USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1094 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 60 HIS : no HE2:sc= 1.05 K(o=2,f=-7.3!) USER MOD Set 1.2: B 62 HIS : no HE2:sc= 0.932 K(o=2,f=-2.4) USER MOD Set 2.1: B 47 ASN : amide:sc= 0.613 K(o=1.3,f=-5.3) USER MOD Set 2.2: B 49 LYS NZ :NH3+ -166:sc= 0.672 (180deg=-0.533) USER MOD Set 3.1: A 24 HIS : no HD1:sc= -0.52 K(o=-2.1,f=-3.8!) USER MOD Set 3.2: B 46 MET CE :methyl 151:sc= -1.54 (180deg=-4.03!) USER MOD Set 4.1: B 7 LYS NZ :NH3+ -170:sc= 2.41 (180deg=0.706) USER MOD Set 4.2: B 43 ASN : amide:sc= 1.11 K(o=3.5,f=-12!) USER MOD Set 5.1: A 46 MET CE :methyl 170:sc= -0.409 (180deg=-0.842) USER MOD Set 5.2: B 24 HIS :FLIP no HD1:sc= 0.0723 F(o=-1.4,f=-0.34) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0773 (180deg=-0.443) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0244) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 1.07 (180deg=0.933) USER MOD Single : A 8 ASN : amide:sc= 1.09 K(o=1.1,f=-0.012) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.21) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.55 (180deg=1.53) USER MOD Single : A 15 LYS NZ :NH3+ -141:sc= -0.362 (180deg=-2.08!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.6 F(o=-2.6!,f=-0.6) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= 0.993 (180deg=-0.289) USER MOD Single : A 35 SER OG : rot 81:sc= 1.21 USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -0.0559 (180deg=-0.416) USER MOD Single : A 43 ASN : amide:sc= 0.667 K(o=0.67,f=-0.33) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0488) USER MOD Single : A 47 ASN :FLIP amide:sc=-5.67e-05 F(o=-0.91,f=-5.7e-05) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= -0.004 (180deg=-0.0665) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc=-0.00454 (180deg=-0.167) USER MOD Single : A 57 HIS : no HD1:sc=-0.00087 X(o=-0.00087,f=-0.0071) USER MOD Single : A 58 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=-0.0093) USER MOD Single : A 59 HIS : no HD1:sc=-0.00154 X(o=-0.0015,f=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -165:sc= -0.0965 (180deg=-0.485) USER MOD Single : B 1 MET N :NH3+ -108:sc= 0.527 (180deg=-0.227) USER MOD Single : B 3 MET CE :methyl 157:sc= -0.187 (180deg=-0.885) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 8 ASN : amide:sc= 0.722 K(o=0.72,f=-0.0057) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : B 13 LYS NZ :NH3+ 172:sc= 2.43 (180deg=2.33) USER MOD Single : B 14 LYS NZ :NH3+ 170:sc= 1.43 (180deg=1.17) USER MOD Single : B 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0595) USER MOD Single : B 19 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 149:sc= 1.29 (180deg=-0.0513) USER MOD Single : B 35 SER OG : rot -90:sc= 1.17 USER MOD Single : B 40 LYS NZ :NH3+ -169:sc= -0.0237 (180deg=-0.154) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 HIS : no HE2:sc= 0.731 K(o=0.73,f=-2.3!) USER MOD Single : B 58 HIS : no HE2:sc= -0.189 X(o=-0.19,f=-0.33) USER MOD Single : B 59 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.19) USER MOD Single : B 61 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.773 -15.449 -4.018 1.00 0.00 N ATOM 2 CA MET A 1 17.571 -16.627 -3.629 1.00 0.00 C ATOM 3 C MET A 1 17.078 -17.239 -2.323 1.00 0.00 C ATOM 4 O MET A 1 16.714 -18.424 -2.282 1.00 0.00 O ATOM 5 CB MET A 1 19.073 -16.314 -3.542 1.00 0.00 C ATOM 6 CG MET A 1 19.709 -15.923 -4.869 1.00 0.00 C ATOM 7 SD MET A 1 21.492 -15.634 -4.743 1.00 0.00 S ATOM 8 CE MET A 1 21.546 -14.247 -3.600 1.00 0.00 C ATOM 0 H1 MET A 1 17.084 -15.112 -4.952 1.00 0.00 H new ATOM 0 H2 MET A 1 15.767 -15.710 -4.061 1.00 0.00 H new ATOM 0 H3 MET A 1 16.905 -14.693 -3.316 1.00 0.00 H new ATOM 0 HA MET A 1 17.433 -17.361 -4.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.223 -15.504 -2.828 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.592 -17.187 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.525 -16.711 -5.599 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.226 -15.021 -5.245 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.535 -13.789 -3.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.796 -13.510 -3.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.340 -14.600 -2.590 1.00 0.00 H new ATOM 20 N GLU A 2 17.057 -16.465 -1.267 1.00 0.00 N ATOM 21 CA GLU A 2 16.623 -16.954 0.011 1.00 0.00 C ATOM 22 C GLU A 2 15.446 -16.084 0.438 1.00 0.00 C ATOM 23 O GLU A 2 15.597 -14.875 0.642 1.00 0.00 O ATOM 24 CB GLU A 2 17.805 -16.886 1.005 1.00 0.00 C ATOM 25 CG GLU A 2 17.703 -17.781 2.250 1.00 0.00 C ATOM 26 CD GLU A 2 16.599 -17.413 3.202 1.00 0.00 C ATOM 27 OE1 GLU A 2 15.471 -17.925 3.051 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.835 -16.619 4.134 1.00 0.00 O ATOM 0 H GLU A 2 17.339 -15.485 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 2 16.302 -17.995 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.717 -17.148 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.915 -15.853 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.557 -18.812 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.652 -17.745 2.785 1.00 0.00 H new ATOM 35 N MET A 3 14.284 -16.701 0.551 1.00 0.00 N ATOM 36 CA MET A 3 13.034 -15.989 0.824 1.00 0.00 C ATOM 37 C MET A 3 13.022 -15.276 2.164 1.00 0.00 C ATOM 38 O MET A 3 12.369 -14.247 2.308 1.00 0.00 O ATOM 39 CB MET A 3 11.816 -16.899 0.668 1.00 0.00 C ATOM 40 CG MET A 3 11.624 -17.402 -0.751 1.00 0.00 C ATOM 41 SD MET A 3 11.460 -16.051 -1.944 1.00 0.00 S ATOM 42 CE MET A 3 11.352 -16.975 -3.474 1.00 0.00 C ATOM 0 H MET A 3 14.173 -17.711 0.457 1.00 0.00 H new ATOM 0 HA MET A 3 12.972 -15.208 0.066 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.920 -17.752 1.338 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.923 -16.357 0.978 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.471 -18.028 -1.030 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.735 -18.031 -0.794 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.247 -16.284 -4.310 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.257 -17.568 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.486 -17.636 -3.439 1.00 0.00 H new ATOM 52 N GLY A 4 13.759 -15.792 3.124 1.00 0.00 N ATOM 53 CA GLY A 4 13.844 -15.150 4.410 1.00 0.00 C ATOM 54 C GLY A 4 14.579 -13.839 4.291 1.00 0.00 C ATOM 55 O GLY A 4 14.126 -12.801 4.800 1.00 0.00 O ATOM 0 H GLY A 4 14.304 -16.650 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.843 -14.979 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.359 -15.801 5.116 1.00 0.00 H new ATOM 59 N GLN A 5 15.695 -13.869 3.574 1.00 0.00 N ATOM 60 CA GLN A 5 16.488 -12.673 3.345 1.00 0.00 C ATOM 61 C GLN A 5 15.681 -11.675 2.548 1.00 0.00 C ATOM 62 O GLN A 5 15.661 -10.483 2.868 1.00 0.00 O ATOM 63 CB GLN A 5 17.794 -12.978 2.620 1.00 0.00 C ATOM 64 CG GLN A 5 18.669 -14.006 3.306 1.00 0.00 C ATOM 65 CD GLN A 5 19.996 -14.208 2.603 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.115 -14.020 1.391 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.990 -14.605 3.342 1.00 0.00 N ATOM 0 H GLN A 5 16.071 -14.713 3.141 1.00 0.00 H new ATOM 0 HA GLN A 5 16.745 -12.256 4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.563 -13.329 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.359 -12.052 2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.851 -13.694 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.138 -14.957 3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.855 -14.751 4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.904 -14.771 2.921 1.00 0.00 H new ATOM 76 N LEU A 6 15.002 -12.187 1.537 1.00 0.00 N ATOM 77 CA LEU A 6 14.119 -11.413 0.680 1.00 0.00 C ATOM 78 C LEU A 6 13.037 -10.711 1.519 1.00 0.00 C ATOM 79 O LEU A 6 12.781 -9.523 1.336 1.00 0.00 O ATOM 80 CB LEU A 6 13.535 -12.365 -0.416 1.00 0.00 C ATOM 81 CG LEU A 6 12.486 -11.836 -1.430 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.096 -11.769 -0.823 1.00 0.00 C ATOM 83 CD2 LEU A 6 12.896 -10.480 -1.999 1.00 0.00 C ATOM 0 H LEU A 6 15.050 -13.174 1.283 1.00 0.00 H new ATOM 0 HA LEU A 6 14.665 -10.616 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.377 -12.749 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.087 -13.215 0.099 1.00 0.00 H new ATOM 0 HG LEU A 6 12.451 -12.551 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.392 -11.394 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.790 -12.765 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.107 -11.100 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.140 -10.138 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 6 12.988 -9.758 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 6 13.854 -10.575 -2.510 1.00 0.00 H new ATOM 95 N LYS A 7 12.445 -11.441 2.452 1.00 0.00 N ATOM 96 CA LYS A 7 11.419 -10.897 3.336 1.00 0.00 C ATOM 97 C LYS A 7 11.967 -9.745 4.152 1.00 0.00 C ATOM 98 O LYS A 7 11.321 -8.719 4.300 1.00 0.00 O ATOM 99 CB LYS A 7 10.901 -11.977 4.272 1.00 0.00 C ATOM 100 CG LYS A 7 9.400 -12.239 4.150 1.00 0.00 C ATOM 101 CD LYS A 7 8.540 -11.060 4.627 1.00 0.00 C ATOM 102 CE LYS A 7 8.646 -10.859 6.134 1.00 0.00 C ATOM 103 NZ LYS A 7 7.753 -9.788 6.620 1.00 0.00 N ATOM 0 H LYS A 7 12.659 -12.424 2.619 1.00 0.00 H new ATOM 0 HA LYS A 7 10.600 -10.532 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.438 -12.904 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.127 -11.692 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.159 -12.459 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.144 -13.125 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.854 -10.150 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.499 -11.235 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.400 -11.792 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.676 -10.616 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.884 -9.665 7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.981 -8.898 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.764 -10.046 6.426 1.00 0.00 H new ATOM 117 N ASN A 8 13.161 -9.926 4.669 1.00 0.00 N ATOM 118 CA ASN A 8 13.821 -8.894 5.458 1.00 0.00 C ATOM 119 C ASN A 8 14.171 -7.672 4.603 1.00 0.00 C ATOM 120 O ASN A 8 14.105 -6.537 5.076 1.00 0.00 O ATOM 121 CB ASN A 8 15.036 -9.437 6.219 1.00 0.00 C ATOM 122 CG ASN A 8 14.657 -10.287 7.431 1.00 0.00 C ATOM 123 OD1 ASN A 8 14.479 -9.766 8.540 1.00 0.00 O ATOM 124 ND2 ASN A 8 14.539 -11.580 7.249 1.00 0.00 N ATOM 0 H ASN A 8 13.704 -10.783 4.560 1.00 0.00 H new ATOM 0 HA ASN A 8 13.109 -8.562 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.644 -10.035 5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.653 -8.601 6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.294 -12.185 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.692 -11.981 6.324 1.00 0.00 H new ATOM 131 N LYS A 9 14.530 -7.907 3.338 1.00 0.00 N ATOM 132 CA LYS A 9 14.771 -6.813 2.385 1.00 0.00 C ATOM 133 C LYS A 9 13.488 -6.034 2.173 1.00 0.00 C ATOM 134 O LYS A 9 13.496 -4.797 2.124 1.00 0.00 O ATOM 135 CB LYS A 9 15.264 -7.344 1.033 1.00 0.00 C ATOM 136 CG LYS A 9 16.641 -7.981 1.050 1.00 0.00 C ATOM 137 CD LYS A 9 17.705 -6.970 1.428 1.00 0.00 C ATOM 138 CE LYS A 9 19.095 -7.567 1.332 1.00 0.00 C ATOM 139 NZ LYS A 9 20.140 -6.564 1.618 1.00 0.00 N ATOM 0 H LYS A 9 14.661 -8.840 2.948 1.00 0.00 H new ATOM 0 HA LYS A 9 15.543 -6.167 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.547 -8.078 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.271 -6.521 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.653 -8.809 1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.864 -8.399 0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.634 -6.102 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.529 -6.617 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.184 -8.396 2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.247 -7.977 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 21.077 -7.008 1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.070 -5.785 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.010 -6.191 2.580 1.00 0.00 H new ATOM 153 N ILE A 10 12.393 -6.770 2.045 1.00 0.00 N ATOM 154 CA ILE A 10 11.073 -6.190 1.914 1.00 0.00 C ATOM 155 C ILE A 10 10.752 -5.347 3.128 1.00 0.00 C ATOM 156 O ILE A 10 10.334 -4.207 2.981 1.00 0.00 O ATOM 157 CB ILE A 10 9.989 -7.282 1.691 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.157 -7.891 0.297 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.570 -6.746 1.899 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.163 -8.971 -0.028 1.00 0.00 C ATOM 0 H ILE A 10 12.400 -7.790 2.030 1.00 0.00 H new ATOM 0 HA ILE A 10 11.070 -5.549 1.033 1.00 0.00 H new ATOM 0 HB ILE A 10 10.131 -8.060 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.071 -7.098 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.163 -8.301 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.850 -7.547 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.468 -6.373 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.381 -5.935 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.352 -9.349 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.262 -9.785 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.153 -8.563 0.023 1.00 0.00 H new ATOM 172 N GLU A 11 10.995 -5.908 4.317 1.00 0.00 N ATOM 173 CA GLU A 11 10.789 -5.196 5.576 1.00 0.00 C ATOM 174 C GLU A 11 11.524 -3.881 5.569 1.00 0.00 C ATOM 175 O GLU A 11 10.931 -2.838 5.790 1.00 0.00 O ATOM 176 CB GLU A 11 11.263 -6.024 6.781 1.00 0.00 C ATOM 177 CG GLU A 11 10.457 -7.273 7.049 1.00 0.00 C ATOM 178 CD GLU A 11 9.015 -6.961 7.310 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.668 -6.554 8.428 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.190 -7.118 6.402 1.00 0.00 O ATOM 0 H GLU A 11 11.338 -6.862 4.431 1.00 0.00 H new ATOM 0 HA GLU A 11 9.717 -5.021 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.304 -6.307 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.236 -5.394 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.534 -7.945 6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.876 -7.799 7.907 1.00 0.00 H new ATOM 187 N ASN A 12 12.802 -3.940 5.261 1.00 0.00 N ATOM 188 CA ASN A 12 13.654 -2.761 5.235 1.00 0.00 C ATOM 189 C ASN A 12 13.156 -1.710 4.241 1.00 0.00 C ATOM 190 O ASN A 12 13.015 -0.547 4.593 1.00 0.00 O ATOM 191 CB ASN A 12 15.112 -3.145 4.931 1.00 0.00 C ATOM 192 CG ASN A 12 16.036 -1.937 4.843 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.577 -1.477 5.851 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.252 -1.444 3.655 1.00 0.00 N ATOM 0 H ASN A 12 13.284 -4.806 5.021 1.00 0.00 H new ATOM 0 HA ASN A 12 13.610 -2.314 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.475 -3.818 5.708 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.149 -3.694 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.886 -0.653 3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.787 -1.849 2.842 1.00 0.00 H new ATOM 201 N LYS A 13 12.845 -2.135 3.023 1.00 0.00 N ATOM 202 CA LYS A 13 12.422 -1.206 1.973 1.00 0.00 C ATOM 203 C LYS A 13 11.038 -0.606 2.310 1.00 0.00 C ATOM 204 O LYS A 13 10.773 0.572 2.050 1.00 0.00 O ATOM 205 CB LYS A 13 12.414 -1.919 0.604 1.00 0.00 C ATOM 206 CG LYS A 13 12.364 -0.984 -0.612 1.00 0.00 C ATOM 207 CD LYS A 13 13.578 -0.047 -0.662 1.00 0.00 C ATOM 208 CE LYS A 13 14.911 -0.777 -0.854 1.00 0.00 C ATOM 209 NZ LYS A 13 15.095 -1.276 -2.229 1.00 0.00 N ATOM 0 H LYS A 13 12.876 -3.113 2.735 1.00 0.00 H new ATOM 0 HA LYS A 13 13.134 -0.382 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.306 -2.541 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.555 -2.589 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.325 -1.578 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.449 -0.392 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.443 0.665 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.619 0.530 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.729 -0.102 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.965 -1.614 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.988 -1.805 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.304 -1.903 -2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.123 -0.473 -2.889 1.00 0.00 H new ATOM 223 N LYS A 14 10.186 -1.433 2.901 1.00 0.00 N ATOM 224 CA LYS A 14 8.880 -1.048 3.398 1.00 0.00 C ATOM 225 C LYS A 14 9.051 0.021 4.464 1.00 0.00 C ATOM 226 O LYS A 14 8.368 1.027 4.454 1.00 0.00 O ATOM 227 CB LYS A 14 8.214 -2.285 4.019 1.00 0.00 C ATOM 228 CG LYS A 14 6.834 -2.078 4.621 1.00 0.00 C ATOM 229 CD LYS A 14 6.341 -3.349 5.313 1.00 0.00 C ATOM 230 CE LYS A 14 7.104 -3.606 6.598 1.00 0.00 C ATOM 231 NZ LYS A 14 6.752 -4.895 7.229 1.00 0.00 N ATOM 0 H LYS A 14 10.395 -2.420 3.050 1.00 0.00 H new ATOM 0 HA LYS A 14 8.264 -0.658 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.140 -3.055 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.872 -2.673 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.866 -1.258 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.132 -1.790 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.277 -3.258 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.457 -4.200 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.174 -3.590 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.905 -2.797 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.291 -5.008 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.734 -4.911 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.983 -5.674 6.580 1.00 0.00 H new ATOM 245 N LYS A 15 9.990 -0.213 5.370 1.00 0.00 N ATOM 246 CA LYS A 15 10.278 0.714 6.447 1.00 0.00 C ATOM 247 C LYS A 15 10.828 2.020 5.914 1.00 0.00 C ATOM 248 O LYS A 15 10.427 3.078 6.378 1.00 0.00 O ATOM 249 CB LYS A 15 11.194 0.083 7.494 1.00 0.00 C ATOM 250 CG LYS A 15 10.554 -1.094 8.222 1.00 0.00 C ATOM 251 CD LYS A 15 11.525 -1.875 9.124 1.00 0.00 C ATOM 252 CE LYS A 15 11.940 -1.139 10.410 1.00 0.00 C ATOM 253 NZ LYS A 15 12.842 0.022 10.200 1.00 0.00 N ATOM 0 H LYS A 15 10.571 -1.051 5.376 1.00 0.00 H new ATOM 0 HA LYS A 15 9.339 0.947 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.111 -0.253 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.478 0.842 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.727 -0.726 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.130 -1.776 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.063 -2.823 9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.422 -2.111 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.041 -0.795 10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.433 -1.848 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.555 0.049 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.317 -0.069 9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.286 0.901 10.217 1.00 0.00 H new ATOM 267 N GLU A 16 11.711 1.947 4.904 1.00 0.00 N ATOM 268 CA GLU A 16 12.224 3.148 4.228 1.00 0.00 C ATOM 269 C GLU A 16 11.070 3.975 3.703 1.00 0.00 C ATOM 270 O GLU A 16 11.061 5.204 3.809 1.00 0.00 O ATOM 271 CB GLU A 16 13.120 2.798 3.049 1.00 0.00 C ATOM 272 CG GLU A 16 14.452 2.178 3.383 1.00 0.00 C ATOM 273 CD GLU A 16 15.238 1.895 2.129 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.604 2.856 1.409 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.474 0.733 1.808 1.00 0.00 O ATOM 0 H GLU A 16 12.083 1.070 4.539 1.00 0.00 H new ATOM 0 HA GLU A 16 12.805 3.704 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.577 2.112 2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.300 3.707 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.019 2.848 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.299 1.253 3.939 1.00 0.00 H new ATOM 282 N LEU A 17 10.097 3.286 3.157 1.00 0.00 N ATOM 283 CA LEU A 17 8.919 3.904 2.628 1.00 0.00 C ATOM 284 C LEU A 17 8.068 4.482 3.732 1.00 0.00 C ATOM 285 O LEU A 17 7.604 5.612 3.611 1.00 0.00 O ATOM 286 CB LEU A 17 8.153 2.906 1.725 1.00 0.00 C ATOM 287 CG LEU A 17 6.724 3.244 1.282 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.712 2.963 2.351 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.614 4.649 0.716 1.00 0.00 C ATOM 0 H LEU A 17 10.107 2.270 3.070 1.00 0.00 H new ATOM 0 HA LEU A 17 9.205 4.746 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.748 2.754 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.117 1.951 2.248 1.00 0.00 H new ATOM 0 HG LEU A 17 6.484 2.569 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.717 3.219 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.742 1.905 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.940 3.560 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.584 4.841 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.912 5.372 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.268 4.744 -0.151 1.00 0.00 H new ATOM 301 N ILE A 18 7.864 3.717 4.793 1.00 0.00 N ATOM 302 CA ILE A 18 7.075 4.171 5.928 1.00 0.00 C ATOM 303 C ILE A 18 7.656 5.499 6.443 1.00 0.00 C ATOM 304 O ILE A 18 6.920 6.433 6.727 1.00 0.00 O ATOM 305 CB ILE A 18 7.048 3.114 7.083 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.256 1.861 6.669 1.00 0.00 C ATOM 307 CG2 ILE A 18 6.451 3.716 8.364 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.543 0.640 7.511 1.00 0.00 C ATOM 0 H ILE A 18 8.237 2.773 4.892 1.00 0.00 H new ATOM 0 HA ILE A 18 6.047 4.312 5.595 1.00 0.00 H new ATOM 0 HB ILE A 18 8.078 2.820 7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.190 2.084 6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.480 1.631 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.443 2.962 9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.054 4.566 8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.431 4.047 8.169 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.944 -0.198 7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.601 0.388 7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.291 0.848 8.551 1.00 0.00 H new ATOM 320 N GLN A 19 8.989 5.568 6.496 1.00 0.00 N ATOM 321 CA GLN A 19 9.720 6.776 6.884 1.00 0.00 C ATOM 322 C GLN A 19 9.362 7.938 5.961 1.00 0.00 C ATOM 323 O GLN A 19 9.123 9.054 6.416 1.00 0.00 O ATOM 324 CB GLN A 19 11.221 6.539 6.792 1.00 0.00 C ATOM 325 CG GLN A 19 11.751 5.453 7.705 1.00 0.00 C ATOM 326 CD GLN A 19 13.238 5.179 7.500 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.722 5.357 6.292 1.00 0.00 O flip ATOM 328 NE2 GLN A 19 13.948 4.792 8.437 1.00 0.00 N flip ATOM 0 H GLN A 19 9.596 4.780 6.269 1.00 0.00 H new ATOM 0 HA GLN A 19 9.442 7.018 7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.471 6.283 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.736 7.471 7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.579 5.741 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.190 4.534 7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.543 4.663 9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.938 4.602 8.282 1.00 0.00 H new ATOM 337 N LEU A 20 9.316 7.660 4.668 1.00 0.00 N ATOM 338 CA LEU A 20 8.995 8.667 3.672 1.00 0.00 C ATOM 339 C LEU A 20 7.551 9.136 3.814 1.00 0.00 C ATOM 340 O LEU A 20 7.279 10.338 3.777 1.00 0.00 O ATOM 341 CB LEU A 20 9.278 8.168 2.251 1.00 0.00 C ATOM 342 CG LEU A 20 10.736 7.809 1.937 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.872 7.373 0.498 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.667 8.977 2.224 1.00 0.00 C ATOM 0 H LEU A 20 9.499 6.734 4.282 1.00 0.00 H new ATOM 0 HA LEU A 20 9.646 9.523 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.661 7.288 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.955 8.936 1.548 1.00 0.00 H new ATOM 0 HG LEU A 20 11.024 6.982 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.912 7.122 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.245 6.499 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.557 8.184 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.693 8.690 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.380 9.830 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.596 9.248 3.277 1.00 0.00 H new ATOM 356 N VAL A 21 6.630 8.194 3.966 1.00 0.00 N ATOM 357 CA VAL A 21 5.233 8.537 4.231 1.00 0.00 C ATOM 358 C VAL A 21 5.110 9.353 5.547 1.00 0.00 C ATOM 359 O VAL A 21 4.397 10.348 5.615 1.00 0.00 O ATOM 360 CB VAL A 21 4.367 7.258 4.317 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.907 7.583 4.529 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.537 6.446 3.065 1.00 0.00 C ATOM 0 H VAL A 21 6.819 7.193 3.912 1.00 0.00 H new ATOM 0 HA VAL A 21 4.871 9.150 3.405 1.00 0.00 H new ATOM 0 HB VAL A 21 4.705 6.681 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.333 6.658 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.789 8.139 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.544 8.187 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.926 5.546 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.225 7.036 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.584 6.166 2.952 1.00 0.00 H new ATOM 372 N ALA A 22 5.846 8.939 6.553 1.00 0.00 N ATOM 373 CA ALA A 22 5.861 9.582 7.859 1.00 0.00 C ATOM 374 C ALA A 22 6.341 11.031 7.777 1.00 0.00 C ATOM 375 O ALA A 22 5.665 11.947 8.269 1.00 0.00 O ATOM 376 CB ALA A 22 6.735 8.786 8.805 1.00 0.00 C ATOM 0 H ALA A 22 6.465 8.131 6.491 1.00 0.00 H new ATOM 0 HA ALA A 22 4.839 9.605 8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.746 9.268 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.339 7.775 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.750 8.741 8.411 1.00 0.00 H new ATOM 382 N ARG A 23 7.487 11.243 7.129 1.00 0.00 N ATOM 383 CA ARG A 23 8.074 12.580 6.984 1.00 0.00 C ATOM 384 C ARG A 23 7.203 13.493 6.131 1.00 0.00 C ATOM 385 O ARG A 23 7.373 14.703 6.156 1.00 0.00 O ATOM 386 CB ARG A 23 9.508 12.534 6.443 1.00 0.00 C ATOM 387 CG ARG A 23 9.635 11.909 5.078 1.00 0.00 C ATOM 388 CD ARG A 23 11.073 11.866 4.603 1.00 0.00 C ATOM 389 NE ARG A 23 11.620 13.204 4.362 1.00 0.00 N ATOM 390 CZ ARG A 23 12.925 13.515 4.311 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.855 12.619 4.653 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.292 14.745 3.951 1.00 0.00 N ATOM 0 H ARG A 23 8.033 10.500 6.692 1.00 0.00 H new ATOM 0 HA ARG A 23 8.119 13.002 7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.902 13.550 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.131 11.978 7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.232 10.897 5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.034 12.473 4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.684 11.355 5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.133 11.281 3.685 1.00 0.00 H new ATOM 0 HE ARG A 23 10.953 13.963 4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.577 11.686 4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.843 12.868 4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.584 15.441 3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.281 14.990 3.909 1.00 0.00 H new ATOM 406 N HIS A 24 6.303 12.906 5.342 1.00 0.00 N ATOM 407 CA HIS A 24 5.353 13.680 4.551 1.00 0.00 C ATOM 408 C HIS A 24 4.491 14.564 5.477 1.00 0.00 C ATOM 409 O HIS A 24 4.070 15.656 5.091 1.00 0.00 O ATOM 410 CB HIS A 24 4.478 12.741 3.664 1.00 0.00 C ATOM 411 CG HIS A 24 3.407 13.435 2.837 1.00 0.00 C ATOM 412 ND1 HIS A 24 3.505 13.711 1.490 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.204 13.884 3.209 1.00 0.00 C ATOM 414 CE1 HIS A 24 2.376 14.312 1.106 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.548 14.443 2.120 1.00 0.00 N ATOM 0 H HIS A 24 6.214 11.896 5.235 1.00 0.00 H new ATOM 0 HA HIS A 24 5.903 14.337 3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.134 12.191 2.989 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.996 12.006 4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.802 13.821 4.209 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.170 14.645 0.099 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.620 14.866 2.109 1.00 0.00 H new ATOM 423 N GLY A 25 4.257 14.102 6.697 1.00 0.00 N ATOM 424 CA GLY A 25 3.503 14.901 7.632 1.00 0.00 C ATOM 425 C GLY A 25 2.587 14.097 8.517 1.00 0.00 C ATOM 426 O GLY A 25 1.897 14.665 9.375 1.00 0.00 O ATOM 0 H GLY A 25 4.573 13.199 7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.197 15.463 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.911 15.630 7.078 1.00 0.00 H new ATOM 430 N LEU A 26 2.543 12.799 8.300 1.00 0.00 N ATOM 431 CA LEU A 26 1.730 11.901 9.081 1.00 0.00 C ATOM 432 C LEU A 26 2.086 11.856 10.552 1.00 0.00 C ATOM 433 O LEU A 26 3.257 11.960 10.944 1.00 0.00 O ATOM 434 CB LEU A 26 1.795 10.491 8.535 1.00 0.00 C ATOM 435 CG LEU A 26 0.913 10.165 7.348 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.325 10.872 6.073 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.815 8.675 7.172 1.00 0.00 C ATOM 0 H LEU A 26 3.079 12.336 7.566 1.00 0.00 H new ATOM 0 HA LEU A 26 0.721 12.306 8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.828 10.285 8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.541 9.804 9.343 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.081 10.554 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.649 10.591 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.280 11.951 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.343 10.584 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.179 8.451 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.810 8.262 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.386 8.230 8.070 1.00 0.00 H new ATOM 449 N ASP A 27 1.061 11.683 11.347 1.00 0.00 N ATOM 450 CA ASP A 27 1.191 11.483 12.789 1.00 0.00 C ATOM 451 C ASP A 27 1.555 10.040 13.042 1.00 0.00 C ATOM 452 O ASP A 27 1.349 9.201 12.165 1.00 0.00 O ATOM 453 CB ASP A 27 -0.139 11.812 13.502 1.00 0.00 C ATOM 454 CG ASP A 27 -0.183 11.375 14.953 1.00 0.00 C ATOM 455 OD1 ASP A 27 0.684 11.787 15.743 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.040 10.541 15.293 1.00 0.00 O ATOM 0 H ASP A 27 0.096 11.675 11.018 1.00 0.00 H new ATOM 0 HA ASP A 27 1.965 12.144 13.179 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.311 12.887 13.451 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.957 11.333 12.964 1.00 0.00 H new ATOM 461 N HIS A 28 2.065 9.754 14.229 1.00 0.00 N ATOM 462 CA HIS A 28 2.443 8.415 14.644 1.00 0.00 C ATOM 463 C HIS A 28 1.307 7.429 14.401 1.00 0.00 C ATOM 464 O HIS A 28 1.541 6.353 13.883 1.00 0.00 O ATOM 465 CB HIS A 28 2.847 8.390 16.130 1.00 0.00 C ATOM 466 CG HIS A 28 4.079 9.192 16.461 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.060 10.492 16.935 1.00 0.00 N ATOM 468 CD2 HIS A 28 5.384 8.845 16.396 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.324 10.880 17.131 1.00 0.00 C ATOM 470 NE2 HIS A 28 6.169 9.917 16.822 1.00 0.00 N ATOM 0 H HIS A 28 2.231 10.462 14.945 1.00 0.00 H new ATOM 0 HA HIS A 28 3.302 8.116 14.044 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.015 8.766 16.725 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.012 7.355 16.430 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.760 7.888 16.066 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.615 11.854 17.495 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.187 9.949 16.882 1.00 0.00 H new ATOM 478 N ASP A 29 0.058 7.846 14.679 1.00 0.00 N ATOM 479 CA ASP A 29 -1.095 6.945 14.514 1.00 0.00 C ATOM 480 C ASP A 29 -1.305 6.630 13.059 1.00 0.00 C ATOM 481 O ASP A 29 -1.551 5.489 12.681 1.00 0.00 O ATOM 482 CB ASP A 29 -2.361 7.560 15.096 1.00 0.00 C ATOM 483 CG ASP A 29 -3.604 6.741 14.845 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.792 5.720 15.530 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.433 7.133 13.999 1.00 0.00 O ATOM 0 H ASP A 29 -0.175 8.781 15.012 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.880 6.024 15.055 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.231 7.688 16.171 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.500 8.554 14.671 1.00 0.00 H new ATOM 490 N LYS A 30 -1.141 7.646 12.242 1.00 0.00 N ATOM 491 CA LYS A 30 -1.292 7.518 10.816 1.00 0.00 C ATOM 492 C LYS A 30 -0.223 6.601 10.247 1.00 0.00 C ATOM 493 O LYS A 30 -0.525 5.724 9.454 1.00 0.00 O ATOM 494 CB LYS A 30 -1.253 8.885 10.147 1.00 0.00 C ATOM 495 CG LYS A 30 -2.387 9.850 10.494 1.00 0.00 C ATOM 496 CD LYS A 30 -3.751 9.449 9.935 1.00 0.00 C ATOM 497 CE LYS A 30 -4.502 8.436 10.794 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.777 8.946 12.148 1.00 0.00 N ATOM 0 H LYS A 30 -0.898 8.587 12.552 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.265 7.071 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.308 9.363 10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.251 8.736 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.461 9.929 11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.132 10.841 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.365 10.343 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.615 9.033 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.443 8.177 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.917 7.519 10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.244 8.387 12.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.487 9.943 12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.795 8.869 12.348 1.00 0.00 H new ATOM 512 N VAL A 31 1.013 6.776 10.710 1.00 0.00 N ATOM 513 CA VAL A 31 2.132 5.973 10.289 1.00 0.00 C ATOM 514 C VAL A 31 1.895 4.516 10.676 1.00 0.00 C ATOM 515 O VAL A 31 2.095 3.609 9.864 1.00 0.00 O ATOM 516 CB VAL A 31 3.448 6.501 10.934 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.647 5.658 10.548 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.680 7.943 10.533 1.00 0.00 C ATOM 0 H VAL A 31 1.256 7.491 11.396 1.00 0.00 H new ATOM 0 HA VAL A 31 2.231 6.039 9.205 1.00 0.00 H new ATOM 0 HB VAL A 31 3.333 6.435 12.016 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.543 6.062 11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.493 4.632 10.881 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.769 5.673 9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.602 8.303 10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.761 8.010 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.844 8.554 10.873 1.00 0.00 H new ATOM 528 N LEU A 32 1.421 4.308 11.895 1.00 0.00 N ATOM 529 CA LEU A 32 1.139 2.976 12.387 1.00 0.00 C ATOM 530 C LEU A 32 0.043 2.315 11.577 1.00 0.00 C ATOM 531 O LEU A 32 0.261 1.253 11.017 1.00 0.00 O ATOM 532 CB LEU A 32 0.794 2.990 13.880 1.00 0.00 C ATOM 533 CG LEU A 32 1.878 3.562 14.805 1.00 0.00 C ATOM 534 CD1 LEU A 32 1.489 3.437 16.257 1.00 0.00 C ATOM 535 CD2 LEU A 32 3.227 2.919 14.546 1.00 0.00 C ATOM 0 H LEU A 32 1.224 5.053 12.563 1.00 0.00 H new ATOM 0 HA LEU A 32 2.046 2.383 12.267 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.119 3.569 14.018 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.575 1.969 14.194 1.00 0.00 H new ATOM 0 HG LEU A 32 1.968 4.624 14.576 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.279 3.852 16.882 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.562 3.983 16.434 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.344 2.386 16.506 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.970 3.348 15.219 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.158 1.845 14.720 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.525 3.101 13.513 1.00 0.00 H new ATOM 547 N LEU A 33 -1.098 2.991 11.434 1.00 0.00 N ATOM 548 CA LEU A 33 -2.246 2.443 10.690 1.00 0.00 C ATOM 549 C LEU A 33 -1.867 2.119 9.269 1.00 0.00 C ATOM 550 O LEU A 33 -2.239 1.056 8.741 1.00 0.00 O ATOM 551 CB LEU A 33 -3.403 3.432 10.684 1.00 0.00 C ATOM 552 CG LEU A 33 -4.103 3.647 12.012 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.080 4.787 11.900 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.830 2.385 12.432 1.00 0.00 C ATOM 0 H LEU A 33 -1.257 3.921 11.822 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.554 1.526 11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.030 4.394 10.333 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.141 3.092 9.958 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.355 3.890 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.578 4.935 12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.547 5.697 11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.823 4.556 11.137 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.328 2.553 13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.571 2.124 11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.114 1.570 12.535 1.00 0.00 H new ATOM 566 N PHE A 34 -1.114 3.017 8.672 1.00 0.00 N ATOM 567 CA PHE A 34 -0.619 2.850 7.335 1.00 0.00 C ATOM 568 C PHE A 34 0.249 1.601 7.225 1.00 0.00 C ATOM 569 O PHE A 34 0.004 0.749 6.384 1.00 0.00 O ATOM 570 CB PHE A 34 0.172 4.096 6.917 1.00 0.00 C ATOM 571 CG PHE A 34 0.916 3.948 5.636 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.263 4.036 4.423 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.280 3.708 5.650 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.955 3.884 3.251 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.971 3.556 4.483 1.00 0.00 C ATOM 576 CZ PHE A 34 2.312 3.643 3.286 1.00 0.00 C ATOM 0 H PHE A 34 -0.828 3.892 9.112 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.467 2.724 6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.516 4.936 6.829 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.879 4.345 7.708 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.800 4.226 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.802 3.641 6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.440 3.953 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.034 3.368 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.859 3.522 2.363 1.00 0.00 H new ATOM 586 N SER A 35 1.220 1.479 8.111 1.00 0.00 N ATOM 587 CA SER A 35 2.165 0.388 8.054 1.00 0.00 C ATOM 588 C SER A 35 1.496 -0.960 8.342 1.00 0.00 C ATOM 589 O SER A 35 1.885 -1.971 7.787 1.00 0.00 O ATOM 590 CB SER A 35 3.321 0.638 9.009 1.00 0.00 C ATOM 591 OG SER A 35 3.865 1.927 8.811 1.00 0.00 O ATOM 0 H SER A 35 1.372 2.129 8.882 1.00 0.00 H new ATOM 0 HA SER A 35 2.557 0.341 7.038 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.977 0.538 10.038 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.094 -0.115 8.857 1.00 0.00 H new ATOM 0 HG SER A 35 3.312 2.590 9.275 1.00 0.00 H new ATOM 597 N ARG A 36 0.469 -0.952 9.181 1.00 0.00 N ATOM 598 CA ARG A 36 -0.274 -2.171 9.516 1.00 0.00 C ATOM 599 C ARG A 36 -1.057 -2.648 8.305 1.00 0.00 C ATOM 600 O ARG A 36 -1.107 -3.836 8.012 1.00 0.00 O ATOM 601 CB ARG A 36 -1.215 -1.908 10.695 1.00 0.00 C ATOM 602 CG ARG A 36 -0.471 -1.448 11.918 1.00 0.00 C ATOM 603 CD ARG A 36 -1.381 -0.946 13.034 1.00 0.00 C ATOM 604 NE ARG A 36 -2.157 -1.998 13.692 1.00 0.00 N ATOM 605 CZ ARG A 36 -1.984 -2.357 14.975 1.00 0.00 C ATOM 606 NH1 ARG A 36 -0.933 -1.894 15.661 1.00 0.00 N ATOM 607 NH2 ARG A 36 -2.832 -3.194 15.557 1.00 0.00 N ATOM 0 H ARG A 36 0.126 -0.112 9.647 1.00 0.00 H new ATOM 0 HA ARG A 36 0.431 -2.950 9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.949 -1.153 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.768 -2.818 10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.133 -2.272 12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.217 -0.651 11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.773 -0.436 13.782 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.068 -0.206 12.623 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.868 -2.485 13.147 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.265 -1.269 15.210 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.800 -2.166 16.635 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.621 -3.569 15.030 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.695 -3.463 16.531 1.00 0.00 H new ATOM 621 N ASP A 37 -1.633 -1.707 7.586 1.00 0.00 N ATOM 622 CA ASP A 37 -2.402 -2.022 6.385 1.00 0.00 C ATOM 623 C ASP A 37 -1.436 -2.467 5.287 1.00 0.00 C ATOM 624 O ASP A 37 -1.652 -3.480 4.616 1.00 0.00 O ATOM 625 CB ASP A 37 -3.192 -0.787 5.936 1.00 0.00 C ATOM 626 CG ASP A 37 -4.231 -1.084 4.849 1.00 0.00 C ATOM 627 OD1 ASP A 37 -3.872 -1.300 3.682 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.456 -1.126 5.166 1.00 0.00 O ATOM 0 H ASP A 37 -1.587 -0.712 7.808 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.109 -2.825 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.696 -0.355 6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.495 -0.036 5.565 1.00 0.00 H new ATOM 633 N LEU A 38 -0.349 -1.717 5.165 1.00 0.00 N ATOM 634 CA LEU A 38 0.741 -1.975 4.226 1.00 0.00 C ATOM 635 C LEU A 38 1.347 -3.360 4.430 1.00 0.00 C ATOM 636 O LEU A 38 1.511 -4.112 3.472 1.00 0.00 O ATOM 637 CB LEU A 38 1.811 -0.884 4.404 1.00 0.00 C ATOM 638 CG LEU A 38 3.184 -1.087 3.748 1.00 0.00 C ATOM 639 CD1 LEU A 38 3.079 -1.255 2.250 1.00 0.00 C ATOM 640 CD2 LEU A 38 4.084 0.083 4.084 1.00 0.00 C ATOM 0 H LEU A 38 -0.194 -0.885 5.734 1.00 0.00 H new ATOM 0 HA LEU A 38 0.346 -1.950 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.398 0.050 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.972 -0.750 5.474 1.00 0.00 H new ATOM 0 HG LEU A 38 3.612 -2.008 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.075 -1.396 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.463 -2.125 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.624 -0.365 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.059 -0.062 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.637 1.005 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.205 0.150 5.165 1.00 0.00 H new ATOM 652 N ASP A 39 1.668 -3.689 5.672 1.00 0.00 N ATOM 653 CA ASP A 39 2.273 -4.979 6.012 1.00 0.00 C ATOM 654 C ASP A 39 1.360 -6.108 5.578 1.00 0.00 C ATOM 655 O ASP A 39 1.778 -7.031 4.878 1.00 0.00 O ATOM 656 CB ASP A 39 2.540 -5.067 7.520 1.00 0.00 C ATOM 657 CG ASP A 39 3.331 -6.295 7.909 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.575 -6.269 7.770 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.743 -7.287 8.394 1.00 0.00 O ATOM 0 H ASP A 39 1.519 -3.076 6.474 1.00 0.00 H new ATOM 0 HA ASP A 39 3.224 -5.067 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.081 -4.177 7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.589 -5.071 8.052 1.00 0.00 H new ATOM 664 N LYS A 40 0.086 -5.976 5.925 1.00 0.00 N ATOM 665 CA LYS A 40 -0.921 -6.960 5.569 1.00 0.00 C ATOM 666 C LYS A 40 -1.130 -7.047 4.073 1.00 0.00 C ATOM 667 O LYS A 40 -1.404 -8.116 3.555 1.00 0.00 O ATOM 668 CB LYS A 40 -2.233 -6.666 6.260 1.00 0.00 C ATOM 669 CG LYS A 40 -2.156 -6.812 7.754 1.00 0.00 C ATOM 670 CD LYS A 40 -3.465 -6.468 8.411 1.00 0.00 C ATOM 671 CE LYS A 40 -3.381 -6.668 9.907 1.00 0.00 C ATOM 672 NZ LYS A 40 -3.086 -8.075 10.260 1.00 0.00 N ATOM 0 H LYS A 40 -0.275 -5.186 6.459 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.550 -7.927 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.547 -5.651 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.999 -7.338 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.879 -7.836 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.371 -6.164 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.727 -5.433 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.259 -7.091 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.606 -6.021 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.323 -6.368 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.348 -8.246 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.632 -8.710 9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.070 -8.259 10.134 1.00 0.00 H new ATOM 686 N LEU A 41 -1.003 -5.923 3.386 1.00 0.00 N ATOM 687 CA LEU A 41 -1.125 -5.886 1.930 1.00 0.00 C ATOM 688 C LEU A 41 -0.025 -6.723 1.309 1.00 0.00 C ATOM 689 O LEU A 41 -0.257 -7.489 0.368 1.00 0.00 O ATOM 690 CB LEU A 41 -1.053 -4.440 1.420 1.00 0.00 C ATOM 691 CG LEU A 41 -1.041 -4.242 -0.097 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.271 -4.846 -0.749 1.00 0.00 C ATOM 693 CD2 LEU A 41 -0.942 -2.771 -0.424 1.00 0.00 C ATOM 0 H LEU A 41 -0.814 -5.016 3.813 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.093 -6.298 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.904 -3.894 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.154 -3.980 1.830 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.169 -4.759 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.227 -4.686 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.304 -5.916 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.166 -4.371 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.934 -2.639 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.798 -2.246 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.022 -2.366 -0.002 1.00 0.00 H new ATOM 705 N ILE A 42 1.151 -6.604 1.865 1.00 0.00 N ATOM 706 CA ILE A 42 2.282 -7.365 1.414 1.00 0.00 C ATOM 707 C ILE A 42 2.042 -8.843 1.697 1.00 0.00 C ATOM 708 O ILE A 42 2.025 -9.645 0.775 1.00 0.00 O ATOM 709 CB ILE A 42 3.602 -6.863 2.067 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.840 -5.400 1.686 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.783 -7.715 1.628 1.00 0.00 C ATOM 712 CD1 ILE A 42 5.072 -4.783 2.300 1.00 0.00 C ATOM 0 H ILE A 42 1.351 -5.976 2.644 1.00 0.00 H new ATOM 0 HA ILE A 42 2.395 -7.228 0.339 1.00 0.00 H new ATOM 0 HB ILE A 42 3.507 -6.946 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.916 -5.329 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.970 -4.815 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.694 -7.344 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.616 -8.750 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.887 -7.663 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.160 -3.746 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.993 -4.817 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.954 -5.339 1.983 1.00 0.00 H new ATOM 724 N ASN A 43 1.760 -9.170 2.958 1.00 0.00 N ATOM 725 CA ASN A 43 1.488 -10.562 3.417 1.00 0.00 C ATOM 726 C ASN A 43 0.379 -11.210 2.593 1.00 0.00 C ATOM 727 O ASN A 43 0.388 -12.418 2.359 1.00 0.00 O ATOM 728 CB ASN A 43 1.065 -10.601 4.902 1.00 0.00 C ATOM 729 CG ASN A 43 2.065 -9.974 5.855 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.263 -9.990 5.614 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.577 -9.426 6.952 1.00 0.00 N ATOM 0 H ASN A 43 1.710 -8.481 3.708 1.00 0.00 H new ATOM 0 HA ASN A 43 2.420 -11.113 3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.109 -10.088 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.904 -11.639 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.206 -8.998 7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.571 -9.431 7.121 1.00 0.00 H new ATOM 738 N LYS A 44 -0.571 -10.393 2.170 1.00 0.00 N ATOM 739 CA LYS A 44 -1.693 -10.801 1.332 1.00 0.00 C ATOM 740 C LYS A 44 -1.197 -11.312 -0.021 1.00 0.00 C ATOM 741 O LYS A 44 -1.594 -12.382 -0.477 1.00 0.00 O ATOM 742 CB LYS A 44 -2.623 -9.593 1.125 1.00 0.00 C ATOM 743 CG LYS A 44 -3.836 -9.832 0.236 1.00 0.00 C ATOM 744 CD LYS A 44 -4.561 -8.531 -0.066 1.00 0.00 C ATOM 745 CE LYS A 44 -5.180 -7.906 1.178 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.291 -8.713 1.733 1.00 0.00 N ATOM 0 H LYS A 44 -0.586 -9.400 2.405 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.234 -11.609 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.973 -9.257 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.039 -8.778 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.520 -10.300 -0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.518 -10.526 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.862 -7.825 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.343 -8.717 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.410 -7.784 1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.548 -6.909 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.740 -8.194 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.994 -8.895 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.920 -9.618 2.087 1.00 0.00 H new ATOM 760 N PHE A 45 -0.322 -10.554 -0.639 1.00 0.00 N ATOM 761 CA PHE A 45 0.204 -10.906 -1.942 1.00 0.00 C ATOM 762 C PHE A 45 1.321 -11.915 -1.874 1.00 0.00 C ATOM 763 O PHE A 45 1.515 -12.689 -2.807 1.00 0.00 O ATOM 764 CB PHE A 45 0.604 -9.675 -2.741 1.00 0.00 C ATOM 765 CG PHE A 45 -0.566 -8.997 -3.375 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.324 -8.073 -2.679 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.920 -9.305 -4.673 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.409 -7.464 -3.273 1.00 0.00 C ATOM 769 CE2 PHE A 45 -1.999 -8.704 -5.268 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.745 -7.782 -4.568 1.00 0.00 C ATOM 0 H PHE A 45 0.045 -9.682 -0.258 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.612 -11.393 -2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.116 -8.971 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.315 -9.964 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.064 -7.826 -1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.340 -10.028 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.993 -6.740 -2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.264 -8.953 -6.285 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.595 -7.308 -5.037 1.00 0.00 H new ATOM 780 N MET A 46 2.048 -11.924 -0.773 1.00 0.00 N ATOM 781 CA MET A 46 3.100 -12.913 -0.591 1.00 0.00 C ATOM 782 C MET A 46 2.432 -14.259 -0.326 1.00 0.00 C ATOM 783 O MET A 46 2.941 -15.319 -0.694 1.00 0.00 O ATOM 784 CB MET A 46 4.002 -12.580 0.616 1.00 0.00 C ATOM 785 CG MET A 46 4.547 -11.166 0.639 1.00 0.00 C ATOM 786 SD MET A 46 5.926 -10.952 1.770 1.00 0.00 S ATOM 787 CE MET A 46 7.196 -11.780 0.842 1.00 0.00 C ATOM 0 H MET A 46 1.935 -11.269 0.000 1.00 0.00 H new ATOM 0 HA MET A 46 3.721 -12.927 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.435 -12.750 1.531 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.840 -13.276 0.627 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.865 -10.891 -0.367 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.747 -10.481 0.919 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.165 -11.595 1.306 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.998 -12.852 0.830 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.205 -11.402 -0.180 1.00 0.00 H new ATOM 797 N ASN A 47 1.258 -14.159 0.299 1.00 0.00 N ATOM 798 CA ASN A 47 0.428 -15.273 0.730 1.00 0.00 C ATOM 799 C ASN A 47 1.163 -16.093 1.763 1.00 0.00 C ATOM 800 O ASN A 47 1.745 -17.136 1.469 1.00 0.00 O ATOM 801 CB ASN A 47 -0.102 -16.141 -0.432 1.00 0.00 C ATOM 802 CG ASN A 47 -1.104 -17.220 0.014 1.00 0.00 C ATOM 803 OD1 ASN A 47 -1.876 -16.949 1.049 1.00 0.00 O flip ATOM 804 ND2 ASN A 47 -1.189 -18.294 -0.590 1.00 0.00 N flip ATOM 0 H ASN A 47 0.845 -13.255 0.527 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.466 -14.848 1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.580 -15.495 -1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.740 -16.622 -0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.581 -18.480 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.867 -18.995 -0.291 1.00 0.00 H new ATOM 811 N VAL A 48 1.186 -15.580 2.967 1.00 0.00 N ATOM 812 CA VAL A 48 1.915 -16.215 4.034 1.00 0.00 C ATOM 813 C VAL A 48 0.992 -17.005 4.898 1.00 0.00 C ATOM 814 O VAL A 48 0.213 -16.464 5.686 1.00 0.00 O ATOM 815 CB VAL A 48 2.713 -15.219 4.902 1.00 0.00 C ATOM 816 CG1 VAL A 48 3.597 -15.954 5.912 1.00 0.00 C ATOM 817 CG2 VAL A 48 3.537 -14.274 4.045 1.00 0.00 C ATOM 0 H VAL A 48 0.706 -14.720 3.233 1.00 0.00 H new ATOM 0 HA VAL A 48 2.638 -16.877 3.557 1.00 0.00 H new ATOM 0 HB VAL A 48 1.993 -14.619 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.148 -15.228 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.973 -16.564 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.301 -16.595 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.087 -13.586 4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.241 -14.849 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.876 -13.708 3.389 1.00 0.00 H new ATOM 827 N LYS A 49 1.052 -18.267 4.697 1.00 0.00 N ATOM 828 CA LYS A 49 0.321 -19.232 5.464 1.00 0.00 C ATOM 829 C LYS A 49 1.271 -20.339 5.840 1.00 0.00 C ATOM 830 O LYS A 49 0.867 -21.460 6.144 1.00 0.00 O ATOM 831 CB LYS A 49 -0.853 -19.797 4.663 1.00 0.00 C ATOM 832 CG LYS A 49 -1.952 -18.792 4.342 1.00 0.00 C ATOM 833 CD LYS A 49 -3.134 -19.445 3.630 1.00 0.00 C ATOM 834 CE LYS A 49 -3.849 -20.481 4.505 1.00 0.00 C ATOM 835 NZ LYS A 49 -4.436 -19.895 5.736 1.00 0.00 N ATOM 0 H LYS A 49 1.631 -18.684 3.968 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.090 -18.757 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.472 -20.208 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.290 -20.625 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.297 -18.325 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.545 -17.998 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.845 -18.674 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.783 -19.926 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.639 -20.957 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.143 -21.263 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.019 -20.610 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.673 -19.586 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.028 -19.078 5.483 1.00 0.00 H new ATOM 849 N ASP A 50 2.542 -19.992 5.836 1.00 0.00 N ATOM 850 CA ASP A 50 3.616 -20.919 6.143 1.00 0.00 C ATOM 851 C ASP A 50 3.638 -21.144 7.664 1.00 0.00 C ATOM 852 O ASP A 50 2.898 -20.501 8.394 1.00 0.00 O ATOM 853 CB ASP A 50 4.957 -20.321 5.641 1.00 0.00 C ATOM 854 CG ASP A 50 6.114 -21.306 5.624 1.00 0.00 C ATOM 855 OD1 ASP A 50 6.673 -21.601 6.673 1.00 0.00 O ATOM 856 OD2 ASP A 50 6.492 -21.791 4.531 1.00 0.00 O ATOM 0 H ASP A 50 2.863 -19.049 5.617 1.00 0.00 H new ATOM 0 HA ASP A 50 3.465 -21.878 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.813 -19.931 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.224 -19.476 6.275 1.00 0.00 H new ATOM 861 N LYS A 51 4.506 -21.986 8.136 1.00 0.00 N ATOM 862 CA LYS A 51 4.569 -22.358 9.540 1.00 0.00 C ATOM 863 C LYS A 51 5.617 -21.527 10.284 1.00 0.00 C ATOM 864 O LYS A 51 6.133 -21.928 11.330 1.00 0.00 O ATOM 865 CB LYS A 51 4.865 -23.852 9.663 1.00 0.00 C ATOM 866 CG LYS A 51 6.131 -24.306 8.946 1.00 0.00 C ATOM 867 CD LYS A 51 6.297 -25.810 9.024 1.00 0.00 C ATOM 868 CE LYS A 51 6.568 -26.287 10.441 1.00 0.00 C ATOM 869 NZ LYS A 51 6.555 -27.756 10.521 1.00 0.00 N ATOM 0 H LYS A 51 5.207 -22.448 7.557 1.00 0.00 H new ATOM 0 HA LYS A 51 3.603 -22.151 10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.949 -24.107 10.719 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.018 -24.411 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.092 -23.996 7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.998 -23.818 9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.396 -26.293 8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.118 -26.117 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.535 -25.911 10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.816 -25.877 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.743 -28.052 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.624 -28.112 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.289 -28.144 9.895 1.00 0.00 H new ATOM 883 N VAL A 52 5.870 -20.342 9.767 1.00 0.00 N ATOM 884 CA VAL A 52 6.848 -19.422 10.333 1.00 0.00 C ATOM 885 C VAL A 52 6.384 -18.814 11.664 1.00 0.00 C ATOM 886 O VAL A 52 7.185 -18.209 12.389 1.00 0.00 O ATOM 887 CB VAL A 52 7.231 -18.284 9.340 1.00 0.00 C ATOM 888 CG1 VAL A 52 7.929 -18.851 8.116 1.00 0.00 C ATOM 889 CG2 VAL A 52 6.003 -17.479 8.921 1.00 0.00 C ATOM 0 H VAL A 52 5.401 -19.983 8.935 1.00 0.00 H new ATOM 0 HA VAL A 52 7.735 -20.025 10.526 1.00 0.00 H new ATOM 0 HB VAL A 52 7.918 -17.613 9.856 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.188 -18.039 7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.837 -19.370 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.264 -19.551 7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.302 -16.693 8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.285 -18.138 8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.544 -17.031 9.802 1.00 0.00 H new ATOM 899 N HIS A 53 5.120 -18.968 11.992 1.00 0.00 N ATOM 900 CA HIS A 53 4.602 -18.450 13.234 1.00 0.00 C ATOM 901 C HIS A 53 4.053 -19.591 14.089 1.00 0.00 C ATOM 902 O HIS A 53 2.886 -19.971 13.990 1.00 0.00 O ATOM 903 CB HIS A 53 3.543 -17.341 12.993 1.00 0.00 C ATOM 904 CG HIS A 53 3.015 -16.687 14.249 1.00 0.00 C ATOM 905 ND1 HIS A 53 3.594 -15.587 14.847 1.00 0.00 N ATOM 906 CD2 HIS A 53 1.944 -17.002 15.018 1.00 0.00 C ATOM 907 CE1 HIS A 53 2.887 -15.277 15.929 1.00 0.00 C ATOM 908 NE2 HIS A 53 1.865 -16.105 16.084 1.00 0.00 N ATOM 0 H HIS A 53 4.432 -19.449 11.413 1.00 0.00 H new ATOM 0 HA HIS A 53 5.419 -17.981 13.781 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.981 -16.572 12.356 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.705 -17.771 12.444 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.260 -17.818 14.835 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.116 -14.458 16.594 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.166 -16.090 16.827 1.00 0.00 H new ATOM 916 N LYS A 54 4.909 -20.169 14.867 1.00 0.00 N ATOM 917 CA LYS A 54 4.552 -21.231 15.769 1.00 0.00 C ATOM 918 C LYS A 54 5.100 -20.800 17.116 1.00 0.00 C ATOM 919 O LYS A 54 6.210 -21.191 17.502 1.00 0.00 O ATOM 920 CB LYS A 54 5.186 -22.559 15.279 1.00 0.00 C ATOM 921 CG LYS A 54 4.547 -23.859 15.789 1.00 0.00 C ATOM 922 CD LYS A 54 4.661 -24.050 17.291 1.00 0.00 C ATOM 923 CE LYS A 54 4.105 -25.397 17.720 1.00 0.00 C ATOM 924 NZ LYS A 54 2.685 -25.574 17.353 1.00 0.00 N ATOM 0 H LYS A 54 5.897 -19.916 14.899 1.00 0.00 H new ATOM 0 HA LYS A 54 3.478 -21.406 15.827 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.154 -22.569 14.190 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.237 -22.561 15.567 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.493 -23.869 15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.017 -24.705 15.288 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.706 -23.973 17.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.123 -23.252 17.803 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.695 -26.191 17.262 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.212 -25.502 18.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.316 -26.438 17.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.137 -24.754 17.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.601 -25.655 16.320 1.00 0.00 H new ATOM 938 N LEU A 55 4.343 -19.910 17.778 1.00 0.00 N ATOM 939 CA LEU A 55 4.765 -19.219 18.988 1.00 0.00 C ATOM 940 C LEU A 55 6.093 -18.501 18.757 1.00 0.00 C ATOM 941 O LEU A 55 6.501 -18.285 17.606 1.00 0.00 O ATOM 942 CB LEU A 55 4.832 -20.190 20.155 1.00 0.00 C ATOM 943 CG LEU A 55 3.489 -20.667 20.711 1.00 0.00 C ATOM 944 CD1 LEU A 55 3.704 -21.661 21.822 1.00 0.00 C ATOM 945 CD2 LEU A 55 2.654 -19.494 21.213 1.00 0.00 C ATOM 0 H LEU A 55 3.404 -19.652 17.474 1.00 0.00 H new ATOM 0 HA LEU A 55 4.027 -18.458 19.242 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.404 -21.064 19.842 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.390 -19.717 20.963 1.00 0.00 H new ATOM 0 HG LEU A 55 2.944 -21.152 19.901 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.739 -21.991 22.207 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.255 -22.520 21.440 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.274 -21.192 22.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.705 -19.863 21.602 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.194 -18.975 22.005 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.465 -18.804 20.391 1.00 0.00 H new ATOM 957 N GLU A 56 6.732 -18.075 19.798 1.00 0.00 N ATOM 958 CA GLU A 56 8.019 -17.483 19.648 1.00 0.00 C ATOM 959 C GLU A 56 8.969 -18.079 20.664 1.00 0.00 C ATOM 960 O GLU A 56 9.149 -17.570 21.772 1.00 0.00 O ATOM 961 CB GLU A 56 7.970 -15.940 19.668 1.00 0.00 C ATOM 962 CG GLU A 56 9.302 -15.270 19.346 1.00 0.00 C ATOM 963 CD GLU A 56 9.184 -13.774 19.170 1.00 0.00 C ATOM 964 OE1 GLU A 56 9.261 -13.026 20.168 1.00 0.00 O ATOM 965 OE2 GLU A 56 9.042 -13.307 18.022 1.00 0.00 O ATOM 0 H GLU A 56 6.385 -18.126 20.756 1.00 0.00 H new ATOM 0 HA GLU A 56 8.405 -17.721 18.657 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.223 -15.602 18.950 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.639 -15.610 20.653 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.011 -15.481 20.146 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.711 -15.706 18.435 1.00 0.00 H new ATOM 972 N HIS A 57 9.463 -19.231 20.310 1.00 0.00 N ATOM 973 CA HIS A 57 10.418 -19.972 21.092 1.00 0.00 C ATOM 974 C HIS A 57 11.702 -20.042 20.307 1.00 0.00 C ATOM 975 O HIS A 57 11.757 -19.520 19.164 1.00 0.00 O ATOM 976 CB HIS A 57 9.918 -21.403 21.380 1.00 0.00 C ATOM 977 CG HIS A 57 8.726 -21.501 22.284 1.00 0.00 C ATOM 978 ND1 HIS A 57 7.706 -22.409 22.117 1.00 0.00 N ATOM 979 CD2 HIS A 57 8.447 -20.840 23.425 1.00 0.00 C ATOM 980 CE1 HIS A 57 6.863 -22.279 23.139 1.00 0.00 C ATOM 981 NE2 HIS A 57 7.269 -21.334 23.970 1.00 0.00 N ATOM 0 H HIS A 57 9.205 -19.698 19.441 1.00 0.00 H new ATOM 0 HA HIS A 57 10.565 -19.471 22.049 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.673 -21.881 20.432 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.735 -21.972 21.822 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.047 -20.049 23.850 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.967 -22.867 23.272 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.813 -21.031 24.831 1.00 0.00 H new ATOM 989 N HIS A 58 12.728 -20.667 20.898 1.00 0.00 N ATOM 990 CA HIS A 58 14.062 -20.848 20.292 1.00 0.00 C ATOM 991 C HIS A 58 14.821 -19.515 20.232 1.00 0.00 C ATOM 992 O HIS A 58 15.879 -19.371 20.831 1.00 0.00 O ATOM 993 CB HIS A 58 13.951 -21.537 18.894 1.00 0.00 C ATOM 994 CG HIS A 58 15.249 -21.794 18.161 1.00 0.00 C ATOM 995 ND1 HIS A 58 15.803 -23.041 17.996 1.00 0.00 N ATOM 996 CD2 HIS A 58 16.053 -20.941 17.479 1.00 0.00 C ATOM 997 CE1 HIS A 58 16.889 -22.914 17.238 1.00 0.00 C ATOM 998 NE2 HIS A 58 17.088 -21.653 16.894 1.00 0.00 N ATOM 0 H HIS A 58 12.657 -21.072 21.832 1.00 0.00 H new ATOM 0 HA HIS A 58 14.645 -21.515 20.927 1.00 0.00 H new ATOM 0 HB2 HIS A 58 13.438 -22.490 19.024 1.00 0.00 H new ATOM 0 HB3 HIS A 58 13.318 -20.918 18.258 1.00 0.00 H new ATOM 0 HD2 HIS A 58 15.909 -19.873 17.404 1.00 0.00 H new ATOM 0 HE1 HIS A 58 17.526 -23.735 16.942 1.00 0.00 H new ATOM 0 HE2 HIS A 58 17.844 -21.282 16.319 1.00 0.00 H new ATOM 1006 N HIS A 59 14.239 -18.557 19.567 1.00 0.00 N ATOM 1007 CA HIS A 59 14.834 -17.260 19.372 1.00 0.00 C ATOM 1008 C HIS A 59 14.448 -16.364 20.536 1.00 0.00 C ATOM 1009 O HIS A 59 13.257 -16.126 20.779 1.00 0.00 O ATOM 1010 CB HIS A 59 14.332 -16.628 18.050 1.00 0.00 C ATOM 1011 CG HIS A 59 14.522 -17.487 16.819 1.00 0.00 C ATOM 1012 ND1 HIS A 59 15.542 -17.330 15.907 1.00 0.00 N ATOM 1013 CD2 HIS A 59 13.771 -18.523 16.358 1.00 0.00 C ATOM 1014 CE1 HIS A 59 15.387 -18.247 14.945 1.00 0.00 C ATOM 1015 NE2 HIS A 59 14.320 -19.002 15.173 1.00 0.00 N ATOM 0 H HIS A 59 13.320 -18.655 19.136 1.00 0.00 H new ATOM 0 HA HIS A 59 15.918 -17.366 19.319 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.272 -16.398 18.154 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.850 -15.681 17.898 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.886 -18.913 16.838 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.044 -18.358 14.095 1.00 0.00 H new ATOM 0 HE2 HIS A 59 13.975 -19.772 14.600 1.00 0.00 H new ATOM 1023 N HIS A 60 15.420 -15.922 21.276 1.00 0.00 N ATOM 1024 CA HIS A 60 15.184 -15.025 22.378 1.00 0.00 C ATOM 1025 C HIS A 60 16.084 -13.809 22.248 1.00 0.00 C ATOM 1026 O HIS A 60 17.292 -13.942 22.022 1.00 0.00 O ATOM 1027 CB HIS A 60 15.378 -15.742 23.732 1.00 0.00 C ATOM 1028 CG HIS A 60 15.206 -14.856 24.940 1.00 0.00 C ATOM 1029 ND1 HIS A 60 13.990 -14.433 25.431 1.00 0.00 N ATOM 1030 CD2 HIS A 60 16.141 -14.296 25.733 1.00 0.00 C ATOM 1031 CE1 HIS A 60 14.219 -13.643 26.482 1.00 0.00 C ATOM 1032 NE2 HIS A 60 15.519 -13.526 26.710 1.00 0.00 N ATOM 0 H HIS A 60 16.400 -16.170 21.137 1.00 0.00 H new ATOM 0 HA HIS A 60 14.148 -14.689 22.347 1.00 0.00 H new ATOM 0 HB2 HIS A 60 14.667 -16.566 23.797 1.00 0.00 H new ATOM 0 HB3 HIS A 60 16.376 -16.179 23.757 1.00 0.00 H new ATOM 0 HD2 HIS A 60 17.208 -14.425 25.626 1.00 0.00 H new ATOM 0 HE1 HIS A 60 13.449 -13.164 27.068 1.00 0.00 H new ATOM 0 HE2 HIS A 60 15.969 -12.984 27.448 1.00 0.00 H new ATOM 1040 N HIS A 61 15.484 -12.641 22.346 1.00 0.00 N ATOM 1041 CA HIS A 61 16.169 -11.364 22.218 1.00 0.00 C ATOM 1042 C HIS A 61 15.198 -10.258 22.567 1.00 0.00 C ATOM 1043 O HIS A 61 13.995 -10.493 22.612 1.00 0.00 O ATOM 1044 CB HIS A 61 16.721 -11.155 20.773 1.00 0.00 C ATOM 1045 CG HIS A 61 15.696 -11.276 19.659 1.00 0.00 C ATOM 1046 ND1 HIS A 61 15.242 -10.221 18.897 1.00 0.00 N ATOM 1047 CD2 HIS A 61 15.071 -12.376 19.170 1.00 0.00 C ATOM 1048 CE1 HIS A 61 14.382 -10.700 17.995 1.00 0.00 C ATOM 1049 NE2 HIS A 61 14.244 -12.008 18.117 1.00 0.00 N ATOM 0 H HIS A 61 14.484 -12.547 22.521 1.00 0.00 H new ATOM 0 HA HIS A 61 17.020 -11.350 22.899 1.00 0.00 H new ATOM 0 HB2 HIS A 61 17.179 -10.167 20.717 1.00 0.00 H new ATOM 0 HB3 HIS A 61 17.512 -11.883 20.596 1.00 0.00 H new ATOM 0 HD2 HIS A 61 15.197 -13.382 19.542 1.00 0.00 H new ATOM 0 HE1 HIS A 61 13.867 -10.097 17.262 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.653 -12.620 17.555 1.00 0.00 H new ATOM 1057 N HIS A 62 15.697 -9.087 22.845 1.00 0.00 N ATOM 1058 CA HIS A 62 14.844 -7.946 23.094 1.00 0.00 C ATOM 1059 C HIS A 62 15.364 -6.776 22.307 1.00 0.00 C ATOM 1060 O HIS A 62 14.985 -6.630 21.138 1.00 0.00 O ATOM 1061 CB HIS A 62 14.750 -7.579 24.593 1.00 0.00 C ATOM 1062 CG HIS A 62 14.117 -8.613 25.475 1.00 0.00 C ATOM 1063 ND1 HIS A 62 12.761 -8.720 25.695 1.00 0.00 N ATOM 1064 CD2 HIS A 62 14.690 -9.577 26.223 1.00 0.00 C ATOM 1065 CE1 HIS A 62 12.559 -9.724 26.551 1.00 0.00 C ATOM 1066 NE2 HIS A 62 13.707 -10.280 26.905 1.00 0.00 N ATOM 1067 OXT HIS A 62 16.183 -6.008 22.835 1.00 0.00 O ATOM 0 H HIS A 62 16.696 -8.891 22.907 1.00 0.00 H new ATOM 0 HA HIS A 62 13.834 -8.208 22.778 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.755 -7.378 24.963 1.00 0.00 H new ATOM 0 HB3 HIS A 62 14.184 -6.652 24.687 1.00 0.00 H new ATOM 0 HD2 HIS A 62 15.751 -9.772 26.282 1.00 0.00 H new ATOM 0 HE1 HIS A 62 11.590 -10.040 26.907 1.00 0.00 H new ATOM 0 HE2 HIS A 62 13.841 -11.062 27.546 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 10.908 22.988 0.488 1.00 0.00 N ATOM 1077 CA MET B 1 10.131 21.936 1.154 1.00 0.00 C ATOM 1078 C MET B 1 8.925 21.508 0.341 1.00 0.00 C ATOM 1079 O MET B 1 7.939 21.006 0.904 1.00 0.00 O ATOM 1080 CB MET B 1 9.686 22.370 2.545 1.00 0.00 C ATOM 1081 CG MET B 1 10.790 22.381 3.568 1.00 0.00 C ATOM 1082 SD MET B 1 11.587 20.759 3.728 1.00 0.00 S ATOM 1083 CE MET B 1 10.200 19.719 4.204 1.00 0.00 C ATOM 0 H1 MET B 1 11.803 22.590 0.138 1.00 0.00 H new ATOM 0 H2 MET B 1 10.363 23.369 -0.312 1.00 0.00 H new ATOM 0 H3 MET B 1 11.110 23.752 1.165 1.00 0.00 H new ATOM 0 HA MET B 1 10.797 21.078 1.246 1.00 0.00 H new ATOM 0 HB2 MET B 1 9.254 23.369 2.481 1.00 0.00 H new ATOM 0 HB3 MET B 1 8.895 21.702 2.887 1.00 0.00 H new ATOM 0 HG2 MET B 1 11.536 23.125 3.288 1.00 0.00 H new ATOM 0 HG3 MET B 1 10.386 22.683 4.534 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.572 18.771 4.592 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.616 20.222 4.975 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.570 19.533 3.334 1.00 0.00 H new ATOM 1095 N GLU B 2 9.003 21.681 -0.976 1.00 0.00 N ATOM 1096 CA GLU B 2 7.942 21.272 -1.875 1.00 0.00 C ATOM 1097 C GLU B 2 7.749 19.757 -1.739 1.00 0.00 C ATOM 1098 O GLU B 2 8.681 18.973 -1.995 1.00 0.00 O ATOM 1099 CB GLU B 2 8.267 21.612 -3.345 1.00 0.00 C ATOM 1100 CG GLU B 2 8.796 23.020 -3.620 1.00 0.00 C ATOM 1101 CD GLU B 2 10.253 23.164 -3.254 1.00 0.00 C ATOM 1102 OE1 GLU B 2 11.112 22.828 -4.062 1.00 0.00 O ATOM 1103 OE2 GLU B 2 10.563 23.584 -2.126 1.00 0.00 O ATOM 0 H GLU B 2 9.803 22.108 -1.443 1.00 0.00 H new ATOM 0 HA GLU B 2 7.034 21.812 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU B 2 9.004 20.894 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU B 2 7.363 21.466 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU B 2 8.663 23.256 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.208 23.744 -3.055 1.00 0.00 H new ATOM 1110 N MET B 3 6.564 19.354 -1.338 1.00 0.00 N ATOM 1111 CA MET B 3 6.290 17.953 -1.027 1.00 0.00 C ATOM 1112 C MET B 3 5.996 17.121 -2.261 1.00 0.00 C ATOM 1113 O MET B 3 5.824 15.904 -2.164 1.00 0.00 O ATOM 1114 CB MET B 3 5.153 17.817 -0.003 1.00 0.00 C ATOM 1115 CG MET B 3 3.792 18.309 -0.484 1.00 0.00 C ATOM 1116 SD MET B 3 2.518 18.184 0.787 1.00 0.00 S ATOM 1117 CE MET B 3 3.194 19.279 2.035 1.00 0.00 C ATOM 0 H MET B 3 5.764 19.975 -1.216 1.00 0.00 H new ATOM 0 HA MET B 3 7.205 17.558 -0.586 1.00 0.00 H new ATOM 0 HB2 MET B 3 5.064 16.769 0.282 1.00 0.00 H new ATOM 0 HB3 MET B 3 5.426 18.370 0.896 1.00 0.00 H new ATOM 0 HG2 MET B 3 3.878 19.347 -0.805 1.00 0.00 H new ATOM 0 HG3 MET B 3 3.488 17.730 -1.356 1.00 0.00 H new ATOM 0 HE1 MET B 3 2.391 19.637 2.679 1.00 0.00 H new ATOM 0 HE2 MET B 3 3.926 18.739 2.635 1.00 0.00 H new ATOM 0 HE3 MET B 3 3.677 20.128 1.551 1.00 0.00 H new ATOM 1127 N GLY B 4 5.961 17.759 -3.413 1.00 0.00 N ATOM 1128 CA GLY B 4 5.717 17.042 -4.641 1.00 0.00 C ATOM 1129 C GLY B 4 6.855 16.092 -4.939 1.00 0.00 C ATOM 1130 O GLY B 4 6.635 14.918 -5.280 1.00 0.00 O ATOM 0 H GLY B 4 6.097 18.764 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY B 4 4.783 16.486 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY B 4 5.601 17.748 -5.463 1.00 0.00 H new ATOM 1134 N GLN B 5 8.070 16.592 -4.783 1.00 0.00 N ATOM 1135 CA GLN B 5 9.277 15.791 -4.949 1.00 0.00 C ATOM 1136 C GLN B 5 9.306 14.668 -3.920 1.00 0.00 C ATOM 1137 O GLN B 5 9.661 13.539 -4.233 1.00 0.00 O ATOM 1138 CB GLN B 5 10.527 16.660 -4.818 1.00 0.00 C ATOM 1139 CG GLN B 5 10.680 17.699 -5.916 1.00 0.00 C ATOM 1140 CD GLN B 5 11.923 18.539 -5.747 1.00 0.00 C ATOM 1141 OE1 GLN B 5 12.998 18.188 -6.242 1.00 0.00 O ATOM 1142 NE2 GLN B 5 11.794 19.653 -5.075 1.00 0.00 N ATOM 0 H GLN B 5 8.250 17.566 -4.537 1.00 0.00 H new ATOM 0 HA GLN B 5 9.266 15.356 -5.948 1.00 0.00 H new ATOM 0 HB2 GLN B 5 10.504 17.167 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN B 5 11.406 16.015 -4.818 1.00 0.00 H new ATOM 0 HG2 GLN B 5 10.712 17.198 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN B 5 9.805 18.348 -5.922 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.889 19.909 -4.681 1.00 0.00 H new ATOM 0 HE22 GLN B 5 12.599 20.266 -4.945 1.00 0.00 H new ATOM 1151 N LEU B 6 8.874 14.994 -2.712 1.00 0.00 N ATOM 1152 CA LEU B 6 8.788 14.048 -1.606 1.00 0.00 C ATOM 1153 C LEU B 6 7.860 12.882 -1.989 1.00 0.00 C ATOM 1154 O LEU B 6 8.201 11.716 -1.796 1.00 0.00 O ATOM 1155 CB LEU B 6 8.321 14.815 -0.322 1.00 0.00 C ATOM 1156 CG LEU B 6 8.087 14.042 1.009 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.759 13.301 1.024 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.241 13.091 1.308 1.00 0.00 C ATOM 0 H LEU B 6 8.569 15.936 -2.467 1.00 0.00 H new ATOM 0 HA LEU B 6 9.761 13.608 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.061 15.589 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.389 15.322 -0.570 1.00 0.00 H new ATOM 0 HG LEU B 6 8.046 14.791 1.800 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.645 12.778 1.974 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.943 14.014 0.901 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.736 12.579 0.208 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.047 12.567 2.244 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.335 12.367 0.499 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.167 13.659 1.396 1.00 0.00 H new ATOM 1170 N LYS B 7 6.722 13.212 -2.575 1.00 0.00 N ATOM 1171 CA LYS B 7 5.749 12.215 -3.009 1.00 0.00 C ATOM 1172 C LYS B 7 6.343 11.330 -4.090 1.00 0.00 C ATOM 1173 O LYS B 7 6.107 10.135 -4.117 1.00 0.00 O ATOM 1174 CB LYS B 7 4.507 12.901 -3.545 1.00 0.00 C ATOM 1175 CG LYS B 7 3.196 12.389 -2.932 1.00 0.00 C ATOM 1176 CD LYS B 7 2.772 10.994 -3.417 1.00 0.00 C ATOM 1177 CE LYS B 7 2.238 11.020 -4.842 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.670 9.712 -5.245 1.00 0.00 N ATOM 0 H LYS B 7 6.444 14.175 -2.765 1.00 0.00 H new ATOM 0 HA LYS B 7 5.482 11.598 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.588 13.972 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.468 12.766 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.300 12.367 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.400 13.098 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.625 10.317 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.006 10.596 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.472 11.790 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.042 11.292 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.474 9.719 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.351 8.956 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.786 9.542 -4.724 1.00 0.00 H new ATOM 1192 N ASN B 8 7.136 11.925 -4.958 1.00 0.00 N ATOM 1193 CA ASN B 8 7.789 11.186 -6.034 1.00 0.00 C ATOM 1194 C ASN B 8 8.853 10.233 -5.493 1.00 0.00 C ATOM 1195 O ASN B 8 9.120 9.186 -6.084 1.00 0.00 O ATOM 1196 CB ASN B 8 8.381 12.109 -7.106 1.00 0.00 C ATOM 1197 CG ASN B 8 7.364 12.667 -8.100 1.00 0.00 C ATOM 1198 OD1 ASN B 8 7.099 12.056 -9.140 1.00 0.00 O ATOM 1199 ND2 ASN B 8 6.819 13.823 -7.825 1.00 0.00 N ATOM 0 H ASN B 8 7.348 12.923 -4.944 1.00 0.00 H new ATOM 0 HA ASN B 8 7.011 10.593 -6.515 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.881 12.942 -6.613 1.00 0.00 H new ATOM 0 HB3 ASN B 8 9.144 11.560 -7.657 1.00 0.00 H new ATOM 0 HD21 ASN B 8 6.156 14.242 -8.477 1.00 0.00 H new ATOM 0 HD22 ASN B 8 7.056 14.305 -6.958 1.00 0.00 H new ATOM 1206 N LYS B 9 9.441 10.584 -4.358 1.00 0.00 N ATOM 1207 CA LYS B 9 10.408 9.708 -3.693 1.00 0.00 C ATOM 1208 C LYS B 9 9.668 8.573 -3.004 1.00 0.00 C ATOM 1209 O LYS B 9 10.170 7.452 -2.908 1.00 0.00 O ATOM 1210 CB LYS B 9 11.260 10.479 -2.678 1.00 0.00 C ATOM 1211 CG LYS B 9 12.112 11.589 -3.284 1.00 0.00 C ATOM 1212 CD LYS B 9 13.115 11.059 -4.311 1.00 0.00 C ATOM 1213 CE LYS B 9 14.116 10.094 -3.691 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.145 9.672 -4.662 1.00 0.00 N ATOM 0 H LYS B 9 9.269 11.466 -3.876 1.00 0.00 H new ATOM 0 HA LYS B 9 11.083 9.304 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.602 10.913 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.914 9.776 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.462 12.323 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.649 12.106 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.578 10.556 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.650 11.896 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.597 10.569 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.590 9.217 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.808 9.016 -4.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.689 9.196 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.664 10.506 -5.002 1.00 0.00 H new ATOM 1228 N ILE B 10 8.476 8.877 -2.533 1.00 0.00 N ATOM 1229 CA ILE B 10 7.584 7.878 -1.978 1.00 0.00 C ATOM 1230 C ILE B 10 7.199 6.895 -3.073 1.00 0.00 C ATOM 1231 O ILE B 10 7.229 5.685 -2.862 1.00 0.00 O ATOM 1232 CB ILE B 10 6.324 8.540 -1.356 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.712 9.305 -0.084 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.230 7.519 -1.085 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.569 10.024 0.592 1.00 0.00 C ATOM 0 H ILE B 10 8.097 9.824 -2.524 1.00 0.00 H new ATOM 0 HA ILE B 10 8.096 7.343 -1.178 1.00 0.00 H new ATOM 0 HB ILE B 10 5.915 9.250 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.153 8.604 0.625 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.484 10.033 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.365 8.019 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.940 7.040 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.600 6.765 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.936 10.536 1.481 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.140 10.753 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.804 9.302 0.879 1.00 0.00 H new ATOM 1247 N GLU B 11 6.869 7.438 -4.250 1.00 0.00 N ATOM 1248 CA GLU B 11 6.591 6.640 -5.443 1.00 0.00 C ATOM 1249 C GLU B 11 7.763 5.730 -5.719 1.00 0.00 C ATOM 1250 O GLU B 11 7.600 4.533 -5.882 1.00 0.00 O ATOM 1251 CB GLU B 11 6.371 7.545 -6.662 1.00 0.00 C ATOM 1252 CG GLU B 11 5.166 8.459 -6.578 1.00 0.00 C ATOM 1253 CD GLU B 11 3.888 7.692 -6.524 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.456 7.149 -7.555 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.282 7.586 -5.446 1.00 0.00 O ATOM 0 H GLU B 11 6.788 8.444 -4.399 1.00 0.00 H new ATOM 0 HA GLU B 11 5.688 6.056 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.262 8.157 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.270 6.917 -7.547 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.249 9.089 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.154 9.124 -7.442 1.00 0.00 H new ATOM 1262 N ASN B 12 8.930 6.328 -5.723 1.00 0.00 N ATOM 1263 CA ASN B 12 10.203 5.658 -5.963 1.00 0.00 C ATOM 1264 C ASN B 12 10.393 4.461 -5.020 1.00 0.00 C ATOM 1265 O ASN B 12 10.627 3.339 -5.464 1.00 0.00 O ATOM 1266 CB ASN B 12 11.331 6.678 -5.752 1.00 0.00 C ATOM 1267 CG ASN B 12 12.721 6.140 -5.987 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.341 5.577 -5.095 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.246 6.390 -7.144 1.00 0.00 N ATOM 0 H ASN B 12 9.032 7.329 -5.554 1.00 0.00 H new ATOM 0 HA ASN B 12 10.219 5.275 -6.983 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.166 7.524 -6.419 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.271 7.059 -4.733 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.209 6.115 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.696 6.862 -7.862 1.00 0.00 H new ATOM 1276 N LYS B 13 10.233 4.707 -3.729 1.00 0.00 N ATOM 1277 CA LYS B 13 10.443 3.691 -2.708 1.00 0.00 C ATOM 1278 C LYS B 13 9.375 2.599 -2.798 1.00 0.00 C ATOM 1279 O LYS B 13 9.670 1.410 -2.633 1.00 0.00 O ATOM 1280 CB LYS B 13 10.426 4.344 -1.333 1.00 0.00 C ATOM 1281 CG LYS B 13 11.000 3.482 -0.218 1.00 0.00 C ATOM 1282 CD LYS B 13 12.458 3.142 -0.462 1.00 0.00 C ATOM 1283 CE LYS B 13 13.321 4.377 -0.608 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.720 4.022 -0.850 1.00 0.00 N ATOM 0 H LYS B 13 9.954 5.616 -3.359 1.00 0.00 H new ATOM 0 HA LYS B 13 11.413 3.221 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.989 5.276 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.398 4.605 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.903 4.006 0.733 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.421 2.562 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.831 2.537 0.365 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.541 2.535 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS B 13 12.951 4.987 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.248 4.983 0.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.261 4.880 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.118 3.579 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.776 3.354 -1.645 1.00 0.00 H new ATOM 1298 N LYS B 14 8.147 3.030 -3.050 1.00 0.00 N ATOM 1299 CA LYS B 14 7.006 2.167 -3.282 1.00 0.00 C ATOM 1300 C LYS B 14 7.358 1.190 -4.401 1.00 0.00 C ATOM 1301 O LYS B 14 7.247 -0.013 -4.243 1.00 0.00 O ATOM 1302 CB LYS B 14 5.812 3.057 -3.704 1.00 0.00 C ATOM 1303 CG LYS B 14 4.492 2.349 -3.968 1.00 0.00 C ATOM 1304 CD LYS B 14 3.390 3.336 -4.400 1.00 0.00 C ATOM 1305 CE LYS B 14 3.639 3.904 -5.790 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.660 4.965 -6.158 1.00 0.00 N ATOM 0 H LYS B 14 7.914 4.022 -3.099 1.00 0.00 H new ATOM 0 HA LYS B 14 6.745 1.605 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.649 3.800 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.094 3.599 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.632 1.597 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.176 1.822 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.425 2.830 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.334 4.153 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.648 4.314 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.589 3.098 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.970 5.435 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.724 4.537 -6.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.602 5.665 -5.391 1.00 0.00 H new ATOM 1320 N LYS B 15 7.847 1.741 -5.500 1.00 0.00 N ATOM 1321 CA LYS B 15 8.247 0.983 -6.676 1.00 0.00 C ATOM 1322 C LYS B 15 9.381 0.011 -6.361 1.00 0.00 C ATOM 1323 O LYS B 15 9.343 -1.148 -6.799 1.00 0.00 O ATOM 1324 CB LYS B 15 8.621 1.944 -7.805 1.00 0.00 C ATOM 1325 CG LYS B 15 7.427 2.736 -8.333 1.00 0.00 C ATOM 1326 CD LYS B 15 7.850 3.930 -9.176 1.00 0.00 C ATOM 1327 CE LYS B 15 8.583 3.527 -10.449 1.00 0.00 C ATOM 1328 NZ LYS B 15 7.725 2.773 -11.382 1.00 0.00 N ATOM 0 H LYS B 15 7.980 2.747 -5.602 1.00 0.00 H new ATOM 0 HA LYS B 15 7.403 0.376 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.381 2.638 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.066 1.379 -8.624 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.794 2.079 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.824 3.083 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.968 4.513 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.494 4.578 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.957 4.421 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.451 2.921 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.238 2.611 -12.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.471 1.858 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.860 3.317 -11.575 1.00 0.00 H new ATOM 1342 N GLU B 16 10.372 0.471 -5.576 1.00 0.00 N ATOM 1343 CA GLU B 16 11.472 -0.393 -5.132 1.00 0.00 C ATOM 1344 C GLU B 16 10.928 -1.615 -4.395 1.00 0.00 C ATOM 1345 O GLU B 16 11.350 -2.758 -4.635 1.00 0.00 O ATOM 1346 CB GLU B 16 12.451 0.328 -4.185 1.00 0.00 C ATOM 1347 CG GLU B 16 13.288 1.444 -4.774 1.00 0.00 C ATOM 1348 CD GLU B 16 14.488 1.705 -3.891 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.386 0.829 -3.860 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.557 2.727 -3.188 1.00 0.00 O ATOM 0 H GLU B 16 10.431 1.432 -5.239 1.00 0.00 H new ATOM 0 HA GLU B 16 12.007 -0.685 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.877 0.739 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.128 -0.417 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.616 1.174 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.689 2.350 -4.867 1.00 0.00 H new ATOM 1357 N LEU B 17 9.994 -1.360 -3.513 1.00 0.00 N ATOM 1358 CA LEU B 17 9.382 -2.378 -2.710 1.00 0.00 C ATOM 1359 C LEU B 17 8.534 -3.319 -3.547 1.00 0.00 C ATOM 1360 O LEU B 17 8.574 -4.535 -3.337 1.00 0.00 O ATOM 1361 CB LEU B 17 8.598 -1.727 -1.535 1.00 0.00 C ATOM 1362 CG LEU B 17 7.570 -2.573 -0.747 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.263 -2.722 -1.479 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.143 -3.907 -0.303 1.00 0.00 C ATOM 0 H LEU B 17 9.635 -0.422 -3.333 1.00 0.00 H new ATOM 0 HA LEU B 17 10.162 -3.002 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.331 -1.353 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.071 -0.860 -1.934 1.00 0.00 H new ATOM 0 HG LEU B 17 7.345 -2.016 0.162 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.578 -3.324 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.827 -1.738 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.436 -3.212 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.384 -4.464 0.246 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.452 -4.479 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.005 -3.736 0.342 1.00 0.00 H new ATOM 1376 N ILE B 18 7.780 -2.777 -4.481 1.00 0.00 N ATOM 1377 CA ILE B 18 6.914 -3.599 -5.302 1.00 0.00 C ATOM 1378 C ILE B 18 7.740 -4.633 -6.053 1.00 0.00 C ATOM 1379 O ILE B 18 7.370 -5.791 -6.126 1.00 0.00 O ATOM 1380 CB ILE B 18 6.074 -2.776 -6.303 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.197 -1.772 -5.562 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.193 -3.725 -7.118 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.639 -0.680 -6.442 1.00 0.00 C ATOM 0 H ILE B 18 7.749 -1.779 -4.690 1.00 0.00 H new ATOM 0 HA ILE B 18 6.214 -4.092 -4.627 1.00 0.00 H new ATOM 0 HB ILE B 18 6.744 -2.230 -6.967 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.370 -2.304 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.780 -1.317 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.597 -3.150 -7.827 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.823 -4.430 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.531 -4.272 -6.448 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.027 -0.007 -5.842 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.459 -0.121 -6.892 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.028 -1.123 -7.228 1.00 0.00 H new ATOM 1395 N GLN B 19 8.894 -4.205 -6.549 1.00 0.00 N ATOM 1396 CA GLN B 19 9.811 -5.090 -7.248 1.00 0.00 C ATOM 1397 C GLN B 19 10.321 -6.198 -6.325 1.00 0.00 C ATOM 1398 O GLN B 19 10.631 -7.305 -6.773 1.00 0.00 O ATOM 1399 CB GLN B 19 10.970 -4.300 -7.843 1.00 0.00 C ATOM 1400 CG GLN B 19 10.533 -3.321 -8.913 1.00 0.00 C ATOM 1401 CD GLN B 19 11.671 -2.558 -9.555 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.707 -2.278 -8.813 1.00 0.00 O flip ATOM 1403 NE2 GLN B 19 11.596 -2.201 -10.732 1.00 0.00 N flip ATOM 0 H GLN B 19 9.217 -3.240 -6.478 1.00 0.00 H new ATOM 0 HA GLN B 19 9.266 -5.564 -8.064 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.478 -3.756 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.695 -4.994 -8.268 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.991 -3.864 -9.688 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.834 -2.609 -8.475 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.772 -2.436 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.358 -1.670 -11.153 1.00 0.00 H new ATOM 1412 N LEU B 20 10.367 -5.911 -5.042 1.00 0.00 N ATOM 1413 CA LEU B 20 10.789 -6.887 -4.069 1.00 0.00 C ATOM 1414 C LEU B 20 9.695 -7.916 -3.805 1.00 0.00 C ATOM 1415 O LEU B 20 9.963 -9.118 -3.859 1.00 0.00 O ATOM 1416 CB LEU B 20 11.276 -6.241 -2.772 1.00 0.00 C ATOM 1417 CG LEU B 20 12.532 -5.369 -2.880 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.886 -4.790 -1.526 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.706 -6.170 -3.434 1.00 0.00 C ATOM 0 H LEU B 20 10.115 -5.004 -4.650 1.00 0.00 H new ATOM 0 HA LEU B 20 11.643 -7.412 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.468 -5.630 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.469 -7.032 -2.047 1.00 0.00 H new ATOM 0 HG LEU B 20 12.321 -4.552 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.780 -4.173 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.059 -4.180 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.075 -5.600 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.585 -5.529 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.919 -7.009 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.455 -6.545 -4.426 1.00 0.00 H new ATOM 1431 N VAL B 21 8.453 -7.478 -3.528 1.00 0.00 N ATOM 1432 CA VAL B 21 7.390 -8.449 -3.341 1.00 0.00 C ATOM 1433 C VAL B 21 7.098 -9.210 -4.664 1.00 0.00 C ATOM 1434 O VAL B 21 6.644 -10.351 -4.654 1.00 0.00 O ATOM 1435 CB VAL B 21 6.081 -7.824 -2.790 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.310 -6.693 -1.819 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.045 -7.512 -3.845 1.00 0.00 C ATOM 0 H VAL B 21 8.180 -6.500 -3.434 1.00 0.00 H new ATOM 0 HA VAL B 21 7.751 -9.150 -2.588 1.00 0.00 H new ATOM 0 HB VAL B 21 5.634 -8.623 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.350 -6.307 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.880 -7.057 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL B 21 6.866 -5.896 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.164 -7.079 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.458 -6.802 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.765 -8.429 -4.363 1.00 0.00 H new ATOM 1447 N ALA B 22 7.365 -8.560 -5.785 1.00 0.00 N ATOM 1448 CA ALA B 22 7.152 -9.154 -7.087 1.00 0.00 C ATOM 1449 C ALA B 22 8.127 -10.292 -7.335 1.00 0.00 C ATOM 1450 O ALA B 22 7.726 -11.375 -7.784 1.00 0.00 O ATOM 1451 CB ALA B 22 7.256 -8.109 -8.185 1.00 0.00 C ATOM 0 H ALA B 22 7.734 -7.610 -5.814 1.00 0.00 H new ATOM 0 HA ALA B 22 6.143 -9.565 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.092 -8.581 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.503 -7.337 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.248 -7.658 -8.165 1.00 0.00 H new ATOM 1457 N ARG B 23 9.402 -10.080 -6.980 1.00 0.00 N ATOM 1458 CA ARG B 23 10.433 -11.095 -7.201 1.00 0.00 C ATOM 1459 C ARG B 23 10.286 -12.269 -6.242 1.00 0.00 C ATOM 1460 O ARG B 23 10.980 -13.281 -6.366 1.00 0.00 O ATOM 1461 CB ARG B 23 11.842 -10.509 -7.141 1.00 0.00 C ATOM 1462 CG ARG B 23 12.246 -9.950 -5.793 1.00 0.00 C ATOM 1463 CD ARG B 23 13.636 -9.356 -5.851 1.00 0.00 C ATOM 1464 NE ARG B 23 13.729 -8.278 -6.843 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.867 -7.730 -7.277 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.035 -8.201 -6.870 1.00 0.00 N ATOM 1467 NH2 ARG B 23 14.831 -6.751 -8.160 1.00 0.00 N ATOM 0 H ARG B 23 9.739 -9.222 -6.543 1.00 0.00 H new ATOM 0 HA ARG B 23 10.283 -11.473 -8.212 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.554 -11.284 -7.424 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.921 -9.716 -7.885 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.532 -9.187 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.215 -10.740 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.907 -8.970 -4.868 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.355 -10.138 -6.096 1.00 0.00 H new ATOM 0 HE ARG B 23 12.856 -7.920 -7.231 1.00 0.00 H new ATOM 0 HH11 ARG B 23 16.070 -8.987 -6.221 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.900 -7.778 -7.205 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.935 -6.413 -8.511 1.00 0.00 H new ATOM 0 HH22 ARG B 23 15.699 -6.332 -8.492 1.00 0.00 H new ATOM 1481 N HIS B 24 9.396 -12.108 -5.276 1.00 0.00 N ATOM 1482 CA HIS B 24 9.014 -13.176 -4.372 1.00 0.00 C ATOM 1483 C HIS B 24 8.304 -14.292 -5.172 1.00 0.00 C ATOM 1484 O HIS B 24 8.316 -15.475 -4.781 1.00 0.00 O ATOM 1485 CB HIS B 24 8.103 -12.609 -3.253 1.00 0.00 C ATOM 1486 CG HIS B 24 7.489 -13.640 -2.352 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.034 -14.347 -1.341 1.00 0.00 N flip ATOM 1488 CD2 HIS B 24 6.181 -14.057 -2.442 1.00 0.00 C flip ATOM 1489 CE1 HIS B 24 7.078 -15.199 -0.811 1.00 0.00 C flip ATOM 1490 NE2 HIS B 24 5.980 -14.984 -1.507 1.00 0.00 N flip ATOM 0 H HIS B 24 8.916 -11.226 -5.098 1.00 0.00 H new ATOM 0 HA HIS B 24 9.898 -13.605 -3.899 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.687 -11.918 -2.645 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.304 -12.029 -3.715 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.446 -13.696 -3.147 1.00 0.00 H new ATOM 0 HE1 HIS B 24 7.206 -15.896 0.004 1.00 0.00 H new ATOM 0 HE2 HIS B 24 5.094 -15.464 -1.350 1.00 0.00 H new ATOM 1498 N GLY B 25 7.704 -13.907 -6.289 1.00 0.00 N ATOM 1499 CA GLY B 25 7.066 -14.868 -7.145 1.00 0.00 C ATOM 1500 C GLY B 25 5.692 -14.447 -7.602 1.00 0.00 C ATOM 1501 O GLY B 25 4.794 -15.275 -7.692 1.00 0.00 O ATOM 0 H GLY B 25 7.651 -12.941 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.695 -15.038 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.989 -15.819 -6.617 1.00 0.00 H new ATOM 1505 N LEU B 26 5.507 -13.171 -7.889 1.00 0.00 N ATOM 1506 CA LEU B 26 4.225 -12.720 -8.375 1.00 0.00 C ATOM 1507 C LEU B 26 4.174 -12.703 -9.871 1.00 0.00 C ATOM 1508 O LEU B 26 5.197 -12.544 -10.554 1.00 0.00 O ATOM 1509 CB LEU B 26 3.845 -11.333 -7.863 1.00 0.00 C ATOM 1510 CG LEU B 26 3.542 -11.201 -6.388 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.058 -9.805 -6.037 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.598 -12.288 -5.880 1.00 0.00 C ATOM 0 H LEU B 26 6.216 -12.444 -7.795 1.00 0.00 H new ATOM 0 HA LEU B 26 3.506 -13.441 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.659 -10.649 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.971 -10.995 -8.419 1.00 0.00 H new ATOM 0 HG LEU B 26 4.484 -11.354 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.851 -9.750 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.827 -9.077 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.148 -9.584 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.416 -12.143 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.653 -12.231 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.050 -13.267 -6.041 1.00 0.00 H new ATOM 1524 N ASP B 27 2.990 -12.874 -10.368 1.00 0.00 N ATOM 1525 CA ASP B 27 2.714 -12.757 -11.788 1.00 0.00 C ATOM 1526 C ASP B 27 2.552 -11.295 -12.060 1.00 0.00 C ATOM 1527 O ASP B 27 2.321 -10.537 -11.109 1.00 0.00 O ATOM 1528 CB ASP B 27 1.390 -13.442 -12.156 1.00 0.00 C ATOM 1529 CG ASP B 27 1.328 -14.894 -11.795 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.775 -15.736 -12.581 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.791 -15.225 -10.716 1.00 0.00 O ATOM 0 H ASP B 27 2.171 -13.101 -9.804 1.00 0.00 H new ATOM 0 HA ASP B 27 3.517 -13.221 -12.361 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.573 -12.920 -11.657 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.226 -13.339 -13.229 1.00 0.00 H new ATOM 1536 N HIS B 28 2.624 -10.882 -13.319 1.00 0.00 N ATOM 1537 CA HIS B 28 2.440 -9.461 -13.683 1.00 0.00 C ATOM 1538 C HIS B 28 1.152 -8.921 -13.096 1.00 0.00 C ATOM 1539 O HIS B 28 1.124 -7.835 -12.552 1.00 0.00 O ATOM 1540 CB HIS B 28 2.447 -9.245 -15.204 1.00 0.00 C ATOM 1541 CG HIS B 28 3.764 -9.516 -15.865 1.00 0.00 C ATOM 1542 ND1 HIS B 28 4.008 -10.589 -16.687 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.913 -8.808 -15.828 1.00 0.00 C ATOM 1544 CE1 HIS B 28 5.263 -10.513 -17.116 1.00 0.00 C ATOM 1545 NE2 HIS B 28 5.868 -9.439 -16.622 1.00 0.00 N ATOM 0 H HIS B 28 2.807 -11.499 -14.110 1.00 0.00 H new ATOM 0 HA HIS B 28 3.286 -8.916 -13.265 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.690 -9.889 -15.653 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.155 -8.216 -15.413 1.00 0.00 H new ATOM 0 HD2 HIS B 28 5.067 -7.896 -15.271 1.00 0.00 H new ATOM 0 HE1 HIS B 28 5.729 -11.228 -17.778 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.829 -9.139 -16.789 1.00 0.00 H new ATOM 1553 N ASP B 29 0.122 -9.748 -13.134 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.190 -9.418 -12.604 1.00 0.00 C ATOM 1555 C ASP B 29 -1.127 -9.103 -11.122 1.00 0.00 C ATOM 1556 O ASP B 29 -1.644 -8.089 -10.672 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.140 -10.578 -12.850 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.452 -10.435 -12.128 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.363 -9.764 -12.651 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.602 -11.026 -11.046 1.00 0.00 O ATOM 0 H ASP B 29 0.174 -10.682 -13.540 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.553 -8.527 -13.117 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.329 -10.663 -13.920 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -1.660 -11.505 -12.537 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.451 -9.952 -10.388 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.301 -9.802 -8.968 1.00 0.00 C ATOM 1567 C LYS B 30 0.460 -8.526 -8.635 1.00 0.00 C ATOM 1568 O LYS B 30 0.095 -7.802 -7.718 1.00 0.00 O ATOM 1569 CB LYS B 30 0.396 -11.025 -8.415 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.413 -12.322 -8.449 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.428 -12.435 -7.325 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.766 -11.724 -7.551 1.00 0.00 C ATOM 1573 NZ LYS B 30 -3.523 -12.232 -8.724 1.00 0.00 N ATOM 0 H LYS B 30 0.015 -10.776 -10.768 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.283 -9.716 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.318 -11.179 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.680 -10.823 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.932 -12.391 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.271 -13.169 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.627 -13.492 -7.147 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.978 -12.038 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.381 -11.834 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.583 -10.658 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -4.543 -12.137 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.266 -11.681 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -3.290 -13.234 -8.880 1.00 0.00 H new ATOM 1587 N VAL B 31 1.491 -8.248 -9.416 1.00 0.00 N ATOM 1588 CA VAL B 31 2.284 -7.037 -9.265 1.00 0.00 C ATOM 1589 C VAL B 31 1.402 -5.804 -9.513 1.00 0.00 C ATOM 1590 O VAL B 31 1.447 -4.829 -8.755 1.00 0.00 O ATOM 1591 CB VAL B 31 3.480 -7.022 -10.256 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.402 -5.837 -10.017 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.242 -8.325 -10.188 1.00 0.00 C ATOM 0 H VAL B 31 1.803 -8.856 -10.174 1.00 0.00 H new ATOM 0 HA VAL B 31 2.677 -7.015 -8.248 1.00 0.00 H new ATOM 0 HB VAL B 31 3.072 -6.911 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.224 -5.866 -10.732 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.843 -4.910 -10.144 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.800 -5.885 -9.004 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.076 -8.296 -10.889 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.623 -8.472 -9.177 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.578 -9.149 -10.449 1.00 0.00 H new ATOM 1603 N LEU B 32 0.585 -5.868 -10.560 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.317 -4.775 -10.918 1.00 0.00 C ATOM 1605 C LEU B 32 -1.338 -4.529 -9.832 1.00 0.00 C ATOM 1606 O LEU B 32 -1.573 -3.387 -9.451 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.025 -5.046 -12.247 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.121 -5.283 -13.455 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.939 -5.425 -14.714 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.920 -4.185 -13.593 1.00 0.00 C ATOM 0 H LEU B 32 0.528 -6.674 -11.182 1.00 0.00 H new ATOM 0 HA LEU B 32 0.295 -3.880 -11.030 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.666 -5.919 -12.122 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.677 -4.200 -12.467 1.00 0.00 H new ATOM 0 HG LEU B 32 0.415 -6.218 -13.294 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.275 -5.593 -15.562 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.619 -6.271 -14.612 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.514 -4.514 -14.879 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.546 -4.385 -14.462 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.421 -3.224 -13.718 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.541 -4.157 -12.697 1.00 0.00 H new ATOM 1622 N LEU B 33 -1.912 -5.594 -9.320 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.905 -5.507 -8.264 1.00 0.00 C ATOM 1624 C LEU B 33 -2.301 -4.976 -6.974 1.00 0.00 C ATOM 1625 O LEU B 33 -2.911 -4.149 -6.289 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.558 -6.856 -8.033 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.387 -7.399 -9.191 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.807 -8.818 -8.916 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.608 -6.528 -9.433 1.00 0.00 C ATOM 0 H LEU B 33 -1.706 -6.547 -9.621 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.670 -4.801 -8.586 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.778 -7.580 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.200 -6.782 -7.155 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.769 -7.384 -10.089 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.398 -9.191 -9.752 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -3.922 -9.442 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.406 -8.850 -8.006 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.185 -6.934 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.226 -6.511 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.289 -5.514 -9.674 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.105 -5.430 -6.655 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.422 -4.980 -5.464 1.00 0.00 C ATOM 1643 C PHE B 34 -0.095 -3.497 -5.567 1.00 0.00 C ATOM 1644 O PHE B 34 -0.417 -2.718 -4.668 1.00 0.00 O ATOM 1645 CB PHE B 34 0.859 -5.802 -5.229 1.00 0.00 C ATOM 1646 CG PHE B 34 1.650 -5.358 -4.028 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.277 -5.747 -2.758 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.756 -4.542 -4.174 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.989 -5.331 -1.658 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.468 -4.124 -3.077 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.084 -4.520 -1.818 1.00 0.00 C ATOM 0 H PHE B 34 -0.587 -6.113 -7.208 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.084 -5.129 -4.611 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.590 -6.851 -5.108 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.491 -5.735 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.416 -6.386 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.063 -4.230 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.687 -5.642 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.329 -3.485 -3.203 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.644 -4.193 -0.955 1.00 0.00 H new ATOM 1661 N SER B 35 0.489 -3.110 -6.688 1.00 0.00 N ATOM 1662 CA SER B 35 0.918 -1.753 -6.897 1.00 0.00 C ATOM 1663 C SER B 35 -0.237 -0.754 -6.851 1.00 0.00 C ATOM 1664 O SER B 35 -0.093 0.316 -6.288 1.00 0.00 O ATOM 1665 CB SER B 35 1.737 -1.634 -8.190 1.00 0.00 C ATOM 1666 OG SER B 35 1.065 -2.214 -9.285 1.00 0.00 O ATOM 0 H SER B 35 0.675 -3.733 -7.474 1.00 0.00 H new ATOM 0 HA SER B 35 1.569 -1.488 -6.064 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.936 -0.583 -8.400 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.703 -2.121 -8.056 1.00 0.00 H new ATOM 0 HG SER B 35 1.319 -3.157 -9.362 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.380 -1.128 -7.395 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.531 -0.234 -7.406 1.00 0.00 C ATOM 1674 C ARG B 36 -3.181 -0.099 -6.026 1.00 0.00 C ATOM 1675 O ARG B 36 -3.600 0.996 -5.650 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.546 -0.630 -8.485 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.057 -2.048 -8.373 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.865 -2.442 -9.585 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.101 -1.672 -9.697 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.657 -1.266 -10.840 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.011 -1.411 -11.995 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.844 -0.686 -10.817 1.00 0.00 N ATOM 0 H ARG B 36 -1.539 -2.036 -7.832 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.156 0.756 -7.665 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.394 0.053 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.086 -0.499 -9.464 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.215 -2.731 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.671 -2.145 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.265 -2.296 -10.483 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.104 -3.504 -9.531 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.578 -1.424 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.084 -1.835 -12.011 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -6.444 -1.098 -12.864 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.329 -0.551 -9.930 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.276 -0.373 -11.687 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.232 -1.193 -5.257 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.827 -1.131 -3.909 1.00 0.00 C ATOM 1698 C ASP B 37 -2.921 -0.306 -3.017 1.00 0.00 C ATOM 1699 O ASP B 37 -3.378 0.562 -2.265 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.007 -2.534 -3.312 1.00 0.00 C ATOM 1701 CG ASP B 37 -4.884 -2.546 -2.054 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.388 -2.320 -0.934 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.107 -2.806 -2.186 1.00 0.00 O ATOM 0 H ASP B 37 -2.880 -2.110 -5.531 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.813 -0.672 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.451 -3.187 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.028 -2.947 -3.069 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.622 -0.550 -3.171 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.573 0.159 -2.454 1.00 0.00 C ATOM 1710 C LEU B 38 -0.560 1.636 -2.826 1.00 0.00 C ATOM 1711 O LEU B 38 -0.406 2.499 -1.964 1.00 0.00 O ATOM 1712 CB LEU B 38 0.786 -0.501 -2.760 1.00 0.00 C ATOM 1713 CG LEU B 38 2.054 0.203 -2.267 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.008 0.458 -0.781 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.266 -0.631 -2.605 1.00 0.00 C ATOM 0 H LEU B 38 -1.265 -1.260 -3.811 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.767 0.097 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.774 -1.504 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.866 -0.615 -3.841 1.00 0.00 H new ATOM 0 HG LEU B 38 2.117 1.168 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.925 0.959 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.152 1.090 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.914 -0.490 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.165 -0.126 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.184 -1.605 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.325 -0.765 -3.685 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.732 1.914 -4.102 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.769 3.282 -4.606 1.00 0.00 C ATOM 1729 C ASP B 39 -1.897 4.049 -3.956 1.00 0.00 C ATOM 1730 O ASP B 39 -1.695 5.135 -3.407 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.946 3.291 -6.120 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.977 4.678 -6.682 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.100 5.303 -6.757 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.066 5.147 -7.078 1.00 0.00 O ATOM 0 H ASP B 39 -0.851 1.202 -4.823 1.00 0.00 H new ATOM 0 HA ASP B 39 0.178 3.762 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.132 2.733 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.872 2.776 -6.378 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.066 3.444 -3.960 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.234 4.039 -3.364 1.00 0.00 C ATOM 1741 C LYS B 40 -4.093 4.154 -1.862 1.00 0.00 C ATOM 1742 O LYS B 40 -4.545 5.120 -1.284 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.485 3.267 -3.729 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.789 3.295 -5.213 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.018 2.486 -5.562 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.251 2.476 -7.069 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.466 3.839 -7.628 1.00 0.00 N ATOM 0 H LYS B 40 -3.229 2.527 -4.377 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.327 5.048 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.373 2.232 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.333 3.681 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.933 4.327 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -4.933 2.907 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -6.901 1.464 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.889 2.904 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.394 2.017 -7.562 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.118 1.855 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.801 3.763 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.176 4.340 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.571 4.368 -7.608 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.449 3.175 -1.243 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.201 3.195 0.197 1.00 0.00 C ATOM 1763 C LEU B 41 -2.330 4.382 0.554 1.00 0.00 C ATOM 1764 O LEU B 41 -2.613 5.128 1.505 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.516 1.900 0.648 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.090 1.839 2.121 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.283 2.000 3.050 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.352 0.545 2.405 1.00 0.00 C ATOM 0 H LEU B 41 -3.085 2.349 -1.718 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.159 3.279 0.709 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.192 1.068 0.452 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.632 1.746 0.029 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.413 2.672 2.311 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -2.947 1.952 4.086 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -3.759 2.963 2.867 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.000 1.200 2.864 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.057 0.517 3.454 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.005 -0.301 2.189 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.463 0.487 1.776 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.311 4.580 -0.231 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.396 5.656 -0.007 1.00 0.00 C ATOM 1782 C ILE B 42 -1.059 6.983 -0.276 1.00 0.00 C ATOM 1783 O ILE B 42 -1.070 7.842 0.588 1.00 0.00 O ATOM 1784 CB ILE B 42 0.940 5.494 -0.789 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.732 4.324 -0.190 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.763 6.780 -0.756 1.00 0.00 C ATOM 1787 CD1 ILE B 42 3.086 4.076 -0.813 1.00 0.00 C ATOM 0 H ILE B 42 -1.093 4.001 -1.042 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.118 5.626 1.046 1.00 0.00 H new ATOM 0 HB ILE B 42 0.715 5.284 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.869 4.507 0.876 1.00 0.00 H new ATOM 0 HG13 ILE B 42 1.135 3.417 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.690 6.633 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.192 7.589 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.996 7.037 0.277 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.564 3.230 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.964 3.856 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.708 4.963 -0.696 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.686 7.122 -1.434 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.360 8.375 -1.801 1.00 0.00 C ATOM 1801 C ASN B 43 -3.484 8.714 -0.836 1.00 0.00 C ATOM 1802 O ASN B 43 -3.797 9.891 -0.616 1.00 0.00 O ATOM 1803 CB ASN B 43 -2.854 8.357 -3.248 1.00 0.00 C ATOM 1804 CG ASN B 43 -1.709 8.372 -4.254 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -0.630 8.931 -3.989 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -1.924 7.781 -5.398 1.00 0.00 N ATOM 0 H ASN B 43 -1.747 6.389 -2.140 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.615 9.167 -1.725 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.464 7.468 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.497 9.220 -3.420 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.194 7.767 -6.110 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.822 7.333 -5.580 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.059 7.680 -0.238 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.067 7.806 0.799 1.00 0.00 C ATOM 1815 C LYS B 44 -4.465 8.553 1.986 1.00 0.00 C ATOM 1816 O LYS B 44 -4.968 9.587 2.394 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.492 6.410 1.241 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.644 6.337 2.229 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.873 4.895 2.703 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.076 3.925 1.531 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.418 2.563 1.987 1.00 0.00 N ATOM 0 H LYS B 44 -3.832 6.712 -0.466 1.00 0.00 H new ATOM 0 HA LYS B 44 -5.931 8.353 0.422 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.766 5.839 0.354 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.629 5.914 1.685 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.433 6.976 3.086 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.552 6.719 1.763 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.019 4.570 3.298 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.746 4.863 3.355 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.870 4.300 0.885 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.167 3.888 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.546 1.943 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.650 2.193 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.300 2.592 2.538 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.345 8.041 2.481 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.647 8.623 3.627 1.00 0.00 C ATOM 1837 C PHE B 45 -1.892 9.905 3.281 1.00 0.00 C ATOM 1838 O PHE B 45 -1.580 10.710 4.162 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.740 7.600 4.297 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.479 6.664 5.215 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.157 5.556 4.726 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.493 6.903 6.577 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.838 4.709 5.583 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.171 6.057 7.440 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.843 4.959 6.940 1.00 0.00 C ATOM 0 H PHE B 45 -2.892 7.210 2.101 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.416 8.912 4.343 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.230 7.018 3.529 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -0.970 8.123 4.865 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.153 5.353 3.665 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -1.969 7.760 6.973 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.365 3.853 5.190 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.174 6.256 8.502 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.372 4.297 7.610 1.00 0.00 H new ATOM 1855 N MET B 46 -1.597 10.088 2.005 1.00 0.00 N ATOM 1856 CA MET B 46 -1.005 11.337 1.514 1.00 0.00 C ATOM 1857 C MET B 46 -2.082 12.403 1.513 1.00 0.00 C ATOM 1858 O MET B 46 -1.794 13.589 1.415 1.00 0.00 O ATOM 1859 CB MET B 46 -0.499 11.206 0.068 1.00 0.00 C ATOM 1860 CG MET B 46 0.605 10.197 -0.240 1.00 0.00 C ATOM 1861 SD MET B 46 2.253 10.653 0.330 1.00 0.00 S ATOM 1862 CE MET B 46 2.188 10.274 2.073 1.00 0.00 C ATOM 0 H MET B 46 -1.756 9.388 1.281 1.00 0.00 H new ATOM 0 HA MET B 46 -0.165 11.586 2.163 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.355 10.959 -0.559 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.145 12.188 -0.247 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.336 9.241 0.209 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.642 10.043 -1.318 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.185 10.011 2.426 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.827 11.144 2.621 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.512 9.435 2.238 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.338 11.937 1.567 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.545 12.769 1.554 1.00 0.00 C ATOM 1874 C ASN B 47 -4.667 13.482 0.197 1.00 0.00 C ATOM 1875 O ASN B 47 -5.409 14.451 0.040 1.00 0.00 O ATOM 1876 CB ASN B 47 -4.554 13.758 2.759 1.00 0.00 C ATOM 1877 CG ASN B 47 -5.891 14.467 2.974 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -6.967 13.939 2.629 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -5.852 15.651 3.539 1.00 0.00 N ATOM 0 H ASN B 47 -3.546 10.940 1.623 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.425 12.137 1.674 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.295 13.212 3.666 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.778 14.508 2.606 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -6.717 16.165 3.707 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -4.957 16.057 3.810 1.00 0.00 H new ATOM 1886 N VAL B 48 -3.993 12.911 -0.808 1.00 0.00 N ATOM 1887 CA VAL B 48 -3.969 13.463 -2.149 1.00 0.00 C ATOM 1888 C VAL B 48 -5.100 12.880 -2.916 1.00 0.00 C ATOM 1889 O VAL B 48 -5.062 11.730 -3.382 1.00 0.00 O ATOM 1890 CB VAL B 48 -2.654 13.192 -2.914 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -2.685 13.843 -4.305 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -1.458 13.680 -2.133 1.00 0.00 C ATOM 0 H VAL B 48 -3.451 12.053 -0.705 1.00 0.00 H new ATOM 0 HA VAL B 48 -4.053 14.545 -2.050 1.00 0.00 H new ATOM 0 HB VAL B 48 -2.562 12.113 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -1.748 13.638 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -3.515 13.433 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -2.813 14.920 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -0.548 13.476 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -1.547 14.753 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.415 13.164 -1.174 1.00 0.00 H new ATOM 1902 N LYS B 49 -6.085 13.644 -3.008 1.00 0.00 N ATOM 1903 CA LYS B 49 -7.307 13.302 -3.640 1.00 0.00 C ATOM 1904 C LYS B 49 -7.702 14.474 -4.512 1.00 0.00 C ATOM 1905 O LYS B 49 -8.876 14.662 -4.842 1.00 0.00 O ATOM 1906 CB LYS B 49 -8.340 13.099 -2.537 1.00 0.00 C ATOM 1907 CG LYS B 49 -8.367 14.290 -1.601 1.00 0.00 C ATOM 1908 CD LYS B 49 -9.320 14.141 -0.456 1.00 0.00 C ATOM 1909 CE LYS B 49 -9.333 15.418 0.363 1.00 0.00 C ATOM 1910 NZ LYS B 49 -7.974 15.793 0.824 1.00 0.00 N ATOM 0 H LYS B 49 -6.083 14.590 -2.627 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.229 12.400 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -9.326 12.955 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -8.106 12.194 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -7.364 14.453 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.634 15.181 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.321 13.925 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.024 13.299 0.169 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.750 16.228 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.986 15.289 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.047 16.520 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -7.494 14.954 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -7.427 16.168 0.023 1.00 0.00 H new ATOM 1924 N ASP B 50 -6.698 15.266 -4.871 1.00 0.00 N ATOM 1925 CA ASP B 50 -6.894 16.510 -5.602 1.00 0.00 C ATOM 1926 C ASP B 50 -7.661 16.352 -6.874 1.00 0.00 C ATOM 1927 O ASP B 50 -7.542 15.349 -7.577 1.00 0.00 O ATOM 1928 CB ASP B 50 -5.598 17.275 -5.859 1.00 0.00 C ATOM 1929 CG ASP B 50 -5.024 17.912 -4.624 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -5.517 18.979 -4.209 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -4.092 17.346 -4.027 1.00 0.00 O ATOM 0 H ASP B 50 -5.721 15.061 -4.662 1.00 0.00 H new ATOM 0 HA ASP B 50 -7.506 17.108 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -4.861 16.593 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -5.783 18.048 -6.605 1.00 0.00 H new ATOM 1936 N LYS B 51 -8.447 17.355 -7.162 1.00 0.00 N ATOM 1937 CA LYS B 51 -9.291 17.372 -8.343 1.00 0.00 C ATOM 1938 C LYS B 51 -8.623 18.140 -9.471 1.00 0.00 C ATOM 1939 O LYS B 51 -9.212 18.383 -10.528 1.00 0.00 O ATOM 1940 CB LYS B 51 -10.663 17.958 -7.999 1.00 0.00 C ATOM 1941 CG LYS B 51 -10.606 19.378 -7.435 1.00 0.00 C ATOM 1942 CD LYS B 51 -11.973 19.871 -6.987 1.00 0.00 C ATOM 1943 CE LYS B 51 -12.966 19.942 -8.136 1.00 0.00 C ATOM 1944 NZ LYS B 51 -14.287 20.420 -7.693 1.00 0.00 N ATOM 0 H LYS B 51 -8.525 18.192 -6.585 1.00 0.00 H new ATOM 0 HA LYS B 51 -9.437 16.349 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -11.282 17.958 -8.896 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -11.153 17.309 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -9.917 19.405 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -10.208 20.053 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -12.361 19.207 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -11.871 20.858 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -12.580 20.607 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -13.070 18.955 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -14.935 20.454 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -14.668 19.772 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -14.193 21.372 -7.286 1.00 0.00 H new ATOM 1958 N VAL B 52 -7.394 18.490 -9.244 1.00 0.00 N ATOM 1959 CA VAL B 52 -6.602 19.216 -10.209 1.00 0.00 C ATOM 1960 C VAL B 52 -5.698 18.225 -10.925 1.00 0.00 C ATOM 1961 O VAL B 52 -5.726 17.030 -10.607 1.00 0.00 O ATOM 1962 CB VAL B 52 -5.747 20.344 -9.540 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -6.633 21.312 -8.769 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -4.654 19.778 -8.635 1.00 0.00 C ATOM 0 H VAL B 52 -6.901 18.281 -8.376 1.00 0.00 H new ATOM 0 HA VAL B 52 -7.272 19.707 -10.915 1.00 0.00 H new ATOM 0 HB VAL B 52 -5.253 20.889 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -6.016 22.086 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -7.348 21.772 -9.451 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -7.171 20.772 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -4.087 20.597 -8.193 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -5.109 19.183 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.985 19.149 -9.222 1.00 0.00 H new ATOM 1974 N HIS B 53 -4.927 18.691 -11.882 1.00 0.00 N ATOM 1975 CA HIS B 53 -3.997 17.826 -12.569 1.00 0.00 C ATOM 1976 C HIS B 53 -2.863 17.454 -11.621 1.00 0.00 C ATOM 1977 O HIS B 53 -2.073 18.305 -11.196 1.00 0.00 O ATOM 1978 CB HIS B 53 -3.474 18.475 -13.869 1.00 0.00 C ATOM 1979 CG HIS B 53 -2.527 17.603 -14.667 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -2.910 16.464 -15.352 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -1.193 17.723 -14.872 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -1.827 15.943 -15.927 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -0.752 16.669 -15.672 1.00 0.00 N ATOM 0 H HIS B 53 -4.926 19.660 -12.201 1.00 0.00 H new ATOM 0 HA HIS B 53 -4.513 16.914 -12.870 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -4.325 18.736 -14.498 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -2.966 19.406 -13.617 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -0.569 18.511 -14.478 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -1.827 15.043 -16.525 1.00 0.00 H new ATOM 0 HE2 HIS B 53 0.200 16.495 -15.993 1.00 0.00 H new ATOM 1991 N LYS B 54 -2.843 16.207 -11.265 1.00 0.00 N ATOM 1992 CA LYS B 54 -1.883 15.644 -10.346 1.00 0.00 C ATOM 1993 C LYS B 54 -0.807 14.941 -11.141 1.00 0.00 C ATOM 1994 O LYS B 54 -0.716 15.119 -12.379 1.00 0.00 O ATOM 1995 CB LYS B 54 -2.617 14.627 -9.464 1.00 0.00 C ATOM 1996 CG LYS B 54 -3.693 15.240 -8.582 1.00 0.00 C ATOM 1997 CD LYS B 54 -4.543 14.181 -7.883 1.00 0.00 C ATOM 1998 CE LYS B 54 -5.322 13.336 -8.890 1.00 0.00 C ATOM 1999 NZ LYS B 54 -6.292 12.437 -8.237 1.00 0.00 N ATOM 0 H LYS B 54 -3.515 15.524 -11.614 1.00 0.00 H new ATOM 0 HA LYS B 54 -1.429 16.420 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -3.072 13.869 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -1.890 14.117 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -3.225 15.879 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.337 15.877 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.901 13.535 -7.283 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.238 14.665 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -5.848 13.993 -9.582 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.623 12.744 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.795 11.885 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.789 11.791 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.976 13.001 -7.693 1.00 0.00 H new ATOM 2013 N LEU B 55 0.015 14.164 -10.464 1.00 0.00 N ATOM 2014 CA LEU B 55 0.986 13.338 -11.137 1.00 0.00 C ATOM 2015 C LEU B 55 0.271 12.348 -12.015 1.00 0.00 C ATOM 2016 O LEU B 55 -0.740 11.752 -11.600 1.00 0.00 O ATOM 2017 CB LEU B 55 1.854 12.550 -10.152 1.00 0.00 C ATOM 2018 CG LEU B 55 2.851 13.322 -9.305 1.00 0.00 C ATOM 2019 CD1 LEU B 55 3.579 12.358 -8.385 1.00 0.00 C ATOM 2020 CD2 LEU B 55 3.848 14.062 -10.193 1.00 0.00 C ATOM 0 H LEU B 55 0.026 14.090 -9.447 1.00 0.00 H new ATOM 0 HA LEU B 55 1.628 14.000 -11.718 1.00 0.00 H new ATOM 0 HB2 LEU B 55 1.189 12.012 -9.477 1.00 0.00 H new ATOM 0 HB3 LEU B 55 2.407 11.801 -10.719 1.00 0.00 H new ATOM 0 HG LEU B 55 2.317 14.060 -8.707 1.00 0.00 H new ATOM 0 HD11 LEU B 55 4.296 12.908 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU B 55 2.858 11.859 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU B 55 4.106 11.614 -8.982 1.00 0.00 H new ATOM 0 HD21 LEU B 55 4.554 14.609 -9.569 1.00 0.00 H new ATOM 0 HD22 LEU B 55 4.389 13.344 -10.809 1.00 0.00 H new ATOM 0 HD23 LEU B 55 3.313 14.762 -10.836 1.00 0.00 H new ATOM 2032 N GLU B 56 0.765 12.192 -13.211 1.00 0.00 N ATOM 2033 CA GLU B 56 0.267 11.213 -14.124 1.00 0.00 C ATOM 2034 C GLU B 56 0.764 9.868 -13.608 1.00 0.00 C ATOM 2035 O GLU B 56 1.906 9.472 -13.850 1.00 0.00 O ATOM 2036 CB GLU B 56 0.803 11.523 -15.526 1.00 0.00 C ATOM 2037 CG GLU B 56 0.297 10.631 -16.636 1.00 0.00 C ATOM 2038 CD GLU B 56 0.905 11.002 -17.959 1.00 0.00 C ATOM 2039 OE1 GLU B 56 2.007 10.522 -18.281 1.00 0.00 O ATOM 2040 OE2 GLU B 56 0.303 11.785 -18.721 1.00 0.00 O ATOM 0 H GLU B 56 1.535 12.750 -13.580 1.00 0.00 H new ATOM 0 HA GLU B 56 -0.821 11.208 -14.191 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.550 12.555 -15.771 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.891 11.458 -15.501 1.00 0.00 H new ATOM 0 HG2 GLU B 56 0.531 9.592 -16.405 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -0.789 10.706 -16.699 1.00 0.00 H new ATOM 2047 N HIS B 57 -0.047 9.237 -12.807 1.00 0.00 N ATOM 2048 CA HIS B 57 0.337 8.030 -12.128 1.00 0.00 C ATOM 2049 C HIS B 57 -0.224 6.798 -12.783 1.00 0.00 C ATOM 2050 O HIS B 57 -1.436 6.700 -13.044 1.00 0.00 O ATOM 2051 CB HIS B 57 0.009 8.094 -10.611 1.00 0.00 C ATOM 2052 CG HIS B 57 -1.430 8.397 -10.253 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -1.936 9.675 -10.120 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -2.460 7.562 -9.975 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -3.218 9.581 -9.769 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -3.591 8.318 -9.669 1.00 0.00 N ATOM 0 H HIS B 57 -0.998 9.546 -12.605 1.00 0.00 H new ATOM 0 HA HIS B 57 1.421 7.951 -12.215 1.00 0.00 H new ATOM 0 HB2 HIS B 57 0.281 7.139 -10.161 1.00 0.00 H new ATOM 0 HB3 HIS B 57 0.643 8.854 -10.155 1.00 0.00 H new ATOM 0 HD1 HIS B 57 -1.418 10.541 -10.265 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -2.413 6.483 -9.988 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -3.866 10.426 -9.590 1.00 0.00 H new ATOM 2064 N HIS B 58 0.659 5.888 -13.066 1.00 0.00 N ATOM 2065 CA HIS B 58 0.356 4.629 -13.678 1.00 0.00 C ATOM 2066 C HIS B 58 1.563 3.743 -13.412 1.00 0.00 C ATOM 2067 O HIS B 58 2.586 4.233 -12.915 1.00 0.00 O ATOM 2068 CB HIS B 58 0.143 4.825 -15.204 1.00 0.00 C ATOM 2069 CG HIS B 58 -0.364 3.613 -15.939 1.00 0.00 C ATOM 2070 ND1 HIS B 58 0.381 2.883 -16.842 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -1.578 3.022 -15.898 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -0.383 1.905 -17.311 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -1.590 1.940 -16.768 1.00 0.00 N ATOM 0 H HIS B 58 1.652 6.008 -12.868 1.00 0.00 H new ATOM 0 HA HIS B 58 -0.556 4.185 -13.279 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -0.561 5.643 -15.355 1.00 0.00 H new ATOM 0 HB3 HIS B 58 1.089 5.132 -15.651 1.00 0.00 H new ATOM 0 HD1 HIS B 58 1.350 3.064 -17.103 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -2.408 3.341 -15.285 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -0.062 1.176 -18.040 1.00 0.00 H new ATOM 2081 N HIS B 59 1.465 2.481 -13.690 1.00 0.00 N ATOM 2082 CA HIS B 59 2.601 1.611 -13.531 1.00 0.00 C ATOM 2083 C HIS B 59 3.533 1.774 -14.727 1.00 0.00 C ATOM 2084 O HIS B 59 3.076 2.007 -15.859 1.00 0.00 O ATOM 2085 CB HIS B 59 2.168 0.129 -13.342 1.00 0.00 C ATOM 2086 CG HIS B 59 1.325 -0.459 -14.458 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -0.045 -0.601 -14.393 1.00 0.00 N ATOM 2088 CD2 HIS B 59 1.692 -0.970 -15.662 1.00 0.00 C ATOM 2089 CE1 HIS B 59 -0.459 -1.181 -15.518 1.00 0.00 C ATOM 2090 NE2 HIS B 59 0.560 -1.426 -16.329 1.00 0.00 N ATOM 0 H HIS B 59 0.617 2.026 -14.027 1.00 0.00 H new ATOM 0 HA HIS B 59 3.136 1.894 -12.625 1.00 0.00 H new ATOM 0 HB2 HIS B 59 3.065 -0.480 -13.230 1.00 0.00 H new ATOM 0 HB3 HIS B 59 1.609 0.049 -12.409 1.00 0.00 H new ATOM 0 HD2 HIS B 59 2.702 -1.015 -16.041 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -1.489 -1.420 -15.740 1.00 0.00 H new ATOM 0 HE2 HIS B 59 0.522 -1.859 -17.252 1.00 0.00 H new ATOM 2098 N HIS B 60 4.812 1.711 -14.491 1.00 0.00 N ATOM 2099 CA HIS B 60 5.754 1.781 -15.572 1.00 0.00 C ATOM 2100 C HIS B 60 5.955 0.371 -16.066 1.00 0.00 C ATOM 2101 O HIS B 60 6.467 -0.494 -15.328 1.00 0.00 O ATOM 2102 CB HIS B 60 7.092 2.404 -15.133 1.00 0.00 C ATOM 2103 CG HIS B 60 8.005 2.744 -16.286 1.00 0.00 C ATOM 2104 ND1 HIS B 60 9.161 2.061 -16.601 1.00 0.00 N ATOM 2105 CD2 HIS B 60 7.908 3.740 -17.198 1.00 0.00 C ATOM 2106 CE1 HIS B 60 9.713 2.650 -17.667 1.00 0.00 C ATOM 2107 NE2 HIS B 60 8.987 3.677 -18.067 1.00 0.00 N ATOM 0 H HIS B 60 5.226 1.612 -13.564 1.00 0.00 H new ATOM 0 HA HIS B 60 5.369 2.426 -16.362 1.00 0.00 H new ATOM 0 HB2 HIS B 60 6.891 3.309 -14.560 1.00 0.00 H new ATOM 0 HB3 HIS B 60 7.605 1.711 -14.466 1.00 0.00 H new ATOM 0 HD1 HIS B 60 9.530 1.249 -16.107 1.00 0.00 H new ATOM 0 HD2 HIS B 60 7.114 4.470 -17.242 1.00 0.00 H new ATOM 0 HE1 HIS B 60 10.630 2.328 -18.138 1.00 0.00 H new ATOM 2115 N HIS B 61 5.491 0.121 -17.252 1.00 0.00 N ATOM 2116 CA HIS B 61 5.558 -1.189 -17.835 1.00 0.00 C ATOM 2117 C HIS B 61 6.970 -1.503 -18.300 1.00 0.00 C ATOM 2118 O HIS B 61 7.655 -0.652 -18.869 1.00 0.00 O ATOM 2119 CB HIS B 61 4.510 -1.359 -18.977 1.00 0.00 C ATOM 2120 CG HIS B 61 4.660 -0.422 -20.158 1.00 0.00 C ATOM 2121 ND1 HIS B 61 3.986 0.775 -20.285 1.00 0.00 N ATOM 2122 CD2 HIS B 61 5.408 -0.544 -21.286 1.00 0.00 C ATOM 2123 CE1 HIS B 61 4.336 1.328 -21.450 1.00 0.00 C ATOM 2124 NE2 HIS B 61 5.197 0.569 -22.099 1.00 0.00 N ATOM 0 H HIS B 61 5.052 0.823 -17.848 1.00 0.00 H new ATOM 0 HA HIS B 61 5.301 -1.916 -17.065 1.00 0.00 H new ATOM 0 HB2 HIS B 61 4.563 -2.384 -19.343 1.00 0.00 H new ATOM 0 HB3 HIS B 61 3.515 -1.222 -18.554 1.00 0.00 H new ATOM 0 HD2 HIS B 61 6.062 -1.372 -21.516 1.00 0.00 H new ATOM 0 HE1 HIS B 61 3.962 2.274 -21.813 1.00 0.00 H new ATOM 0 HE2 HIS B 61 5.621 0.757 -23.008 1.00 0.00 H new ATOM 2132 N HIS B 62 7.411 -2.685 -17.996 1.00 0.00 N ATOM 2133 CA HIS B 62 8.707 -3.154 -18.404 1.00 0.00 C ATOM 2134 C HIS B 62 8.494 -4.429 -19.162 1.00 0.00 C ATOM 2135 O HIS B 62 8.315 -5.479 -18.518 1.00 0.00 O ATOM 2136 CB HIS B 62 9.658 -3.419 -17.211 1.00 0.00 C ATOM 2137 CG HIS B 62 9.988 -2.233 -16.353 1.00 0.00 C ATOM 2138 ND1 HIS B 62 9.986 -2.263 -14.973 1.00 0.00 N ATOM 2139 CD2 HIS B 62 10.381 -0.988 -16.697 1.00 0.00 C ATOM 2140 CE1 HIS B 62 10.362 -1.067 -14.531 1.00 0.00 C ATOM 2141 NE2 HIS B 62 10.617 -0.248 -15.538 1.00 0.00 N ATOM 2142 OXT HIS B 62 8.452 -4.390 -20.410 1.00 0.00 O ATOM 0 H HIS B 62 6.877 -3.362 -17.451 1.00 0.00 H new ATOM 0 HA HIS B 62 9.183 -2.384 -19.011 1.00 0.00 H new ATOM 0 HB2 HIS B 62 9.210 -4.186 -16.579 1.00 0.00 H new ATOM 0 HB3 HIS B 62 10.589 -3.831 -17.600 1.00 0.00 H new ATOM 0 HD1 HIS B 62 9.739 -3.064 -14.393 1.00 0.00 H new ATOM 0 HD2 HIS B 62 10.494 -0.623 -17.707 1.00 0.00 H new ATOM 0 HE1 HIS B 62 10.448 -0.800 -13.488 1.00 0.00 H new TER 2150 HIS B 62