0.00 O ATOM 0 H HIS A 62 21.523 -21.560 6.648 1.00 0.00 H new ATOM 0 HA HIS A 62 22.773 -22.974 4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 62 20.314 -23.070 3.928 1.00 0.00 H new ATOM 0 HB3 HIS A 62 20.267 -21.319 3.997 1.00 0.00 H new ATOM 0 HD1 HIS A 62 20.588 -20.171 1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 62 22.295 -23.979 1.908 1.00 0.00 H new ATOM 0 HE1 HIS A 62 21.480 -20.650 -0.551 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 10.263 24.072 2.275 1.00 0.00 N ATOM 1077 CA MET B 1 10.432 22.652 2.526 1.00 0.00 C ATOM 1078 C MET B 1 10.173 21.906 1.251 1.00 0.00 C ATOM 1079 O MET B 1 9.231 22.224 0.526 1.00 0.00 O ATOM 1080 CB MET B 1 9.470 22.164 3.619 1.00 0.00 C ATOM 1081 CG MET B 1 9.730 22.749 4.997 1.00 0.00 C ATOM 1082 SD MET B 1 8.539 22.185 6.237 1.00 0.00 S ATOM 1083 CE MET B 1 7.018 22.940 5.638 1.00 0.00 C ATOM 0 H1 MET B 1 11.143 24.574 2.512 1.00 0.00 H new ATOM 0 H2 MET B 1 10.039 24.223 1.271 1.00 0.00 H new ATOM 0 H3 MET B 1 9.487 24.438 2.862 1.00 0.00 H new ATOM 0 HA MET B 1 11.450 22.471 2.872 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.450 22.407 3.322 1.00 0.00 H new ATOM 0 HB3 MET B 1 9.533 21.078 3.682 1.00 0.00 H new ATOM 0 HG2 MET B 1 10.736 22.478 5.317 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.697 23.837 4.937 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.280 22.958 6.440 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.222 23.959 5.310 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.629 22.361 4.801 1.00 0.00 H new ATOM 1095 N GLU B 2 10.975 20.923 0.971 1.00 0.00 N ATOM 1096 CA GLU B 2 10.838 20.185 -0.240 1.00 0.00 C ATOM 1097 C GLU B 2 9.893 19.005 -0.044 1.00 0.00 C ATOM 1098 O GLU B 2 10.282 17.958 0.478 1.00 0.00 O ATOM 1099 CB GLU B 2 12.206 19.730 -0.747 1.00 0.00 C ATOM 1100 CG GLU B 2 12.164 18.994 -2.068 1.00 0.00 C ATOM 1101 CD GLU B 2 11.502 19.799 -3.152 1.00 0.00 C ATOM 1102 OE1 GLU B 2 12.129 20.720 -3.695 1.00 0.00 O ATOM 1103 OE2 GLU B 2 10.324 19.528 -3.464 1.00 0.00 O ATOM 0 H GLU B 2 11.737 20.614 1.574 1.00 0.00 H new ATOM 0 HA GLU B 2 10.402 20.835 -0.999 1.00 0.00 H new ATOM 0 HB2 GLU B 2 12.851 20.602 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU B 2 12.662 19.083 0.002 1.00 0.00 H new ATOM 0 HG2 GLU B 2 13.180 18.744 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU B 2 11.629 18.053 -1.940 1.00 0.00 H new ATOM 1110 N MET B 3 8.649 19.200 -0.408 1.00 0.00 N ATOM 1111 CA MET B 3 7.656 18.146 -0.305 1.00 0.00 C ATOM 1112 C MET B 3 7.273 17.618 -1.678 1.00 0.00 C ATOM 1113 O MET B 3 6.494 16.668 -1.804 1.00 0.00 O ATOM 1114 CB MET B 3 6.425 18.590 0.503 1.00 0.00 C ATOM 1115 CG MET B 3 6.733 18.847 1.974 1.00 0.00 C ATOM 1116 SD MET B 3 5.278 19.290 2.954 1.00 0.00 S ATOM 1117 CE MET B 3 6.018 19.465 4.578 1.00 0.00 C ATOM 0 H MET B 3 8.294 20.081 -0.780 1.00 0.00 H new ATOM 0 HA MET B 3 8.110 17.324 0.248 1.00 0.00 H new ATOM 0 HB2 MET B 3 6.016 19.498 0.060 1.00 0.00 H new ATOM 0 HB3 MET B 3 5.654 17.823 0.428 1.00 0.00 H new ATOM 0 HG2 MET B 3 7.191 17.955 2.402 1.00 0.00 H new ATOM 0 HG3 MET B 3 7.468 19.649 2.048 1.00 0.00 H new ATOM 0 HE1 MET B 3 5.312 19.955 5.248 1.00 0.00 H new ATOM 0 HE2 MET B 3 6.268 18.480 4.972 1.00 0.00 H new ATOM 0 HE3 MET B 3 6.924 20.066 4.502 1.00 0.00 H new ATOM 1127 N GLY B 4 7.865 18.201 -2.703 1.00 0.00 N ATOM 1128 CA GLY B 4 7.620 17.760 -4.057 1.00 0.00 C ATOM 1129 C GLY B 4 8.491 16.575 -4.377 1.00 0.00 C ATOM 1130 O GLY B 4 8.004 15.529 -4.818 1.00 0.00 O ATOM 0 H GLY B 4 8.518 18.980 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY B 4 6.570 17.493 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY B 4 7.825 18.572 -4.755 1.00 0.00 H new ATOM 1134 N GLN B 5 9.798 16.715 -4.105 1.00 0.00 N ATOM 1135 CA GLN B 5 10.740 15.600 -4.289 1.00 0.00 C ATOM 1136 C GLN B 5 10.398 14.468 -3.349 1.00 0.00 C ATOM 1137 O GLN B 5 10.655 13.315 -3.640 1.00 0.00 O ATOM 1138 CB GLN B 5 12.206 16.007 -4.078 1.00 0.00 C ATOM 1139 CG GLN B 5 12.783 16.935 -5.136 1.00 0.00 C ATOM 1140 CD GLN B 5 12.617 16.381 -6.533 1.00 0.00 C ATOM 1141 OE1 GLN B 5 13.447 15.623 -7.022 1.00 0.00 O ATOM 1142 NE2 GLN B 5 11.577 16.786 -7.198 1.00 0.00 N ATOM 0 H GLN B 5 10.222 17.577 -3.762 1.00 0.00 H new ATOM 0 HA GLN B 5 10.637 15.280 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN B 5 12.295 16.492 -3.106 1.00 0.00 H new ATOM 0 HB3 GLN B 5 12.815 15.104 -4.040 1.00 0.00 H new ATOM 0 HG2 GLN B 5 12.293 17.906 -5.071 1.00 0.00 H new ATOM 0 HG3 GLN B 5 13.842 17.099 -4.935 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.906 17.417 -6.760 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.432 16.473 -8.158 1.00 0.00 H new ATOM 1151 N LEU B 6 9.790 14.826 -2.241 1.00 0.00 N ATOM 1152 CA LEU B 6 9.361 13.884 -1.236 1.00 0.00 C ATOM 1153 C LEU B 6 8.350 12.889 -1.838 1.00 0.00 C ATOM 1154 O LEU B 6 8.509 11.676 -1.705 1.00 0.00 O ATOM 1155 CB LEU B 6 8.797 14.685 -0.025 1.00 0.00 C ATOM 1156 CG LEU B 6 8.235 13.925 1.199 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.805 13.466 0.979 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.122 12.745 1.554 1.00 0.00 C ATOM 0 H LEU B 6 9.577 15.796 -2.010 1.00 0.00 H new ATOM 0 HA LEU B 6 10.195 13.281 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.593 15.337 0.334 1.00 0.00 H new ATOM 0 HB3 LEU B 6 8.003 15.329 -0.402 1.00 0.00 H new ATOM 0 HG LEU B 6 8.228 14.625 2.035 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.452 12.937 1.864 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.169 14.332 0.796 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.765 12.799 0.118 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.708 12.225 2.418 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.172 12.060 0.708 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.124 13.102 1.792 1.00 0.00 H new ATOM 1170 N LYS B 7 7.360 13.409 -2.541 1.00 0.00 N ATOM 1171 CA LYS B 7 6.337 12.573 -3.155 1.00 0.00 C ATOM 1172 C LYS B 7 6.915 11.788 -4.324 1.00 0.00 C ATOM 1173 O LYS B 7 6.528 10.642 -4.568 1.00 0.00 O ATOM 1174 CB LYS B 7 5.155 13.430 -3.590 1.00 0.00 C ATOM 1175 CG LYS B 7 3.830 13.051 -2.927 1.00 0.00 C ATOM 1176 CD LYS B 7 3.242 11.741 -3.465 1.00 0.00 C ATOM 1177 CE LYS B 7 2.820 11.887 -4.917 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.014 10.743 -5.384 1.00 0.00 N ATOM 0 H LYS B 7 7.240 14.409 -2.703 1.00 0.00 H new ATOM 0 HA LYS B 7 5.981 11.851 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.375 14.474 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.043 13.353 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.982 12.960 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.111 13.855 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.980 10.944 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.383 11.449 -2.861 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.245 12.806 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.707 11.983 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.964 10.754 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.455 9.856 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.054 10.811 -4.991 1.00 0.00 H new ATOM 1192 N ASN B 8 7.863 12.404 -5.011 1.00 0.00 N ATOM 1193 CA ASN B 8 8.576 11.772 -6.118 1.00 0.00 C ATOM 1194 C ASN B 8 9.318 10.536 -5.594 1.00 0.00 C ATOM 1195 O ASN B 8 9.250 9.447 -6.189 1.00 0.00 O ATOM 1196 CB ASN B 8 9.552 12.788 -6.755 1.00 0.00 C ATOM 1197 CG ASN B 8 10.314 12.267 -7.976 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.838 11.409 -8.722 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.493 12.803 -8.196 1.00 0.00 N ATOM 0 H ASN B 8 8.163 13.360 -4.819 1.00 0.00 H new ATOM 0 HA ASN B 8 7.874 11.454 -6.888 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.991 13.676 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.273 13.100 -6.000 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.043 12.511 -9.004 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.858 13.511 -7.559 1.00 0.00 H new ATOM 1206 N LYS B 9 9.979 10.698 -4.450 1.00 0.00 N ATOM 1207 CA LYS B 9 10.667 9.597 -3.796 1.00 0.00 C ATOM 1208 C LYS B 9 9.681 8.532 -3.332 1.00 0.00 C ATOM 1209 O LYS B 9 9.953 7.357 -3.481 1.00 0.00 O ATOM 1210 CB LYS B 9 11.536 10.076 -2.635 1.00 0.00 C ATOM 1211 CG LYS B 9 12.734 10.895 -3.060 1.00 0.00 C ATOM 1212 CD LYS B 9 13.556 11.337 -1.865 1.00 0.00 C ATOM 1213 CE LYS B 9 14.772 12.114 -2.316 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.576 12.628 -1.192 1.00 0.00 N ATOM 0 H LYS B 9 10.050 11.588 -3.957 1.00 0.00 H new ATOM 0 HA LYS B 9 11.331 9.149 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.924 10.671 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.883 9.209 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.357 10.308 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.399 11.770 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.946 11.955 -1.206 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.867 10.466 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.396 11.473 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.452 12.949 -2.939 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.395 13.151 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.993 13.263 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.908 11.832 -0.610 1.00 0.00 H new ATOM 1228 N ILE B 10 8.570 8.953 -2.738 1.00 0.00 N ATOM 1229 CA ILE B 10 7.464 8.048 -2.362 1.00 0.00 C ATOM 1230 C ILE B 10 7.055 7.124 -3.514 1.00 0.00 C ATOM 1231 O ILE B 10 7.054 5.901 -3.353 1.00 0.00 O ATOM 1232 CB ILE B 10 6.234 8.846 -1.840 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.573 9.440 -0.487 1.00 0.00 C ATOM 1234 CG2 ILE B 10 4.969 7.977 -1.755 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.515 10.315 0.096 1.00 0.00 C ATOM 0 H ILE B 10 8.400 9.930 -2.499 1.00 0.00 H new ATOM 0 HA ILE B 10 7.836 7.419 -1.554 1.00 0.00 H new ATOM 0 HB ILE B 10 6.012 9.642 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.777 8.627 0.210 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.492 10.018 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.138 8.579 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.726 7.591 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.145 7.144 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.847 10.693 1.063 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.325 11.152 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.598 9.740 0.227 1.00 0.00 H new ATOM 1247 N GLU B 11 6.742 7.705 -4.667 1.00 0.00 N ATOM 1248 CA GLU B 11 6.360 6.932 -5.852 1.00 0.00 C ATOM 1249 C GLU B 11 7.480 5.989 -6.245 1.00 0.00 C ATOM 1250 O GLU B 11 7.252 4.813 -6.506 1.00 0.00 O ATOM 1251 CB GLU B 11 6.042 7.871 -7.011 1.00 0.00 C ATOM 1252 CG GLU B 11 4.884 8.810 -6.734 1.00 0.00 C ATOM 1253 CD GLU B 11 3.608 8.077 -6.452 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.120 7.343 -7.329 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.025 8.264 -5.385 1.00 0.00 O ATOM 0 H GLU B 11 6.744 8.715 -4.810 1.00 0.00 H new ATOM 0 HA GLU B 11 5.471 6.347 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU B 11 6.929 8.461 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU B 11 5.813 7.277 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.130 9.445 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU B 11 4.740 9.468 -7.591 1.00 0.00 H new ATOM 1262 N ASN B 12 8.680 6.513 -6.233 1.00 0.00 N ATOM 1263 CA ASN B 12 9.888 5.771 -6.564 1.00 0.00 C ATOM 1264 C ASN B 12 10.072 4.565 -5.634 1.00 0.00 C ATOM 1265 O ASN B 12 10.311 3.447 -6.088 1.00 0.00 O ATOM 1266 CB ASN B 12 11.107 6.718 -6.452 1.00 0.00 C ATOM 1267 CG ASN B 12 12.443 6.023 -6.616 1.00 0.00 C ATOM 1268 OD1 ASN B 12 12.956 5.895 -7.724 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.028 5.620 -5.522 1.00 0.00 N ATOM 0 H ASN B 12 8.857 7.487 -5.989 1.00 0.00 H new ATOM 0 HA ASN B 12 9.801 5.394 -7.583 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.019 7.498 -7.208 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.083 7.212 -5.481 1.00 0.00 H new ATOM 0 HD21 ASN B 12 13.947 5.179 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.567 5.746 -4.621 1.00 0.00 H new ATOM 1276 N LYS B 13 9.913 4.811 -4.351 1.00 0.00 N ATOM 1277 CA LYS B 13 10.146 3.832 -3.306 1.00 0.00 C ATOM 1278 C LYS B 13 9.060 2.758 -3.326 1.00 0.00 C ATOM 1279 O LYS B 13 9.343 1.576 -3.139 1.00 0.00 O ATOM 1280 CB LYS B 13 10.176 4.548 -1.954 1.00 0.00 C ATOM 1281 CG LYS B 13 10.962 3.832 -0.865 1.00 0.00 C ATOM 1282 CD LYS B 13 12.430 3.644 -1.260 1.00 0.00 C ATOM 1283 CE LYS B 13 13.118 4.957 -1.615 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.497 4.741 -2.086 1.00 0.00 N ATOM 0 H LYS B 13 9.611 5.718 -3.995 1.00 0.00 H new ATOM 0 HA LYS B 13 11.103 3.338 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.602 5.541 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.151 4.686 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.904 4.403 0.062 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.510 2.860 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.965 3.169 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.489 2.966 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS B 13 12.546 5.470 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.130 5.609 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 14.886 5.636 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.084 4.400 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.497 4.034 -2.848 1.00 0.00 H new ATOM 1298 N LYS B 14 7.832 3.202 -3.546 1.00 0.00 N ATOM 1299 CA LYS B 14 6.670 2.358 -3.721 1.00 0.00 C ATOM 1300 C LYS B 14 6.970 1.331 -4.805 1.00 0.00 C ATOM 1301 O LYS B 14 6.847 0.139 -4.594 1.00 0.00 O ATOM 1302 CB LYS B 14 5.496 3.256 -4.165 1.00 0.00 C ATOM 1303 CG LYS B 14 4.151 2.570 -4.339 1.00 0.00 C ATOM 1304 CD LYS B 14 3.085 3.545 -4.860 1.00 0.00 C ATOM 1305 CE LYS B 14 3.276 3.845 -6.330 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.331 4.868 -6.835 1.00 0.00 N ATOM 0 H LYS B 14 7.614 4.196 -3.609 1.00 0.00 H new ATOM 0 HA LYS B 14 6.418 1.841 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.380 4.055 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.764 3.727 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.254 1.736 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.828 2.152 -3.385 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.094 3.121 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.130 4.473 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.297 4.187 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.150 2.926 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.172 4.722 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.427 4.786 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.730 5.816 -6.680 1.00 0.00 H new ATOM 1320 N LYS B 15 7.429 1.825 -5.937 1.00 0.00 N ATOM 1321 CA LYS B 15 7.755 1.002 -7.096 1.00 0.00 C ATOM 1322 C LYS B 15 8.942 0.084 -6.819 1.00 0.00 C ATOM 1323 O LYS B 15 8.976 -1.055 -7.299 1.00 0.00 O ATOM 1324 CB LYS B 15 7.981 1.894 -8.311 1.00 0.00 C ATOM 1325 CG LYS B 15 6.734 2.689 -8.689 1.00 0.00 C ATOM 1326 CD LYS B 15 7.031 3.808 -9.675 1.00 0.00 C ATOM 1327 CE LYS B 15 7.483 3.289 -11.032 1.00 0.00 C ATOM 1328 NZ LYS B 15 7.749 4.399 -11.970 1.00 0.00 N ATOM 0 H LYS B 15 7.590 2.821 -6.085 1.00 0.00 H new ATOM 0 HA LYS B 15 6.912 0.345 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS B 15 8.800 2.584 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.287 1.280 -9.158 1.00 0.00 H new ATOM 0 HG2 LYS B 15 5.995 2.015 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.290 3.112 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.138 4.420 -9.803 1.00 0.00 H new ATOM 0 HD3 LYS B 15 7.805 4.455 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.384 2.688 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS B 15 6.716 2.635 -11.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.055 4.014 -12.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.882 4.957 -12.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.498 5.008 -11.583 1.00 0.00 H new ATOM 1342 N GLU B 16 9.900 0.564 -6.026 1.00 0.00 N ATOM 1343 CA GLU B 16 11.025 -0.262 -5.607 1.00 0.00 C ATOM 1344 C GLU B 16 10.520 -1.447 -4.796 1.00 0.00 C ATOM 1345 O GLU B 16 10.966 -2.588 -4.973 1.00 0.00 O ATOM 1346 CB GLU B 16 12.051 0.527 -4.772 1.00 0.00 C ATOM 1347 CG GLU B 16 12.874 1.542 -5.528 1.00 0.00 C ATOM 1348 CD GLU B 16 13.977 2.090 -4.663 1.00 0.00 C ATOM 1349 OE1 GLU B 16 14.979 1.368 -4.441 1.00 0.00 O ATOM 1350 OE2 GLU B 16 13.867 3.215 -4.157 1.00 0.00 O ATOM 0 H GLU B 16 9.917 1.517 -5.664 1.00 0.00 H new ATOM 0 HA GLU B 16 11.527 -0.607 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.520 1.042 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU B 16 12.729 -0.183 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.300 1.080 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.233 2.356 -5.867 1.00 0.00 H new ATOM 1357 N LEU B 17 9.578 -1.173 -3.936 1.00 0.00 N ATOM 1358 CA LEU B 17 8.993 -2.174 -3.091 1.00 0.00 C ATOM 1359 C LEU B 17 8.130 -3.133 -3.889 1.00 0.00 C ATOM 1360 O LEU B 17 8.190 -4.343 -3.665 1.00 0.00 O ATOM 1361 CB LEU B 17 8.240 -1.501 -1.910 1.00 0.00 C ATOM 1362 CG LEU B 17 7.244 -2.336 -1.078 1.00 0.00 C ATOM 1363 CD1 LEU B 17 5.926 -2.530 -1.781 1.00 0.00 C ATOM 1364 CD2 LEU B 17 7.853 -3.642 -0.591 1.00 0.00 C ATOM 0 H LEU B 17 9.192 -0.239 -3.802 1.00 0.00 H new ATOM 0 HA LEU B 17 9.784 -2.785 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.990 -1.107 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.696 -0.647 -2.312 1.00 0.00 H new ATOM 0 HG LEU B 17 7.021 -1.754 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.262 -3.124 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.470 -1.559 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.090 -3.048 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.114 -4.194 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.163 -4.241 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.720 -3.428 0.035 1.00 0.00 H new ATOM 1376 N ILE B 18 7.338 -2.600 -4.810 1.00 0.00 N ATOM 1377 CA ILE B 18 6.450 -3.416 -5.635 1.00 0.00 C ATOM 1378 C ILE B 18 7.253 -4.499 -6.333 1.00 0.00 C ATOM 1379 O ILE B 18 6.871 -5.655 -6.349 1.00 0.00 O ATOM 1380 CB ILE B 18 5.691 -2.564 -6.695 1.00 0.00 C ATOM 1381 CG1 ILE B 18 4.786 -1.556 -6.001 1.00 0.00 C ATOM 1382 CG2 ILE B 18 4.868 -3.456 -7.637 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.204 -0.508 -6.915 1.00 0.00 C ATOM 0 H ILE B 18 7.291 -1.600 -5.007 1.00 0.00 H new ATOM 0 HA ILE B 18 5.707 -3.865 -4.976 1.00 0.00 H new ATOM 0 HB ILE B 18 6.428 -2.030 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE B 18 3.970 -2.092 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.353 -1.059 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.349 -2.834 -8.366 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.532 -4.147 -8.157 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.138 -4.021 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.573 0.168 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.011 0.058 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.607 -0.991 -7.688 1.00 0.00 H new ATOM 1395 N GLN B 19 8.404 -4.106 -6.823 1.00 0.00 N ATOM 1396 CA GLN B 19 9.312 -4.995 -7.514 1.00 0.00 C ATOM 1397 C GLN B 19 9.926 -6.039 -6.580 1.00 0.00 C ATOM 1398 O GLN B 19 10.320 -7.119 -7.027 1.00 0.00 O ATOM 1399 CB GLN B 19 10.388 -4.196 -8.211 1.00 0.00 C ATOM 1400 CG GLN B 19 9.849 -3.333 -9.335 1.00 0.00 C ATOM 1401 CD GLN B 19 10.902 -2.456 -9.941 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.588 -2.854 -10.892 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.031 -1.268 -9.422 1.00 0.00 N ATOM 0 H GLN B 19 8.743 -3.146 -6.753 1.00 0.00 H new ATOM 0 HA GLN B 19 8.735 -5.543 -8.259 1.00 0.00 H new ATOM 0 HB2 GLN B 19 10.891 -3.561 -7.482 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.138 -4.878 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.425 -3.973 -10.109 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.038 -2.712 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.441 -0.987 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN B 19 11.721 -0.619 -9.799 1.00 0.00 H new ATOM 1412 N LEU B 20 9.992 -5.731 -5.299 1.00 0.00 N ATOM 1413 CA LEU B 20 10.502 -6.670 -4.320 1.00 0.00 C ATOM 1414 C LEU B 20 9.443 -7.693 -3.994 1.00 0.00 C ATOM 1415 O LEU B 20 9.722 -8.889 -3.976 1.00 0.00 O ATOM 1416 CB LEU B 20 10.994 -5.976 -3.051 1.00 0.00 C ATOM 1417 CG LEU B 20 12.209 -5.068 -3.210 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.579 -4.456 -1.880 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.392 -5.837 -3.782 1.00 0.00 C ATOM 0 H LEU B 20 9.698 -4.835 -4.912 1.00 0.00 H new ATOM 0 HA LEU B 20 11.366 -7.170 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.174 -5.384 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.232 -6.741 -2.312 1.00 0.00 H new ATOM 0 HG LEU B 20 11.951 -4.272 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.448 -3.810 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU B 20 11.741 -3.869 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.815 -5.247 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.246 -5.167 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.653 -6.656 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.126 -6.240 -4.759 1.00 0.00 H new ATOM 1431 N VAL B 21 8.218 -7.230 -3.740 1.00 0.00 N ATOM 1432 CA VAL B 21 7.106 -8.159 -3.535 1.00 0.00 C ATOM 1433 C VAL B 21 6.886 -9.001 -4.815 1.00 0.00 C ATOM 1434 O VAL B 21 6.587 -10.184 -4.753 1.00 0.00 O ATOM 1435 CB VAL B 21 5.795 -7.412 -3.179 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.698 -8.383 -2.759 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.044 -6.392 -2.095 1.00 0.00 C ATOM 0 H VAL B 21 7.974 -6.242 -3.672 1.00 0.00 H new ATOM 0 HA VAL B 21 7.364 -8.808 -2.699 1.00 0.00 H new ATOM 0 HB VAL B 21 5.454 -6.893 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.793 -7.826 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.491 -9.074 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.025 -8.944 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.113 -5.878 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.418 -6.893 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL B 21 6.781 -5.667 -2.440 1.00 0.00 H new ATOM 1447 N ALA B 22 7.078 -8.376 -5.963 1.00 0.00 N ATOM 1448 CA ALA B 22 6.922 -9.028 -7.252 1.00 0.00 C ATOM 1449 C ALA B 22 7.924 -10.175 -7.447 1.00 0.00 C ATOM 1450 O ALA B 22 7.537 -11.300 -7.782 1.00 0.00 O ATOM 1451 CB ALA B 22 7.043 -8.014 -8.380 1.00 0.00 C ATOM 0 H ALA B 22 7.349 -7.395 -6.028 1.00 0.00 H new ATOM 0 HA ALA B 22 5.924 -9.466 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA B 22 6.924 -8.520 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.268 -7.255 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.024 -7.540 -8.340 1.00 0.00 H new ATOM 1457 N ARG B 23 9.204 -9.908 -7.161 1.00 0.00 N ATOM 1458 CA ARG B 23 10.282 -10.899 -7.364 1.00 0.00 C ATOM 1459 C ARG B 23 10.225 -12.024 -6.327 1.00 0.00 C ATOM 1460 O ARG B 23 11.006 -12.974 -6.382 1.00 0.00 O ATOM 1461 CB ARG B 23 11.660 -10.230 -7.359 1.00 0.00 C ATOM 1462 CG ARG B 23 12.053 -9.611 -6.029 1.00 0.00 C ATOM 1463 CD ARG B 23 13.366 -8.861 -6.132 1.00 0.00 C ATOM 1464 NE ARG B 23 13.291 -7.765 -7.112 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.313 -6.958 -7.435 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.456 -7.017 -6.753 1.00 0.00 N ATOM 1467 NH2 ARG B 23 14.180 -6.083 -8.424 1.00 0.00 N ATOM 0 H ARG B 23 9.525 -9.015 -6.788 1.00 0.00 H new ATOM 0 HA ARG B 23 10.122 -11.346 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.410 -10.970 -7.637 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.677 -9.455 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.269 -8.930 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.137 -10.392 -5.274 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.633 -8.458 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.159 -9.552 -6.419 1.00 0.00 H new ATOM 0 HE ARG B 23 12.398 -7.608 -7.579 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.556 -7.677 -5.982 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.231 -6.402 -7.002 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.301 -6.024 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG B 23 14.957 -5.469 -8.670 1.00 0.00 H new ATOM 1481 N HIS B 24 9.315 -11.885 -5.380 1.00 0.00 N ATOM 1482 CA HIS B 24 9.045 -12.907 -4.393 1.00 0.00 C ATOM 1483 C HIS B 24 8.386 -14.128 -5.066 1.00 0.00 C ATOM 1484 O HIS B 24 8.521 -15.260 -4.596 1.00 0.00 O ATOM 1485 CB HIS B 24 8.143 -12.325 -3.274 1.00 0.00 C ATOM 1486 CG HIS B 24 7.554 -13.345 -2.337 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.283 -13.866 -2.478 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.088 -13.959 -1.259 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.095 -14.757 -1.512 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.159 -14.857 -0.738 1.00 0.00 N ATOM 0 H HIS B 24 8.738 -11.050 -5.276 1.00 0.00 H new ATOM 0 HA HIS B 24 9.980 -13.237 -3.941 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.727 -11.613 -2.691 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.329 -11.767 -3.737 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.077 -13.782 -0.864 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.188 -15.327 -1.377 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.277 -15.465 0.073 1.00 0.00 H new ATOM 1498 N GLY B 25 7.696 -13.894 -6.165 1.00 0.00 N ATOM 1499 CA GLY B 25 7.032 -14.985 -6.837 1.00 0.00 C ATOM 1500 C GLY B 25 5.693 -14.600 -7.401 1.00 0.00 C ATOM 1501 O GLY B 25 4.973 -15.442 -7.936 1.00 0.00 O ATOM 0 H GLY B 25 7.583 -12.979 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.669 -15.349 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.901 -15.810 -6.137 1.00 0.00 H new ATOM 1505 N LEU B 26 5.337 -13.348 -7.253 1.00 0.00 N ATOM 1506 CA LEU B 26 4.139 -12.813 -7.786 1.00 0.00 C ATOM 1507 C LEU B 26 4.054 -12.892 -9.296 1.00 0.00 C ATOM 1508 O LEU B 26 5.037 -12.684 -10.019 1.00 0.00 O ATOM 1509 CB LEU B 26 3.978 -11.387 -7.325 1.00 0.00 C ATOM 1510 CG LEU B 26 3.270 -11.189 -6.000 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.928 -11.894 -4.844 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.011 -9.724 -5.725 1.00 0.00 C ATOM 0 H LEU B 26 5.898 -12.666 -6.742 1.00 0.00 H new ATOM 0 HA LEU B 26 3.323 -13.430 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.968 -10.935 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.430 -10.839 -8.092 1.00 0.00 H new ATOM 0 HG LEU B 26 2.301 -11.677 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.362 -11.704 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.953 -12.966 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.946 -11.523 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.502 -9.618 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.959 -9.187 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.385 -9.310 -6.516 1.00 0.00 H new ATOM 1524 N ASP B 27 2.876 -13.225 -9.743 1.00 0.00 N ATOM 1525 CA ASP B 27 2.520 -13.263 -11.152 1.00 0.00 C ATOM 1526 C ASP B 27 2.373 -11.829 -11.636 1.00 0.00 C ATOM 1527 O ASP B 27 2.348 -10.909 -10.817 1.00 0.00 O ATOM 1528 CB ASP B 27 1.159 -13.945 -11.341 1.00 0.00 C ATOM 1529 CG ASP B 27 1.047 -15.316 -10.732 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.527 -16.294 -11.333 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.443 -15.449 -9.642 1.00 0.00 O ATOM 0 H ASP B 27 2.107 -13.487 -9.126 1.00 0.00 H new ATOM 0 HA ASP B 27 3.288 -13.808 -11.700 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.387 -13.308 -10.910 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.952 -14.020 -12.408 1.00 0.00 H new ATOM 1536 N HIS B 28 2.216 -11.626 -12.927 1.00 0.00 N ATOM 1537 CA HIS B 28 2.048 -10.261 -13.447 1.00 0.00 C ATOM 1538 C HIS B 28 0.792 -9.605 -12.924 1.00 0.00 C ATOM 1539 O HIS B 28 0.807 -8.445 -12.508 1.00 0.00 O ATOM 1540 CB HIS B 28 2.145 -10.168 -14.980 1.00 0.00 C ATOM 1541 CG HIS B 28 1.256 -11.061 -15.810 1.00 0.00 C ATOM 1542 ND1 HIS B 28 1.685 -12.235 -16.378 1.00 0.00 N ATOM 1543 CD2 HIS B 28 -0.023 -10.893 -16.229 1.00 0.00 C ATOM 1544 CE1 HIS B 28 0.701 -12.734 -17.108 1.00 0.00 C ATOM 1545 NE2 HIS B 28 -0.372 -11.961 -17.058 1.00 0.00 N ATOM 0 H HIS B 28 2.199 -12.363 -13.632 1.00 0.00 H new ATOM 0 HA HIS B 28 2.898 -9.698 -13.062 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.937 -9.136 -15.264 1.00 0.00 H new ATOM 0 HB3 HIS B 28 3.178 -10.374 -15.261 1.00 0.00 H new ATOM 0 HD2 HIS B 28 -0.667 -10.067 -15.964 1.00 0.00 H new ATOM 0 HE1 HIS B 28 0.765 -13.653 -17.672 1.00 0.00 H new ATOM 0 HE2 HIS B 28 -1.265 -12.113 -17.526 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.271 -10.368 -12.901 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.547 -9.903 -12.358 1.00 0.00 C ATOM 1555 C ASP B 29 -1.402 -9.537 -10.906 1.00 0.00 C ATOM 1556 O ASP B 29 -1.952 -8.542 -10.465 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.669 -10.926 -12.493 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.165 -11.144 -13.898 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.905 -10.277 -14.446 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.862 -12.194 -14.481 1.00 0.00 O ATOM 0 H ASP B 29 -0.290 -11.325 -13.253 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.820 -9.029 -12.950 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.321 -11.879 -12.094 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.507 -10.608 -11.873 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.627 -10.335 -10.174 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.352 -10.079 -8.765 1.00 0.00 C ATOM 1567 C LYS B 30 0.244 -8.691 -8.595 1.00 0.00 C ATOM 1568 O LYS B 30 -0.202 -7.920 -7.761 1.00 0.00 O ATOM 1569 CB LYS B 30 0.650 -11.072 -8.218 1.00 0.00 C ATOM 1570 CG LYS B 30 0.189 -12.497 -8.002 1.00 0.00 C ATOM 1571 CD LYS B 30 -0.642 -12.658 -6.752 1.00 0.00 C ATOM 1572 CE LYS B 30 -0.897 -14.132 -6.439 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.393 -14.906 -7.609 1.00 0.00 N ATOM 0 H LYS B 30 -0.175 -11.173 -10.540 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.296 -10.168 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.502 -11.096 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS B 30 1.013 -10.690 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.393 -12.821 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.059 -13.151 -7.941 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.132 -12.189 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.593 -12.141 -6.876 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.027 -14.585 -6.078 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.624 -14.204 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.874 -15.766 -7.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.061 -14.323 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.591 -15.170 -8.216 1.00 0.00 H new ATOM 1587 N VAL B 31 1.236 -8.382 -9.430 1.00 0.00 N ATOM 1588 CA VAL B 31 1.937 -7.115 -9.381 1.00 0.00 C ATOM 1589 C VAL B 31 0.970 -5.979 -9.683 1.00 0.00 C ATOM 1590 O VAL B 31 0.971 -4.964 -9.002 1.00 0.00 O ATOM 1591 CB VAL B 31 3.123 -7.079 -10.388 1.00 0.00 C ATOM 1592 CG1 VAL B 31 3.945 -5.809 -10.244 1.00 0.00 C ATOM 1593 CG2 VAL B 31 3.997 -8.304 -10.232 1.00 0.00 C ATOM 0 H VAL B 31 1.571 -9.011 -10.159 1.00 0.00 H new ATOM 0 HA VAL B 31 2.345 -6.995 -8.377 1.00 0.00 H new ATOM 0 HB VAL B 31 2.699 -7.082 -11.392 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.763 -5.822 -10.964 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.311 -4.942 -10.430 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.351 -5.751 -9.234 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.819 -8.257 -10.946 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.397 -8.339 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.405 -9.200 -10.419 1.00 0.00 H new ATOM 1603 N LEU B 32 0.113 -6.186 -10.671 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.881 -5.190 -11.071 1.00 0.00 C ATOM 1605 C LEU B 32 -1.872 -4.919 -9.944 1.00 0.00 C ATOM 1606 O LEU B 32 -2.157 -3.767 -9.616 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.628 -5.642 -12.327 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.762 -5.916 -13.555 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.619 -6.332 -14.731 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.092 -4.707 -13.901 1.00 0.00 C ATOM 0 H LEU B 32 0.083 -7.045 -11.220 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.349 -4.265 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.184 -6.549 -12.089 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.360 -4.877 -12.586 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.089 -6.740 -13.319 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.983 -6.522 -15.595 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.169 -7.239 -14.478 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.324 -5.535 -14.968 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.699 -4.929 -14.779 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.553 -3.854 -14.112 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.744 -4.469 -13.060 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.360 -5.980 -9.336 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.312 -5.873 -8.244 1.00 0.00 C ATOM 1624 C LEU B 33 -2.660 -5.220 -7.029 1.00 0.00 C ATOM 1625 O LEU B 33 -3.226 -4.305 -6.424 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.847 -7.253 -7.864 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.573 -8.035 -8.959 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.927 -9.436 -8.478 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.819 -7.301 -9.410 1.00 0.00 C ATOM 0 H LEU B 33 -2.111 -6.938 -9.581 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.143 -5.251 -8.577 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.010 -7.857 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.529 -7.133 -7.022 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.899 -8.123 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.443 -9.974 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.015 -9.970 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.577 -9.368 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.318 -7.877 -10.189 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.494 -7.175 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.543 -6.322 -9.803 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.461 -5.667 -6.706 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.728 -5.156 -5.569 1.00 0.00 C ATOM 1643 C PHE B 34 -0.395 -3.684 -5.745 1.00 0.00 C ATOM 1644 O PHE B 34 -0.690 -2.880 -4.873 1.00 0.00 O ATOM 1645 CB PHE B 34 0.551 -5.980 -5.326 1.00 0.00 C ATOM 1646 CG PHE B 34 1.379 -5.495 -4.167 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.044 -5.841 -2.873 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.480 -4.675 -4.371 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.785 -5.384 -1.808 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.220 -4.213 -3.306 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.871 -4.568 -2.026 1.00 0.00 C ATOM 0 H PHE B 34 -0.970 -6.394 -7.226 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.367 -5.251 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.274 -7.020 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.161 -5.960 -6.229 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.190 -6.478 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.759 -4.396 -5.376 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.514 -5.666 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.073 -3.573 -3.477 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.450 -4.206 -1.189 1.00 0.00 H new ATOM 1661 N SER B 35 0.173 -3.333 -6.889 1.00 0.00 N ATOM 1662 CA SER B 35 0.591 -1.968 -7.149 1.00 0.00 C ATOM 1663 C SER B 35 -0.574 -0.990 -7.095 1.00 0.00 C ATOM 1664 O SER B 35 -0.433 0.130 -6.590 1.00 0.00 O ATOM 1665 CB SER B 35 1.321 -1.872 -8.492 1.00 0.00 C ATOM 1666 OG SER B 35 0.539 -2.400 -9.547 1.00 0.00 O ATOM 0 H SER B 35 0.355 -3.981 -7.655 1.00 0.00 H new ATOM 0 HA SER B 35 1.283 -1.686 -6.355 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.562 -0.830 -8.703 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.266 -2.412 -8.433 1.00 0.00 H new ATOM 0 HG SER B 35 0.743 -3.352 -9.661 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.728 -1.419 -7.572 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.862 -0.549 -7.597 1.00 0.00 C ATOM 1674 C ARG B 36 -3.470 -0.383 -6.210 1.00 0.00 C ATOM 1675 O ARG B 36 -3.869 0.727 -5.844 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.893 -0.991 -8.638 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.710 -2.223 -8.302 1.00 0.00 C ATOM 1678 CD ARG B 36 -5.441 -2.729 -9.534 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.058 -1.632 -10.301 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.292 -1.677 -11.615 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.258 -2.831 -12.261 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -6.618 -0.574 -12.268 1.00 0.00 N ATOM 0 H ARG B 36 -1.892 -2.356 -7.941 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.513 0.436 -7.906 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.580 -0.163 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.372 -1.173 -9.578 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -4.057 -3.004 -7.913 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -5.428 -1.987 -7.517 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.743 -3.270 -10.173 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -6.212 -3.438 -9.232 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.323 -0.786 -9.797 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.052 -3.693 -11.755 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -6.438 -2.859 -13.265 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -6.691 0.312 -11.768 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -6.797 -0.609 -13.272 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.500 -1.454 -5.411 1.00 0.00 N ATOM 1697 CA ASP B 37 -4.072 -1.343 -4.065 1.00 0.00 C ATOM 1698 C ASP B 37 -3.101 -0.636 -3.153 1.00 0.00 C ATOM 1699 O ASP B 37 -3.499 0.067 -2.231 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.476 -2.690 -3.472 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.363 -2.522 -2.233 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.534 -2.085 -2.382 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -4.940 -2.861 -1.110 1.00 0.00 O ATOM 0 H ASP B 37 -3.148 -2.378 -5.660 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.988 -0.760 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -5.008 -3.274 -4.224 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.582 -3.253 -3.205 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.820 -0.805 -3.437 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.762 -0.103 -2.728 1.00 0.00 C ATOM 1710 C LEU B 38 -0.849 1.379 -3.009 1.00 0.00 C ATOM 1711 O LEU B 38 -0.723 2.199 -2.105 1.00 0.00 O ATOM 1712 CB LEU B 38 0.618 -0.655 -3.127 1.00 0.00 C ATOM 1713 CG LEU B 38 1.847 0.130 -2.650 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.856 0.293 -1.151 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.108 -0.558 -3.097 1.00 0.00 C ATOM 0 H LEU B 38 -1.484 -1.434 -4.167 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.890 -0.263 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.698 -1.673 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.657 -0.717 -4.215 1.00 0.00 H new ATOM 0 HG LEU B 38 1.797 1.124 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.741 0.854 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.962 0.832 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.871 -0.689 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.973 0.008 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.142 -1.563 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.124 -0.618 -4.185 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.085 1.720 -4.263 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.249 3.111 -4.646 1.00 0.00 C ATOM 1729 C ASP B 39 -2.472 3.683 -3.944 1.00 0.00 C ATOM 1730 O ASP B 39 -2.435 4.797 -3.425 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.380 3.253 -6.158 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.399 4.694 -6.600 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.304 5.322 -6.671 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.489 5.228 -6.890 1.00 0.00 O ATOM 0 H ASP B 39 -1.167 1.055 -5.032 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.363 3.669 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.550 2.738 -6.642 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.295 2.762 -6.488 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.539 2.885 -3.891 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.747 3.242 -3.148 1.00 0.00 C ATOM 1741 C LYS B 40 -4.411 3.488 -1.687 1.00 0.00 C ATOM 1742 O LYS B 40 -4.797 4.498 -1.131 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.802 2.128 -3.226 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.518 1.990 -4.550 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.414 0.725 -4.644 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.516 0.615 -3.562 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.023 0.158 -2.227 1.00 0.00 N ATOM 0 H LYS B 40 -3.590 1.980 -4.358 1.00 0.00 H new ATOM 0 HA LYS B 40 -5.151 4.148 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.318 1.179 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.546 2.303 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.134 2.874 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.780 1.962 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.888 0.707 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.777 -0.157 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.994 1.588 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -9.283 -0.077 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.748 -0.434 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.151 -0.395 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -7.827 0.985 -1.628 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.668 2.565 -1.097 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.281 2.624 0.307 1.00 0.00 C ATOM 1763 C LEU B 41 -2.443 3.847 0.608 1.00 0.00 C ATOM 1764 O LEU B 41 -2.655 4.518 1.615 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.555 1.338 0.718 1.00 0.00 C ATOM 1766 CG LEU B 41 -1.971 1.295 2.133 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.015 1.635 3.173 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.408 -0.070 2.406 1.00 0.00 C ATOM 0 H LEU B 41 -3.311 1.743 -1.584 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.192 2.709 0.900 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.252 0.506 0.613 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.744 1.165 0.011 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.179 2.041 2.195 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -2.566 1.595 4.166 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -3.399 2.638 2.989 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -3.833 0.917 3.115 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -0.993 -0.098 3.414 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.200 -0.814 2.319 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.622 -0.290 1.684 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.522 4.144 -0.255 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.727 5.319 -0.090 1.00 0.00 C ATOM 1782 C ILE B 42 -1.603 6.557 -0.187 1.00 0.00 C ATOM 1783 O ILE B 42 -1.598 7.363 0.716 1.00 0.00 O ATOM 1784 CB ILE B 42 0.506 5.340 -1.039 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.446 4.203 -0.632 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.231 6.677 -0.994 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.721 4.123 -1.423 1.00 0.00 C ATOM 0 H ILE B 42 -1.303 3.588 -1.082 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.295 5.312 0.911 1.00 0.00 H new ATOM 0 HB ILE B 42 0.168 5.201 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.696 4.318 0.423 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.913 3.257 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.085 6.651 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.550 7.471 -1.301 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.578 6.869 0.021 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.321 3.288 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.487 3.973 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.282 5.050 -1.304 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.447 6.649 -1.207 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.369 7.799 -1.313 1.00 0.00 C ATOM 1801 C ASN B 43 -4.338 7.855 -0.137 1.00 0.00 C ATOM 1802 O ASN B 43 -4.735 8.934 0.286 1.00 0.00 O ATOM 1803 CB ASN B 43 -4.148 7.833 -2.632 1.00 0.00 C ATOM 1804 CG ASN B 43 -3.297 8.231 -3.828 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -3.153 9.419 -4.145 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.734 7.270 -4.495 1.00 0.00 N ATOM 0 H ASN B 43 -2.521 5.966 -1.961 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.731 8.682 -1.291 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.581 6.849 -2.815 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.978 8.533 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.153 7.484 -5.306 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.872 6.301 -4.208 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.647 6.689 0.422 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.547 6.531 1.576 1.00 0.00 C ATOM 1815 C LYS B 44 -5.001 7.297 2.784 1.00 0.00 C ATOM 1816 O LYS B 44 -5.740 7.716 3.660 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.692 5.028 1.931 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.694 4.705 3.046 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.514 3.280 3.617 1.00 0.00 C ATOM 1820 CE LYS B 44 -6.715 2.160 2.580 1.00 0.00 C ATOM 1821 NZ LYS B 44 -6.622 0.787 3.192 1.00 0.00 N ATOM 0 H LYS B 44 -4.273 5.803 0.082 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.525 6.935 1.314 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.989 4.488 1.032 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.714 4.646 2.224 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.582 5.431 3.851 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.708 4.812 2.660 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.514 3.193 4.041 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.220 3.135 4.434 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.689 2.278 2.106 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -5.965 2.256 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -6.441 0.086 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -5.844 0.767 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -7.516 0.559 3.671 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.710 7.450 2.817 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.051 8.162 3.882 1.00 0.00 C ATOM 1837 C PHE B 45 -2.436 9.489 3.436 1.00 0.00 C ATOM 1838 O PHE B 45 -2.311 10.432 4.226 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.019 7.258 4.524 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.623 6.294 5.492 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.138 5.075 5.073 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.703 6.628 6.828 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.710 4.207 5.974 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.278 5.765 7.735 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.784 4.553 7.304 1.00 0.00 C ATOM 0 H PHE B 45 -3.078 7.084 2.105 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.809 8.432 4.617 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.492 6.705 3.747 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.277 7.868 5.039 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.089 4.805 4.028 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.311 7.576 7.166 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.100 3.257 5.639 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.333 6.035 8.779 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.238 3.876 8.012 1.00 0.00 H new ATOM 1855 N MET B 46 -2.106 9.573 2.185 1.00 0.00 N ATOM 1856 CA MET B 46 -1.444 10.749 1.628 1.00 0.00 C ATOM 1857 C MET B 46 -2.440 11.804 1.237 1.00 0.00 C ATOM 1858 O MET B 46 -2.149 12.990 1.281 1.00 0.00 O ATOM 1859 CB MET B 46 -0.629 10.353 0.408 1.00 0.00 C ATOM 1860 CG MET B 46 0.537 9.461 0.754 1.00 0.00 C ATOM 1861 SD MET B 46 1.777 10.283 1.728 1.00 0.00 S ATOM 1862 CE MET B 46 2.381 11.403 0.498 1.00 0.00 C ATOM 0 H MET B 46 -2.282 8.834 1.505 1.00 0.00 H new ATOM 0 HA MET B 46 -0.790 11.160 2.397 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.275 9.840 -0.305 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.260 11.252 -0.085 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.172 8.591 1.300 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.991 9.093 -0.166 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.316 11.848 0.839 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.555 10.862 -0.432 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.645 12.189 0.329 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.625 11.382 0.862 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.648 12.337 0.419 1.00 0.00 C ATOM 1874 C ASN B 47 -5.903 12.221 1.228 1.00 0.00 C ATOM 1875 O ASN B 47 -6.594 13.208 1.514 1.00 0.00 O ATOM 1876 CB ASN B 47 -4.988 12.158 -1.076 1.00 0.00 C ATOM 1877 CG ASN B 47 -5.989 13.204 -1.590 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -5.941 14.378 -1.205 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -6.926 12.778 -2.404 1.00 0.00 N ATOM 0 H ASN B 47 -3.914 10.404 0.850 1.00 0.00 H new ATOM 0 HA ASN B 47 -4.223 13.330 0.568 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.071 12.221 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -5.399 11.161 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -7.643 13.422 -2.738 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -6.937 11.803 -2.703 1.00 0.00 H new ATOM 1886 N VAL B 48 -6.155 11.057 1.627 1.00 0.00 N ATOM 1887 CA VAL B 48 -7.399 10.717 2.243 1.00 0.00 C ATOM 1888 C VAL B 48 -7.381 10.929 3.708 1.00 0.00 C ATOM 1889 O VAL B 48 -6.686 10.269 4.466 1.00 0.00 O ATOM 1890 CB VAL B 48 -7.886 9.292 1.919 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -9.248 9.008 2.555 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -7.946 9.063 0.426 1.00 0.00 C ATOM 0 H VAL B 48 -5.503 10.277 1.544 1.00 0.00 H new ATOM 0 HA VAL B 48 -8.118 11.407 1.801 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.162 8.598 2.346 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.561 7.994 2.306 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -9.172 9.109 3.638 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -9.982 9.718 2.175 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -8.293 8.049 0.227 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.635 9.777 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -6.953 9.197 -0.003 1.00 0.00 H new ATOM 1902 N LYS B 49 -8.081 11.912 4.044 1.00 0.00 N ATOM 1903 CA LYS B 49 -8.444 12.262 5.324 1.00 0.00 C ATOM 1904 C LYS B 49 -9.536 13.281 5.155 1.00 0.00 C ATOM 1905 O LYS B 49 -9.267 14.455 4.875 1.00 0.00 O ATOM 1906 CB LYS B 49 -7.268 12.737 6.188 1.00 0.00 C ATOM 1907 CG LYS B 49 -6.435 13.883 5.649 1.00 0.00 C ATOM 1908 CD LYS B 49 -5.446 14.352 6.709 1.00 0.00 C ATOM 1909 CE LYS B 49 -4.726 15.626 6.305 1.00 0.00 C ATOM 1910 NZ LYS B 49 -3.907 15.467 5.092 1.00 0.00 N ATOM 0 H LYS B 49 -8.453 12.561 3.350 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.801 11.400 5.888 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -7.661 13.032 7.161 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.606 11.887 6.356 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.899 13.565 4.755 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -7.084 14.708 5.355 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -5.975 14.519 7.647 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -4.713 13.566 6.892 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -5.460 16.414 6.140 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.088 15.952 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.428 16.364 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -3.197 14.724 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -4.518 15.200 4.293 1.00 0.00 H new ATOM 1924 N ASP B 50 -10.761 12.768 5.183 1.00 0.00 N ATOM 1925 CA ASP B 50 -12.004 13.512 4.918 1.00 0.00 C ATOM 1926 C ASP B 50 -11.969 14.952 5.368 1.00 0.00 C ATOM 1927 O ASP B 50 -11.980 15.264 6.548 1.00 0.00 O ATOM 1928 CB ASP B 50 -13.242 12.773 5.466 1.00 0.00 C ATOM 1929 CG ASP B 50 -13.078 12.285 6.884 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -12.582 11.154 7.065 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -13.435 12.993 7.836 1.00 0.00 O ATOM 0 H ASP B 50 -10.931 11.786 5.398 1.00 0.00 H new ATOM 0 HA ASP B 50 -12.088 13.551 3.832 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -14.103 13.440 5.418 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -13.461 11.922 4.821 1.00 0.00 H new ATOM 1936 N LYS B 51 -11.888 15.836 4.391 1.00 0.00 N ATOM 1937 CA LYS B 51 -11.825 17.262 4.656 1.00 0.00 C ATOM 1938 C LYS B 51 -13.214 17.844 4.753 1.00 0.00 C ATOM 1939 O LYS B 51 -13.401 19.023 4.995 1.00 0.00 O ATOM 1940 CB LYS B 51 -10.973 17.989 3.608 1.00 0.00 C ATOM 1941 CG LYS B 51 -11.510 17.934 2.184 1.00 0.00 C ATOM 1942 CD LYS B 51 -10.534 18.590 1.224 1.00 0.00 C ATOM 1943 CE LYS B 51 -11.073 18.655 -0.191 1.00 0.00 C ATOM 1944 NZ LYS B 51 -12.276 19.506 -0.286 1.00 0.00 N ATOM 0 H LYS B 51 -11.864 15.590 3.401 1.00 0.00 H new ATOM 0 HA LYS B 51 -11.335 17.409 5.618 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -10.877 19.034 3.903 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -9.970 17.561 3.618 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -11.676 16.897 1.891 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -12.475 18.439 2.133 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -10.309 19.598 1.571 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -9.596 18.035 1.228 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -10.301 19.043 -0.856 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -11.313 17.649 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -12.484 19.703 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -13.084 19.014 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -12.108 20.401 0.216 1.00 0.00 H new ATOM 1958 N VAL B 52 -14.164 16.987 4.611 1.00 0.00 N ATOM 1959 CA VAL B 52 -15.552 17.339 4.689 1.00 0.00 C ATOM 1960 C VAL B 52 -16.005 17.321 6.144 1.00 0.00 C ATOM 1961 O VAL B 52 -15.889 16.301 6.830 1.00 0.00 O ATOM 1962 CB VAL B 52 -16.444 16.419 3.800 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -16.145 16.666 2.329 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -16.228 14.942 4.119 1.00 0.00 C ATOM 0 H VAL B 52 -14.001 15.996 4.433 1.00 0.00 H new ATOM 0 HA VAL B 52 -15.670 18.349 4.295 1.00 0.00 H new ATOM 0 HB VAL B 52 -17.484 16.665 4.015 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -16.773 16.019 1.716 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -16.352 17.708 2.086 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.096 16.448 2.129 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -16.867 14.334 3.479 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -15.185 14.681 3.943 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -16.478 14.755 5.163 1.00 0.00 H new ATOM 1974 N HIS B 53 -16.428 18.494 6.631 1.00 0.00 N ATOM 1975 CA HIS B 53 -16.872 18.708 8.029 1.00 0.00 C ATOM 1976 C HIS B 53 -15.714 18.524 9.005 1.00 0.00 C ATOM 1977 O HIS B 53 -15.906 18.426 10.223 1.00 0.00 O ATOM 1978 CB HIS B 53 -18.067 17.809 8.407 1.00 0.00 C ATOM 1979 CG HIS B 53 -19.307 18.090 7.614 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -19.761 17.298 6.589 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -20.190 19.109 7.712 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -20.869 17.843 6.098 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -21.182 18.952 6.743 1.00 0.00 N ATOM 0 H HIS B 53 -16.475 19.339 6.062 1.00 0.00 H new ATOM 0 HA HIS B 53 -17.217 19.739 8.100 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -17.785 16.766 8.265 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -18.287 17.939 9.467 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -20.136 19.917 8.427 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -21.439 17.432 5.278 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -21.979 19.564 6.570 1.00 0.00 H new ATOM 1991 N LYS B 54 -14.515 18.538 8.460 1.00 0.00 N ATOM 1992 CA LYS B 54 -13.302 18.359 9.218 1.00 0.00 C ATOM 1993 C LYS B 54 -12.971 19.654 9.917 1.00 0.00 C ATOM 1994 O LYS B 54 -13.240 20.738 9.377 1.00 0.00 O ATOM 1995 CB LYS B 54 -12.143 18.018 8.262 1.00 0.00 C ATOM 1996 CG LYS B 54 -10.789 17.779 8.945 1.00 0.00 C ATOM 1997 CD LYS B 54 -9.615 17.794 7.955 1.00 0.00 C ATOM 1998 CE LYS B 54 -9.486 19.164 7.289 1.00 0.00 C ATOM 1999 NZ LYS B 54 -8.275 19.304 6.445 1.00 0.00 N ATOM 0 H LYS B 54 -14.358 18.677 7.462 1.00 0.00 H new ATOM 0 HA LYS B 54 -13.440 17.554 9.940 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -12.410 17.126 7.695 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -12.033 18.831 7.544 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -10.629 18.545 9.704 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -10.811 16.819 9.461 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.690 17.549 8.477 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.764 17.027 7.195 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.369 19.345 6.676 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -9.471 19.934 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -8.446 20.018 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -7.472 19.601 7.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -8.056 18.391 5.998 1.00 0.00 H new ATOM 2013 N LEU B 55 -12.420 19.568 11.098 1.00 0.00 N ATOM 2014 CA LEU B 55 -11.949 20.749 11.755 1.00 0.00 C ATOM 2015 C LEU B 55 -10.656 21.164 11.089 1.00 0.00 C ATOM 2016 O LEU B 55 -9.615 20.531 11.280 1.00 0.00 O ATOM 2017 CB LEU B 55 -11.743 20.560 13.274 1.00 0.00 C ATOM 2018 CG LEU B 55 -13.000 20.429 14.159 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -13.740 19.120 13.930 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -12.631 20.586 15.622 1.00 0.00 C ATOM 0 H LEU B 55 -12.289 18.700 11.618 1.00 0.00 H new ATOM 0 HA LEU B 55 -12.709 21.525 11.658 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -11.135 19.667 13.421 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -11.161 21.406 13.641 1.00 0.00 H new ATOM 0 HG LEU B 55 -13.681 21.230 13.873 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -14.616 19.079 14.577 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -14.055 19.058 12.888 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -13.080 18.284 14.160 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -13.527 20.491 16.235 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -11.916 19.812 15.902 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -12.184 21.567 15.781 1.00 0.00 H new ATOM 2032 N GLU B 56 -10.751 22.150 10.238 1.00 0.00 N ATOM 2033 CA GLU B 56 -9.616 22.644 9.517 1.00 0.00 C ATOM 2034 C GLU B 56 -9.302 24.003 10.055 1.00 0.00 C ATOM 2035 O GLU B 56 -10.007 24.974 9.779 1.00 0.00 O ATOM 2036 CB GLU B 56 -9.912 22.689 8.015 1.00 0.00 C ATOM 2037 CG GLU B 56 -8.703 23.003 7.142 1.00 0.00 C ATOM 2038 CD GLU B 56 -8.989 22.769 5.683 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -9.013 21.595 5.268 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -9.241 23.733 4.932 1.00 0.00 O ATOM 0 H GLU B 56 -11.624 22.634 10.026 1.00 0.00 H new ATOM 0 HA GLU B 56 -8.757 21.986 9.647 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -10.325 21.727 7.710 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.681 23.439 7.831 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.407 24.041 7.292 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -7.861 22.383 7.451 1.00 0.00 H new ATOM 2047 N HIS B 57 -8.314 24.056 10.876 1.00 0.00 N ATOM 2048 CA HIS B 57 -7.948 25.272 11.540 1.00 0.00 C ATOM 2049 C HIS B 57 -7.067 26.106 10.649 1.00 0.00 C ATOM 2050 O HIS B 57 -5.959 25.698 10.290 1.00 0.00 O ATOM 2051 CB HIS B 57 -7.264 24.972 12.883 1.00 0.00 C ATOM 2052 CG HIS B 57 -8.125 24.172 13.826 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -8.124 22.797 13.880 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -9.046 24.574 14.740 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -9.012 22.409 14.780 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -9.609 23.446 15.346 1.00 0.00 N ATOM 0 H HIS B 57 -7.728 23.255 11.113 1.00 0.00 H new ATOM 0 HA HIS B 57 -8.852 25.843 11.752 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -6.338 24.428 12.697 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -6.990 25.912 13.361 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -9.302 25.599 14.963 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -9.223 21.378 15.022 1.00 0.00 H new ATOM 0 HE2 HIS B 57 -10.327 23.427 16.070 1.00 0.00 H new ATOM 2064 N HIS B 58 -7.579 27.233 10.256 1.00 0.00 N ATOM 2065 CA HIS B 58 -6.862 28.163 9.441 1.00 0.00 C ATOM 2066 C HIS B 58 -6.721 29.461 10.215 1.00 0.00 C ATOM 2067 O HIS B 58 -7.567 30.353 10.140 1.00 0.00 O ATOM 2068 CB HIS B 58 -7.572 28.365 8.074 1.00 0.00 C ATOM 2069 CG HIS B 58 -6.916 29.359 7.139 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -5.823 29.083 6.354 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -7.244 30.646 6.871 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -5.526 30.180 5.653 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -6.364 31.164 5.930 1.00 0.00 N ATOM 0 H HIS B 58 -8.523 27.536 10.497 1.00 0.00 H new ATOM 0 HA HIS B 58 -5.868 27.779 9.211 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -7.630 27.401 7.569 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -8.596 28.689 8.261 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -8.064 31.186 7.320 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -4.708 30.254 4.952 1.00 0.00 H new ATOM 0 HE2 HIS B 58 -6.364 32.105 5.536 1.00 0.00 H new ATOM 2081 N HIS B 59 -5.708 29.515 11.033 1.00 0.00 N ATOM 2082 CA HIS B 59 -5.443 30.692 11.844 1.00 0.00 C ATOM 2083 C HIS B 59 -4.490 31.595 11.093 1.00 0.00 C ATOM 2084 O HIS B 59 -4.413 32.797 11.330 1.00 0.00 O ATOM 2085 CB HIS B 59 -4.829 30.291 13.192 1.00 0.00 C ATOM 2086 CG HIS B 59 -5.649 29.310 13.989 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -6.955 29.352 14.359 1.00 0.00 N flip ATOM 2088 CD2 HIS B 59 -5.140 28.147 14.531 1.00 0.00 C flip ATOM 2089 CE1 HIS B 59 -7.252 28.225 15.122 1.00 0.00 C flip ATOM 2090 NE2 HIS B 59 -6.122 27.532 15.194 1.00 0.00 N flip ATOM 0 H HIS B 59 -5.041 28.755 11.163 1.00 0.00 H new ATOM 0 HA HIS B 59 -6.379 31.215 12.038 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -3.844 29.860 13.014 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -4.680 31.190 13.790 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -4.123 27.795 14.435 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -8.204 27.968 15.563 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -6.018 26.647 15.690 1.00 0.00 H new ATOM 2098 N HIS B 60 -3.793 30.988 10.184 1.00 0.00 N ATOM 2099 CA HIS B 60 -2.824 31.607 9.336 1.00 0.00 C ATOM 2100 C HIS B 60 -2.580 30.607 8.231 1.00 0.00 C ATOM 2101 O HIS B 60 -3.352 29.651 8.110 1.00 0.00 O ATOM 2102 CB HIS B 60 -1.508 31.931 10.122 1.00 0.00 C ATOM 2103 CG HIS B 60 -0.787 30.739 10.723 1.00 0.00 C ATOM 2104 ND1 HIS B 60 0.299 30.122 10.139 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -1.012 30.073 11.880 1.00 0.00 C ATOM 2106 CE1 HIS B 60 0.689 29.125 10.933 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -0.077 29.047 12.015 1.00 0.00 N ATOM 0 H HIS B 60 -3.891 29.989 10.004 1.00 0.00 H new ATOM 0 HA HIS B 60 -3.172 32.563 8.945 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -0.822 32.445 9.448 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -1.749 32.628 10.924 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -1.794 30.301 12.589 1.00 0.00 H new ATOM 0 HE1 HIS B 60 1.519 28.467 10.724 1.00 0.00 H new ATOM 0 HE2 HIS B 60 0.002 28.379 12.782 1.00 0.00 H new ATOM 2115 N HIS B 61 -1.571 30.783 7.442 1.00 0.00 N ATOM 2116 CA HIS B 61 -1.271 29.814 6.428 1.00 0.00 C ATOM 2117 C HIS B 61 -0.508 28.660 7.074 1.00 0.00 C ATOM 2118 O HIS B 61 0.695 28.772 7.348 1.00 0.00 O ATOM 2119 CB HIS B 61 -0.464 30.450 5.284 1.00 0.00 C ATOM 2120 CG HIS B 61 -0.177 29.532 4.128 1.00 0.00 C ATOM 2121 ND1 HIS B 61 -0.851 29.575 2.932 1.00 0.00 N ATOM 2122 CD2 HIS B 61 0.751 28.553 3.996 1.00 0.00 C ATOM 2123 CE1 HIS B 61 -0.331 28.650 2.132 1.00 0.00 C ATOM 2124 NE2 HIS B 61 0.651 27.996 2.730 1.00 0.00 N ATOM 0 H HIS B 61 -0.940 31.584 7.476 1.00 0.00 H new ATOM 0 HA HIS B 61 -2.195 29.436 5.990 1.00 0.00 H new ATOM 0 HB2 HIS B 61 -1.008 31.319 4.913 1.00 0.00 H new ATOM 0 HB3 HIS B 61 0.482 30.814 5.684 1.00 0.00 H new ATOM 0 HD2 HIS B 61 1.457 28.254 4.757 1.00 0.00 H new ATOM 0 HE1 HIS B 61 -0.667 28.457 1.124 1.00 0.00 H new ATOM 0 HE2 HIS B 61 1.216 27.241 2.342 1.00 0.00 H new ATOM 2132 N HIS B 62 -1.220 27.604 7.377 1.00 0.00 N ATOM 2133 CA HIS B 62 -0.635 26.428 7.979 1.00 0.00 C ATOM 2134 C HIS B 62 0.002 25.589 6.893 1.00 0.00 C ATOM 2135 O HIS B 62 1.228 25.639 6.734 1.00 0.00 O ATOM 2136 CB HIS B 62 -1.687 25.599 8.747 1.00 0.00 C ATOM 2137 CG HIS B 62 -2.316 26.280 9.933 1.00 0.00 C ATOM 2138 ND1 HIS B 62 -2.128 25.887 11.233 1.00 0.00 N ATOM 2139 CD2 HIS B 62 -3.184 27.314 9.987 1.00 0.00 C ATOM 2140 CE1 HIS B 62 -2.866 26.665 12.016 1.00 0.00 C ATOM 2141 NE2 HIS B 62 -3.533 27.560 11.310 1.00 0.00 N ATOM 2142 OXT HIS B 62 -0.744 24.915 6.123 1.00 0.00 O ATOM 0 H HIS B 62 -2.224 27.533 7.214 1.00 0.00 H new ATOM 0 HA HIS B 62 0.119 26.742 8.701 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -2.478 25.316 8.052 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -1.217 24.676 9.088 1.00 0.00 H new ATOM 0 HD1 HIS B 62 -1.524 25.127 11.545 1.00 0.00 H new ATOM 0 HD2 HIS B 62 -3.550 27.865 9.133 1.00 0.00 H new ATOM 0 HE1 HIS B 62 -2.915 26.577 13.091 1.00 0.00 H new TER 2150 HIS B 62