USER MOD reduce.3.24.130724 H: found=0, std=0, add=1110, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1110 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 26 TYR OH : rot -157:sc= 0.271 USER MOD Set 1.2: B 39 HIS : no HE2:sc= 0.217 K(o=0.49,f=-6.5!) USER MOD Set 2.1: B 17 HIS : no HD1:sc= 0.747 K(o=1.1,f=-5.2!) USER MOD Set 2.2: B 20 THR OG1 : rot 162:sc= 0.323 USER MOD Set 3.1: A 26 TYR OH : rot -151:sc= 0.142 USER MOD Set 3.2: A 39 HIS : no HE2:sc= 0.256 K(o=0.4,f=-6.5!) USER MOD Set 4.1: A 17 HIS : no HD1:sc= 0.852 K(o=1.2,f=-5.1!) USER MOD Set 4.2: A 20 THR OG1 : rot 163:sc= 0.333 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0786 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= -0.0321 (180deg=-0.258) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 6 HIS : no HE2:sc= 0.435 K(o=0.44,f=-4.7!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.6!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.13) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 44 ASN : amide:sc= 0.594 K(o=0.59,f=-0.38) USER MOD Single : A 46 MET CE :methyl 155:sc= -2.16 (180deg=-5.07!) USER MOD Single : A 49 GLN : amide:sc= 0.0998 X(o=0.1,f=0) USER MOD Single : A 50 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-2.1) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 1.28 (180deg=1.1) USER MOD Single : A 56 THR OG1 : rot 88:sc= -0.23 USER MOD Single : A 64 TYR OH : rot 66:sc= 0.0545 USER MOD Single : A 66 THR OG1 : rot 29:sc= 0.271 USER MOD Single : B 1 GLY N :NH3+ -114:sc= 0.0835 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -164:sc= -0.0419 (180deg=-0.268) USER MOD Single : B 4 THR OG1 : rot 180:sc= -1.94! USER MOD Single : B 6 HIS : no HE2:sc= 0.368 K(o=0.37,f=-5.1!) USER MOD Single : B 18 THR OG1 : rot 180:sc= -1.48! USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.5!) USER MOD Single : B 27 GLN : amide:sc= 0.0017 K(o=0.0017,f=-0.54) USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.137 USER MOD Single : B 33 LYS NZ :NH3+ -172:sc= 1.12 (180deg=1.02) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 44 ASN : amide:sc= 0.535 K(o=0.53,f=-0.41) USER MOD Single : B 46 MET CE :methyl 152:sc= -2.18! (180deg=-5.11!) USER MOD Single : B 49 GLN : amide:sc= 0.0888 X(o=0.089,f=-0.00025) USER MOD Single : B 50 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-2.1) USER MOD Single : B 53 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.09) USER MOD Single : B 56 THR OG1 : rot 77:sc= -0.502 USER MOD Single : B 64 TYR OH : rot 58:sc= -0.0946 USER MOD Single : B 66 THR OG1 : rot 31:sc= 0.442 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.213 11.441 -9.879 1.00 0.00 N ATOM 2 CA GLY A 1 -2.456 10.518 -8.744 1.00 0.00 C ATOM 3 C GLY A 1 -3.934 10.317 -8.483 1.00 0.00 C ATOM 4 O GLY A 1 -4.755 11.096 -8.966 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.784 10.916 -10.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.115 11.855 -10.189 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.569 12.200 -9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.991 9.555 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.980 10.913 -7.847 1.00 0.00 H new ATOM 10 N PRO A 2 -4.309 9.278 -7.721 1.00 0.00 N ATOM 11 CA PRO A 2 -5.708 8.972 -7.430 1.00 0.00 C ATOM 12 C PRO A 2 -6.331 9.968 -6.464 1.00 0.00 C ATOM 13 O PRO A 2 -5.826 10.183 -5.362 1.00 0.00 O ATOM 14 CB PRO A 2 -5.664 7.583 -6.783 1.00 0.00 C ATOM 15 CG PRO A 2 -4.268 7.093 -6.972 1.00 0.00 C ATOM 16 CD PRO A 2 -3.408 8.316 -7.078 1.00 0.00 C ATOM 0 HA PRO A 2 -6.315 9.016 -8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.920 7.636 -5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.382 6.910 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.957 6.470 -6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.188 6.481 -7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.073 8.663 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.514 8.134 -7.675 1.00 0.00 H new ATOM 24 N LYS A 3 -7.419 10.580 -6.889 1.00 0.00 N ATOM 25 CA LYS A 3 -8.160 11.488 -6.034 1.00 0.00 C ATOM 26 C LYS A 3 -9.388 10.793 -5.477 1.00 0.00 C ATOM 27 O LYS A 3 -10.012 11.269 -4.530 1.00 0.00 O ATOM 28 CB LYS A 3 -8.572 12.728 -6.819 1.00 0.00 C ATOM 29 CG LYS A 3 -7.402 13.459 -7.455 1.00 0.00 C ATOM 30 CD LYS A 3 -6.452 14.041 -6.416 1.00 0.00 C ATOM 31 CE LYS A 3 -7.102 15.163 -5.623 1.00 0.00 C ATOM 32 NZ LYS A 3 -7.477 16.314 -6.487 1.00 0.00 N ATOM 0 H LYS A 3 -7.811 10.465 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.520 11.792 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.276 12.437 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.099 13.412 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.855 12.772 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.779 14.261 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.131 13.253 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.557 14.417 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.991 14.783 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.417 15.502 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.677 17.144 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.693 16.532 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.324 16.072 -7.039 1.00 0.00 H new ATOM 46 N THR A 4 -9.729 9.663 -6.074 1.00 0.00 N ATOM 47 CA THR A 4 -10.900 8.919 -5.669 1.00 0.00 C ATOM 48 C THR A 4 -10.583 7.442 -5.471 1.00 0.00 C ATOM 49 O THR A 4 -9.475 6.987 -5.779 1.00 0.00 O ATOM 50 CB THR A 4 -12.039 9.068 -6.691 1.00 0.00 C ATOM 51 OG1 THR A 4 -11.551 8.801 -8.010 1.00 0.00 O ATOM 52 CG2 THR A 4 -12.634 10.462 -6.641 1.00 0.00 C ATOM 0 H THR A 4 -9.207 9.243 -6.843 1.00 0.00 H new ATOM 0 HA THR A 4 -11.224 9.337 -4.716 1.00 0.00 H new ATOM 0 HB THR A 4 -12.818 8.349 -6.438 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.283 8.896 -8.655 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.437 10.541 -7.373 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.032 10.652 -5.644 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.861 11.196 -6.869 1.00 0.00 H new ATOM 60 N LEU A 5 -11.560 6.700 -4.977 1.00 0.00 N ATOM 61 CA LEU A 5 -11.373 5.300 -4.631 1.00 0.00 C ATOM 62 C LEU A 5 -11.034 4.471 -5.870 1.00 0.00 C ATOM 63 O LEU A 5 -10.036 3.748 -5.889 1.00 0.00 O ATOM 64 CB LEU A 5 -12.644 4.785 -3.939 1.00 0.00 C ATOM 65 CG LEU A 5 -12.523 3.450 -3.201 1.00 0.00 C ATOM 66 CD1 LEU A 5 -12.742 2.280 -4.143 1.00 0.00 C ATOM 67 CD2 LEU A 5 -11.170 3.343 -2.524 1.00 0.00 C ATOM 0 H LEU A 5 -12.503 7.049 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.531 5.202 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.975 5.541 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.428 4.690 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.300 3.414 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.650 1.345 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.738 2.346 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.995 2.307 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.098 2.388 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.382 3.407 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.056 4.157 -1.808 1.00 0.00 H new ATOM 79 N HIS A 6 -11.851 4.609 -6.905 1.00 0.00 N ATOM 80 CA HIS A 6 -11.668 3.871 -8.152 1.00 0.00 C ATOM 81 C HIS A 6 -10.259 4.051 -8.703 1.00 0.00 C ATOM 82 O HIS A 6 -9.628 3.094 -9.153 1.00 0.00 O ATOM 83 CB HIS A 6 -12.695 4.344 -9.184 1.00 0.00 C ATOM 84 CG HIS A 6 -12.539 3.727 -10.546 1.00 0.00 C ATOM 85 ND1 HIS A 6 -12.008 4.407 -11.619 1.00 0.00 N ATOM 86 CD2 HIS A 6 -12.858 2.493 -11.009 1.00 0.00 C ATOM 87 CE1 HIS A 6 -12.010 3.623 -12.678 1.00 0.00 C ATOM 88 NE2 HIS A 6 -12.518 2.456 -12.337 1.00 0.00 N ATOM 0 H HIS A 6 -12.658 5.233 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.814 2.811 -7.945 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.695 4.122 -8.811 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.623 5.427 -9.279 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -11.666 5.368 -11.597 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.298 1.689 -10.438 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.654 3.892 -13.662 1.00 0.00 H new ATOM 97 N GLU A 7 -9.767 5.276 -8.640 1.00 0.00 N ATOM 98 CA GLU A 7 -8.466 5.602 -9.196 1.00 0.00 C ATOM 99 C GLU A 7 -7.362 4.944 -8.382 1.00 0.00 C ATOM 100 O GLU A 7 -6.327 4.546 -8.917 1.00 0.00 O ATOM 101 CB GLU A 7 -8.268 7.114 -9.217 1.00 0.00 C ATOM 102 CG GLU A 7 -9.391 7.864 -9.907 1.00 0.00 C ATOM 103 CD GLU A 7 -9.642 7.386 -11.317 1.00 0.00 C ATOM 104 OE1 GLU A 7 -8.795 7.647 -12.197 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.696 6.761 -11.555 1.00 0.00 O ATOM 0 H GLU A 7 -10.251 6.063 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.420 5.224 -10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.178 7.474 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.328 7.342 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.305 7.754 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.152 8.927 -9.927 1.00 0.00 H new ATOM 112 N LEU A 8 -7.599 4.828 -7.084 1.00 0.00 N ATOM 113 CA LEU A 8 -6.649 4.207 -6.180 1.00 0.00 C ATOM 114 C LEU A 8 -6.577 2.712 -6.455 1.00 0.00 C ATOM 115 O LEU A 8 -5.498 2.118 -6.466 1.00 0.00 O ATOM 116 CB LEU A 8 -7.070 4.487 -4.734 1.00 0.00 C ATOM 117 CG LEU A 8 -6.028 4.196 -3.647 1.00 0.00 C ATOM 118 CD1 LEU A 8 -5.956 2.713 -3.331 1.00 0.00 C ATOM 119 CD2 LEU A 8 -4.664 4.717 -4.061 1.00 0.00 C ATOM 0 H LEU A 8 -8.451 5.160 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.655 4.626 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.356 5.536 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.961 3.897 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.340 4.716 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.208 2.542 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.928 2.368 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.680 2.162 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.939 4.501 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.354 4.231 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.718 5.794 -4.218 1.00 0.00 H new ATOM 131 N LEU A 9 -7.732 2.113 -6.693 1.00 0.00 N ATOM 132 CA LEU A 9 -7.807 0.698 -7.013 1.00 0.00 C ATOM 133 C LEU A 9 -7.067 0.396 -8.308 1.00 0.00 C ATOM 134 O LEU A 9 -6.361 -0.603 -8.404 1.00 0.00 O ATOM 135 CB LEU A 9 -9.262 0.244 -7.110 1.00 0.00 C ATOM 136 CG LEU A 9 -9.925 -0.150 -5.784 1.00 0.00 C ATOM 137 CD1 LEU A 9 -9.377 -1.473 -5.291 1.00 0.00 C ATOM 138 CD2 LEU A 9 -9.714 0.914 -4.726 1.00 0.00 C ATOM 0 H LEU A 9 -8.634 2.588 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.326 0.143 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.845 1.047 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.313 -0.608 -7.788 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.995 -0.248 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.858 -1.738 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.577 -2.248 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.301 -1.387 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.196 0.605 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.646 1.049 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.148 1.855 -5.064 1.00 0.00 H new ATOM 150 N GLU A 10 -7.213 1.267 -9.298 1.00 0.00 N ATOM 151 CA GLU A 10 -6.480 1.111 -10.549 1.00 0.00 C ATOM 152 C GLU A 10 -4.986 1.309 -10.318 1.00 0.00 C ATOM 153 O GLU A 10 -4.154 0.669 -10.959 1.00 0.00 O ATOM 154 CB GLU A 10 -6.968 2.103 -11.602 1.00 0.00 C ATOM 155 CG GLU A 10 -8.400 1.876 -12.046 1.00 0.00 C ATOM 156 CD GLU A 10 -8.768 2.739 -13.233 1.00 0.00 C ATOM 157 OE1 GLU A 10 -8.949 3.957 -13.051 1.00 0.00 O ATOM 158 OE2 GLU A 10 -8.871 2.205 -14.356 1.00 0.00 O ATOM 0 H GLU A 10 -7.826 2.082 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.660 0.100 -10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.878 3.114 -11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.315 2.044 -12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.537 0.826 -12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.075 2.091 -11.218 1.00 0.00 H new ATOM 165 N ARG A 11 -4.662 2.192 -9.380 1.00 0.00 N ATOM 166 CA ARG A 11 -3.282 2.512 -9.052 1.00 0.00 C ATOM 167 C ARG A 11 -2.562 1.279 -8.531 1.00 0.00 C ATOM 168 O ARG A 11 -1.433 0.998 -8.915 1.00 0.00 O ATOM 169 CB ARG A 11 -3.252 3.615 -7.993 1.00 0.00 C ATOM 170 CG ARG A 11 -2.215 4.694 -8.236 1.00 0.00 C ATOM 171 CD ARG A 11 -0.798 4.194 -8.041 1.00 0.00 C ATOM 172 NE ARG A 11 0.169 5.260 -8.285 1.00 0.00 N ATOM 173 CZ ARG A 11 1.279 5.129 -9.002 1.00 0.00 C ATOM 174 NH1 ARG A 11 1.667 3.943 -9.450 1.00 0.00 N ATOM 175 NH2 ARG A 11 2.021 6.201 -9.236 1.00 0.00 N ATOM 0 H ARG A 11 -5.349 2.704 -8.827 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.775 2.857 -9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.237 4.080 -7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.064 3.161 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.325 5.077 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.398 5.528 -7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.678 3.814 -7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.606 3.361 -8.717 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.022 6.174 -7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.110 3.113 -9.245 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.522 3.860 -9.999 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.737 7.109 -8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.877 6.119 -9.785 1.00 0.00 H new ATOM 189 N ILE A 12 -3.235 0.541 -7.660 1.00 0.00 N ATOM 190 CA ILE A 12 -2.639 -0.628 -7.039 1.00 0.00 C ATOM 191 C ILE A 12 -2.938 -1.900 -7.824 1.00 0.00 C ATOM 192 O ILE A 12 -2.339 -2.943 -7.580 1.00 0.00 O ATOM 193 CB ILE A 12 -3.108 -0.782 -5.583 1.00 0.00 C ATOM 194 CG1 ILE A 12 -4.622 -0.992 -5.506 1.00 0.00 C ATOM 195 CG2 ILE A 12 -2.708 0.454 -4.799 1.00 0.00 C ATOM 196 CD1 ILE A 12 -5.123 -1.230 -4.098 1.00 0.00 C ATOM 0 H ILE A 12 -4.194 0.733 -7.369 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.560 -0.475 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.632 -1.663 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.124 -0.118 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.896 -1.843 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.038 0.352 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.624 0.566 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.175 1.333 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.204 -1.371 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.647 -2.121 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.879 -0.370 -3.475 1.00 0.00 H new ATOM 208 N GLY A 13 -3.868 -1.810 -8.760 1.00 0.00 N ATOM 209 CA GLY A 13 -4.145 -2.931 -9.635 1.00 0.00 C ATOM 210 C GLY A 13 -5.214 -3.854 -9.091 1.00 0.00 C ATOM 211 O GLY A 13 -5.171 -5.063 -9.310 1.00 0.00 O ATOM 0 H GLY A 13 -4.437 -0.981 -8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.458 -2.556 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.228 -3.498 -9.791 1.00 0.00 H new ATOM 215 N LEU A 14 -6.172 -3.282 -8.380 1.00 0.00 N ATOM 216 CA LEU A 14 -7.292 -4.043 -7.852 1.00 0.00 C ATOM 217 C LEU A 14 -8.605 -3.439 -8.301 1.00 0.00 C ATOM 218 O LEU A 14 -9.614 -3.538 -7.603 1.00 0.00 O ATOM 219 CB LEU A 14 -7.260 -4.117 -6.324 1.00 0.00 C ATOM 220 CG LEU A 14 -6.292 -5.140 -5.730 1.00 0.00 C ATOM 221 CD1 LEU A 14 -6.362 -6.443 -6.496 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.872 -4.615 -5.708 1.00 0.00 C ATOM 0 H LEU A 14 -6.196 -2.288 -8.154 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.204 -5.056 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.001 -3.132 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.265 -4.346 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.595 -5.321 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.666 -7.160 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.375 -6.842 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.095 -6.267 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.212 -5.369 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.552 -4.389 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.828 -3.709 -5.104 1.00 0.00 H new ATOM 234 N GLU A 15 -8.594 -2.832 -9.480 1.00 0.00 N ATOM 235 CA GLU A 15 -9.795 -2.234 -10.045 1.00 0.00 C ATOM 236 C GLU A 15 -10.888 -3.285 -10.223 1.00 0.00 C ATOM 237 O GLU A 15 -12.068 -2.954 -10.315 1.00 0.00 O ATOM 238 CB GLU A 15 -9.485 -1.564 -11.379 1.00 0.00 C ATOM 239 CG GLU A 15 -8.904 -2.509 -12.414 1.00 0.00 C ATOM 240 CD GLU A 15 -8.759 -1.869 -13.774 1.00 0.00 C ATOM 241 OE1 GLU A 15 -9.772 -1.769 -14.498 1.00 0.00 O ATOM 242 OE2 GLU A 15 -7.635 -1.471 -14.132 1.00 0.00 O ATOM 0 H GLU A 15 -7.763 -2.741 -10.065 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.155 -1.475 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.399 -1.123 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.783 -0.747 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.928 -2.856 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.544 -3.388 -12.497 1.00 0.00 H new ATOM 249 N GLU A 16 -10.473 -4.550 -10.246 1.00 0.00 N ATOM 250 CA GLU A 16 -11.388 -5.684 -10.310 1.00 0.00 C ATOM 251 C GLU A 16 -12.321 -5.713 -9.101 1.00 0.00 C ATOM 252 O GLU A 16 -13.384 -6.329 -9.138 1.00 0.00 O ATOM 253 CB GLU A 16 -10.588 -6.987 -10.348 1.00 0.00 C ATOM 254 CG GLU A 16 -9.698 -7.170 -9.128 1.00 0.00 C ATOM 255 CD GLU A 16 -8.937 -8.476 -9.133 1.00 0.00 C ATOM 256 OE1 GLU A 16 -9.195 -9.318 -8.246 1.00 0.00 O ATOM 257 OE2 GLU A 16 -8.068 -8.658 -10.009 1.00 0.00 O ATOM 0 H GLU A 16 -9.489 -4.817 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.989 -5.580 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.277 -7.829 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.972 -7.003 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.988 -6.344 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.311 -7.118 -8.228 1.00 0.00 H new ATOM 264 N HIS A 17 -11.912 -5.052 -8.026 1.00 0.00 N ATOM 265 CA HIS A 17 -12.664 -5.085 -6.786 1.00 0.00 C ATOM 266 C HIS A 17 -13.176 -3.708 -6.398 1.00 0.00 C ATOM 267 O HIS A 17 -13.679 -3.533 -5.292 1.00 0.00 O ATOM 268 CB HIS A 17 -11.808 -5.644 -5.648 1.00 0.00 C ATOM 269 CG HIS A 17 -11.633 -7.133 -5.686 1.00 0.00 C ATOM 270 ND1 HIS A 17 -12.693 -8.017 -5.704 1.00 0.00 N ATOM 271 CD2 HIS A 17 -10.511 -7.894 -5.693 1.00 0.00 C ATOM 272 CE1 HIS A 17 -12.230 -9.255 -5.718 1.00 0.00 C ATOM 273 NE2 HIS A 17 -10.913 -9.207 -5.712 1.00 0.00 N ATOM 0 H HIS A 17 -11.063 -4.487 -7.991 1.00 0.00 H new ATOM 0 HA HIS A 17 -13.521 -5.737 -6.953 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.826 -5.173 -5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.262 -5.367 -4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.492 -7.535 -5.685 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.829 -10.153 -5.732 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.292 -10.016 -5.720 1.00 0.00 H new ATOM 282 N THR A 18 -13.060 -2.736 -7.294 1.00 0.00 N ATOM 283 CA THR A 18 -13.517 -1.386 -6.989 1.00 0.00 C ATOM 284 C THR A 18 -14.991 -1.389 -6.604 1.00 0.00 C ATOM 285 O THR A 18 -15.381 -0.811 -5.589 1.00 0.00 O ATOM 286 CB THR A 18 -13.331 -0.429 -8.171 1.00 0.00 C ATOM 287 OG1 THR A 18 -12.023 -0.577 -8.733 1.00 0.00 O ATOM 288 CG2 THR A 18 -13.538 1.003 -7.711 1.00 0.00 C ATOM 0 H THR A 18 -12.660 -2.854 -8.225 1.00 0.00 H new ATOM 0 HA THR A 18 -12.907 -1.038 -6.155 1.00 0.00 H new ATOM 0 HB THR A 18 -14.068 -0.671 -8.937 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.920 0.039 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.405 1.679 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 18 -14.546 1.115 -7.312 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.812 1.244 -6.935 1.00 0.00 H new ATOM 296 N SER A 19 -15.799 -2.058 -7.415 1.00 0.00 N ATOM 297 CA SER A 19 -17.217 -2.183 -7.142 1.00 0.00 C ATOM 298 C SER A 19 -17.438 -2.894 -5.814 1.00 0.00 C ATOM 299 O SER A 19 -18.356 -2.562 -5.076 1.00 0.00 O ATOM 300 CB SER A 19 -17.900 -2.945 -8.272 1.00 0.00 C ATOM 301 OG SER A 19 -17.611 -2.351 -9.527 1.00 0.00 O ATOM 0 H SER A 19 -15.492 -2.523 -8.269 1.00 0.00 H new ATOM 0 HA SER A 19 -17.653 -1.186 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.566 -3.983 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 19 -18.978 -2.956 -8.110 1.00 0.00 H new ATOM 0 HG SER A 19 -18.057 -2.856 -10.238 1.00 0.00 H new ATOM 307 N THR A 20 -16.572 -3.853 -5.506 1.00 0.00 N ATOM 308 CA THR A 20 -16.639 -4.568 -4.242 1.00 0.00 C ATOM 309 C THR A 20 -16.512 -3.591 -3.080 1.00 0.00 C ATOM 310 O THR A 20 -17.314 -3.611 -2.146 1.00 0.00 O ATOM 311 CB THR A 20 -15.519 -5.617 -4.136 1.00 0.00 C ATOM 312 OG1 THR A 20 -15.447 -6.389 -5.343 1.00 0.00 O ATOM 313 CG2 THR A 20 -15.758 -6.535 -2.952 1.00 0.00 C ATOM 0 H THR A 20 -15.813 -4.152 -6.119 1.00 0.00 H new ATOM 0 HA THR A 20 -17.603 -5.075 -4.199 1.00 0.00 H new ATOM 0 HB THR A 20 -14.573 -5.095 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.585 -6.853 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.955 -7.270 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.779 -5.947 -2.034 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.712 -7.048 -3.076 1.00 0.00 H new ATOM 321 N LEU A 21 -15.504 -2.731 -3.154 1.00 0.00 N ATOM 322 CA LEU A 21 -15.310 -1.698 -2.154 1.00 0.00 C ATOM 323 C LEU A 21 -16.528 -0.783 -2.104 1.00 0.00 C ATOM 324 O LEU A 21 -17.121 -0.589 -1.045 1.00 0.00 O ATOM 325 CB LEU A 21 -14.043 -0.879 -2.449 1.00 0.00 C ATOM 326 CG LEU A 21 -12.714 -1.478 -1.960 1.00 0.00 C ATOM 327 CD1 LEU A 21 -12.849 -2.032 -0.554 1.00 0.00 C ATOM 328 CD2 LEU A 21 -12.208 -2.550 -2.905 1.00 0.00 C ATOM 0 H LEU A 21 -14.808 -2.732 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.186 -2.179 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.975 -0.731 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.160 0.106 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.982 -0.671 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.894 -2.449 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.141 -1.232 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.609 -2.814 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.267 -2.952 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.943 -3.352 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.049 -2.118 -3.893 1.00 0.00 H new ATOM 340 N LEU A 22 -16.917 -0.265 -3.264 1.00 0.00 N ATOM 341 CA LEU A 22 -18.059 0.646 -3.377 1.00 0.00 C ATOM 342 C LEU A 22 -19.333 0.047 -2.779 1.00 0.00 C ATOM 343 O LEU A 22 -20.080 0.730 -2.072 1.00 0.00 O ATOM 344 CB LEU A 22 -18.298 1.008 -4.846 1.00 0.00 C ATOM 345 CG LEU A 22 -17.654 2.314 -5.323 1.00 0.00 C ATOM 346 CD1 LEU A 22 -16.162 2.321 -5.043 1.00 0.00 C ATOM 347 CD2 LEU A 22 -17.913 2.515 -6.805 1.00 0.00 C ATOM 0 H LEU A 22 -16.454 -0.461 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 22 -17.817 1.544 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -17.926 0.193 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -19.373 1.072 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 22 -18.105 3.138 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -15.731 3.259 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.993 2.220 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.690 1.489 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -17.451 3.446 -7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.488 1.682 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -18.987 2.561 -6.984 1.00 0.00 H new ATOM 359 N LEU A 23 -19.569 -1.229 -3.053 1.00 0.00 N ATOM 360 CA LEU A 23 -20.754 -1.920 -2.562 1.00 0.00 C ATOM 361 C LEU A 23 -20.703 -2.102 -1.053 1.00 0.00 C ATOM 362 O LEU A 23 -21.734 -2.203 -0.394 1.00 0.00 O ATOM 363 CB LEU A 23 -20.892 -3.284 -3.235 1.00 0.00 C ATOM 364 CG LEU A 23 -21.171 -3.245 -4.737 1.00 0.00 C ATOM 365 CD1 LEU A 23 -21.233 -4.652 -5.302 1.00 0.00 C ATOM 366 CD2 LEU A 23 -22.464 -2.497 -5.018 1.00 0.00 C ATOM 0 H LEU A 23 -18.950 -1.811 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.619 -1.304 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -19.975 -3.848 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.698 -3.832 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 23 -20.355 -2.715 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -21.432 -4.606 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -20.281 -5.155 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -22.030 -5.208 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -22.648 -2.479 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -23.291 -3.000 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.382 -1.476 -4.646 1.00 0.00 H new ATOM 378 N ASN A 24 -19.498 -2.133 -0.511 1.00 0.00 N ATOM 379 CA ASN A 24 -19.314 -2.337 0.916 1.00 0.00 C ATOM 380 C ASN A 24 -19.063 -1.017 1.635 1.00 0.00 C ATOM 381 O ASN A 24 -18.648 -0.990 2.793 1.00 0.00 O ATOM 382 CB ASN A 24 -18.180 -3.328 1.164 1.00 0.00 C ATOM 383 CG ASN A 24 -18.622 -4.761 0.927 1.00 0.00 C ATOM 384 OD1 ASN A 24 -19.076 -5.446 1.845 1.00 0.00 O ATOM 385 ND2 ASN A 24 -18.490 -5.226 -0.307 1.00 0.00 N ATOM 0 H ASN A 24 -18.632 -2.019 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 24 -20.233 -2.757 1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -17.342 -3.093 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.823 -3.223 2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.769 -6.183 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.110 -4.627 -1.040 1.00 0.00 H new ATOM 392 N GLY A 25 -19.304 0.077 0.926 1.00 0.00 N ATOM 393 CA GLY A 25 -19.276 1.388 1.542 1.00 0.00 C ATOM 394 C GLY A 25 -17.988 2.130 1.279 1.00 0.00 C ATOM 395 O GLY A 25 -17.890 3.331 1.528 1.00 0.00 O ATOM 0 H GLY A 25 -19.520 0.079 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.113 1.978 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -19.416 1.282 2.618 1.00 0.00 H new ATOM 399 N TYR A 26 -17.013 1.424 0.743 1.00 0.00 N ATOM 400 CA TYR A 26 -15.714 2.004 0.471 1.00 0.00 C ATOM 401 C TYR A 26 -15.732 2.723 -0.865 1.00 0.00 C ATOM 402 O TYR A 26 -15.174 2.249 -1.849 1.00 0.00 O ATOM 403 CB TYR A 26 -14.650 0.916 0.466 1.00 0.00 C ATOM 404 CG TYR A 26 -14.518 0.202 1.784 1.00 0.00 C ATOM 405 CD1 TYR A 26 -13.850 0.789 2.841 1.00 0.00 C ATOM 406 CD2 TYR A 26 -15.064 -1.061 1.968 1.00 0.00 C ATOM 407 CE1 TYR A 26 -13.725 0.146 4.051 1.00 0.00 C ATOM 408 CE2 TYR A 26 -14.944 -1.714 3.176 1.00 0.00 C ATOM 409 CZ TYR A 26 -14.274 -1.104 4.214 1.00 0.00 C ATOM 410 OH TYR A 26 -14.151 -1.742 5.423 1.00 0.00 O ATOM 0 H TYR A 26 -17.097 0.441 0.486 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.478 2.725 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.888 0.189 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.689 1.359 0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.418 1.771 2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -15.590 -1.538 1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.199 0.620 4.867 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -15.372 -2.697 3.308 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.150 -2.712 5.282 1.00 0.00 H new ATOM 420 N GLN A 27 -16.394 3.862 -0.888 1.00 0.00 N ATOM 421 CA GLN A 27 -16.542 4.632 -2.108 1.00 0.00 C ATOM 422 C GLN A 27 -15.577 5.798 -2.108 1.00 0.00 C ATOM 423 O GLN A 27 -15.445 6.519 -3.096 1.00 0.00 O ATOM 424 CB GLN A 27 -17.973 5.139 -2.228 1.00 0.00 C ATOM 425 CG GLN A 27 -19.006 4.038 -2.082 1.00 0.00 C ATOM 426 CD GLN A 27 -20.429 4.537 -2.207 1.00 0.00 C ATOM 427 OE1 GLN A 27 -20.734 5.680 -1.867 1.00 0.00 O ATOM 428 NE2 GLN A 27 -21.313 3.679 -2.689 1.00 0.00 N ATOM 0 H GLN A 27 -16.841 4.278 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.318 3.992 -2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -18.149 5.898 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.101 5.624 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.826 3.277 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.880 3.557 -1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -21.018 2.741 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -22.289 3.956 -2.791 1.00 0.00 H new ATOM 437 N THR A 28 -14.905 5.972 -0.986 1.00 0.00 N ATOM 438 CA THR A 28 -13.972 7.060 -0.817 1.00 0.00 C ATOM 439 C THR A 28 -12.665 6.544 -0.249 1.00 0.00 C ATOM 440 O THR A 28 -12.617 5.458 0.334 1.00 0.00 O ATOM 441 CB THR A 28 -14.542 8.130 0.132 1.00 0.00 C ATOM 442 OG1 THR A 28 -14.823 7.543 1.407 1.00 0.00 O ATOM 443 CG2 THR A 28 -15.813 8.741 -0.438 1.00 0.00 C ATOM 0 H THR A 28 -14.993 5.364 -0.172 1.00 0.00 H new ATOM 0 HA THR A 28 -13.799 7.507 -1.796 1.00 0.00 H new ATOM 0 HB THR A 28 -13.799 8.920 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.184 8.227 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.196 9.494 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.594 9.207 -1.399 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.562 7.961 -0.576 1.00 0.00 H new ATOM 451 N LEU A 29 -11.610 7.322 -0.412 1.00 0.00 N ATOM 452 CA LEU A 29 -10.327 6.994 0.180 1.00 0.00 C ATOM 453 C LEU A 29 -10.418 7.142 1.691 1.00 0.00 C ATOM 454 O LEU A 29 -9.710 6.475 2.445 1.00 0.00 O ATOM 455 CB LEU A 29 -9.241 7.909 -0.386 1.00 0.00 C ATOM 456 CG LEU A 29 -9.065 7.826 -1.901 1.00 0.00 C ATOM 457 CD1 LEU A 29 -8.025 8.826 -2.377 1.00 0.00 C ATOM 458 CD2 LEU A 29 -8.680 6.416 -2.308 1.00 0.00 C ATOM 0 H LEU A 29 -11.617 8.188 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.066 5.963 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.475 8.939 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.292 7.663 0.091 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.014 8.076 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.915 8.750 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.343 9.835 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.069 8.612 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.558 6.370 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.742 6.141 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.463 5.722 -2.002 1.00 0.00 H new ATOM 470 N GLU A 30 -11.324 8.014 2.114 1.00 0.00 N ATOM 471 CA GLU A 30 -11.591 8.247 3.521 1.00 0.00 C ATOM 472 C GLU A 30 -12.213 7.012 4.163 1.00 0.00 C ATOM 473 O GLU A 30 -12.010 6.747 5.345 1.00 0.00 O ATOM 474 CB GLU A 30 -12.522 9.449 3.671 1.00 0.00 C ATOM 475 CG GLU A 30 -12.693 9.923 5.104 1.00 0.00 C ATOM 476 CD GLU A 30 -11.374 10.248 5.773 1.00 0.00 C ATOM 477 OE1 GLU A 30 -10.508 10.873 5.125 1.00 0.00 O ATOM 478 OE2 GLU A 30 -11.198 9.884 6.952 1.00 0.00 O ATOM 0 H GLU A 30 -11.895 8.580 1.486 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.650 8.455 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.135 10.272 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.500 9.191 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.330 10.808 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.207 9.152 5.678 1.00 0.00 H new ATOM 485 N ASP A 31 -12.975 6.263 3.385 1.00 0.00 N ATOM 486 CA ASP A 31 -13.581 5.040 3.884 1.00 0.00 C ATOM 487 C ASP A 31 -12.613 3.877 3.712 1.00 0.00 C ATOM 488 O ASP A 31 -12.465 3.037 4.597 1.00 0.00 O ATOM 489 CB ASP A 31 -14.893 4.750 3.149 1.00 0.00 C ATOM 490 CG ASP A 31 -15.879 3.973 4.002 1.00 0.00 C ATOM 491 OD1 ASP A 31 -15.768 2.734 4.083 1.00 0.00 O ATOM 492 OD2 ASP A 31 -16.776 4.607 4.599 1.00 0.00 O ATOM 0 H ASP A 31 -13.188 6.478 2.411 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.803 5.166 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.348 5.691 2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.680 4.186 2.241 1.00 0.00 H new ATOM 497 N PHE A 32 -11.925 3.862 2.573 1.00 0.00 N ATOM 498 CA PHE A 32 -11.002 2.784 2.229 1.00 0.00 C ATOM 499 C PHE A 32 -9.831 2.702 3.204 1.00 0.00 C ATOM 500 O PHE A 32 -9.270 1.635 3.411 1.00 0.00 O ATOM 501 CB PHE A 32 -10.480 2.972 0.807 1.00 0.00 C ATOM 502 CG PHE A 32 -9.634 1.829 0.314 1.00 0.00 C ATOM 503 CD1 PHE A 32 -10.203 0.764 -0.366 1.00 0.00 C ATOM 504 CD2 PHE A 32 -8.270 1.821 0.534 1.00 0.00 C ATOM 505 CE1 PHE A 32 -9.424 -0.283 -0.817 1.00 0.00 C ATOM 506 CE2 PHE A 32 -7.486 0.778 0.088 1.00 0.00 C ATOM 507 CZ PHE A 32 -8.063 -0.275 -0.589 1.00 0.00 C ATOM 0 H PHE A 32 -11.991 4.594 1.865 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.556 1.847 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.327 3.102 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.894 3.890 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.268 0.753 -0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.811 2.643 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.879 -1.107 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.421 0.786 0.269 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.451 -1.092 -0.940 1.00 0.00 H new ATOM 517 N LYS A 33 -9.460 3.819 3.809 1.00 0.00 N ATOM 518 CA LYS A 33 -8.352 3.830 4.760 1.00 0.00 C ATOM 519 C LYS A 33 -8.691 3.035 6.024 1.00 0.00 C ATOM 520 O LYS A 33 -7.847 2.861 6.903 1.00 0.00 O ATOM 521 CB LYS A 33 -7.969 5.265 5.120 1.00 0.00 C ATOM 522 CG LYS A 33 -9.121 6.078 5.676 1.00 0.00 C ATOM 523 CD LYS A 33 -8.720 7.515 5.978 1.00 0.00 C ATOM 524 CE LYS A 33 -8.164 8.221 4.750 1.00 0.00 C ATOM 525 NZ LYS A 33 -8.062 9.690 4.957 1.00 0.00 N ATOM 0 H LYS A 33 -9.904 4.726 3.662 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.499 3.348 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.163 5.244 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.579 5.762 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.944 6.075 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.489 5.607 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.586 8.063 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.972 7.524 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.179 7.818 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.806 8.018 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.695 10.138 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.003 10.076 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.416 9.885 5.749 1.00 0.00 H new ATOM 539 N GLU A 34 -9.930 2.557 6.105 1.00 0.00 N ATOM 540 CA GLU A 34 -10.364 1.715 7.213 1.00 0.00 C ATOM 541 C GLU A 34 -10.483 0.263 6.759 1.00 0.00 C ATOM 542 O GLU A 34 -10.934 -0.605 7.507 1.00 0.00 O ATOM 543 CB GLU A 34 -11.712 2.188 7.744 1.00 0.00 C ATOM 544 CG GLU A 34 -11.758 3.663 8.087 1.00 0.00 C ATOM 545 CD GLU A 34 -13.027 4.037 8.820 1.00 0.00 C ATOM 546 OE1 GLU A 34 -13.027 3.996 10.071 1.00 0.00 O ATOM 547 OE2 GLU A 34 -14.033 4.361 8.153 1.00 0.00 O ATOM 0 H GLU A 34 -10.654 2.741 5.411 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.620 1.786 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.479 1.975 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.963 1.611 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.896 3.919 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.682 4.250 7.172 1.00 0.00 H new ATOM 554 N LEU A 35 -10.086 0.012 5.525 1.00 0.00 N ATOM 555 CA LEU A 35 -10.180 -1.310 4.933 1.00 0.00 C ATOM 556 C LEU A 35 -9.142 -2.247 5.549 1.00 0.00 C ATOM 557 O LEU A 35 -7.952 -1.939 5.580 1.00 0.00 O ATOM 558 CB LEU A 35 -9.998 -1.180 3.412 1.00 0.00 C ATOM 559 CG LEU A 35 -10.261 -2.424 2.567 1.00 0.00 C ATOM 560 CD1 LEU A 35 -9.081 -3.378 2.631 1.00 0.00 C ATOM 561 CD2 LEU A 35 -11.546 -3.103 3.011 1.00 0.00 C ATOM 0 H LEU A 35 -9.690 0.718 4.905 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.159 -1.744 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.658 -0.387 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.976 -0.852 3.221 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.382 -2.119 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.290 -4.257 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.189 -2.879 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.916 -3.684 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.720 -3.988 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.460 -3.396 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.381 -2.412 2.895 1.00 0.00 H new ATOM 573 N ARG A 36 -9.605 -3.386 6.052 1.00 0.00 N ATOM 574 CA ARG A 36 -8.722 -4.355 6.690 1.00 0.00 C ATOM 575 C ARG A 36 -8.929 -5.739 6.089 1.00 0.00 C ATOM 576 O ARG A 36 -9.887 -5.948 5.344 1.00 0.00 O ATOM 577 CB ARG A 36 -8.977 -4.409 8.199 1.00 0.00 C ATOM 578 CG ARG A 36 -8.973 -3.048 8.882 1.00 0.00 C ATOM 579 CD ARG A 36 -7.676 -2.294 8.642 1.00 0.00 C ATOM 580 NE ARG A 36 -7.722 -0.953 9.218 1.00 0.00 N ATOM 581 CZ ARG A 36 -7.224 0.134 8.631 1.00 0.00 C ATOM 582 NH1 ARG A 36 -6.581 0.044 7.472 1.00 0.00 N ATOM 583 NH2 ARG A 36 -7.368 1.316 9.212 1.00 0.00 N ATOM 0 H ARG A 36 -10.587 -3.661 6.030 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.693 -4.039 6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.939 -4.889 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.217 -5.038 8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.810 -2.455 8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.123 -3.180 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.845 -2.850 9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.487 -2.225 7.571 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.165 -0.841 10.130 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.465 -0.864 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.204 0.883 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.858 1.390 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.989 2.152 8.768 1.00 0.00 H new ATOM 597 N GLU A 37 -8.052 -6.679 6.420 1.00 0.00 N ATOM 598 CA GLU A 37 -8.143 -8.034 5.879 1.00 0.00 C ATOM 599 C GLU A 37 -9.457 -8.687 6.278 1.00 0.00 C ATOM 600 O GLU A 37 -10.156 -9.261 5.442 1.00 0.00 O ATOM 601 CB GLU A 37 -6.984 -8.899 6.362 1.00 0.00 C ATOM 602 CG GLU A 37 -6.975 -10.276 5.726 1.00 0.00 C ATOM 603 CD GLU A 37 -5.832 -11.144 6.206 1.00 0.00 C ATOM 604 OE1 GLU A 37 -4.819 -11.250 5.482 1.00 0.00 O ATOM 605 OE2 GLU A 37 -5.942 -11.736 7.299 1.00 0.00 O ATOM 0 H GLU A 37 -7.271 -6.531 7.059 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.095 -7.954 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.043 -8.395 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.042 -9.004 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.919 -10.776 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.912 -10.169 4.643 1.00 0.00 H new ATOM 612 N THR A 38 -9.794 -8.570 7.555 1.00 0.00 N ATOM 613 CA THR A 38 -11.016 -9.150 8.087 1.00 0.00 C ATOM 614 C THR A 38 -12.238 -8.626 7.334 1.00 0.00 C ATOM 615 O THR A 38 -13.274 -9.286 7.258 1.00 0.00 O ATOM 616 CB THR A 38 -11.159 -8.818 9.581 1.00 0.00 C ATOM 617 OG1 THR A 38 -9.925 -9.081 10.259 1.00 0.00 O ATOM 618 CG2 THR A 38 -12.274 -9.629 10.218 1.00 0.00 C ATOM 0 H THR A 38 -9.231 -8.074 8.246 1.00 0.00 H new ATOM 0 HA THR A 38 -10.957 -10.231 7.959 1.00 0.00 H new ATOM 0 HB THR A 38 -11.409 -7.761 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.022 -8.866 11.210 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.352 -9.373 11.275 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.217 -9.405 9.720 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.054 -10.692 10.117 1.00 0.00 H new ATOM 626 N HIS A 39 -12.093 -7.442 6.757 1.00 0.00 N ATOM 627 CA HIS A 39 -13.163 -6.840 5.981 1.00 0.00 C ATOM 628 C HIS A 39 -13.244 -7.517 4.626 1.00 0.00 C ATOM 629 O HIS A 39 -14.320 -7.845 4.156 1.00 0.00 O ATOM 630 CB HIS A 39 -12.938 -5.335 5.814 1.00 0.00 C ATOM 631 CG HIS A 39 -12.950 -4.575 7.107 1.00 0.00 C ATOM 632 ND1 HIS A 39 -12.828 -3.206 7.176 1.00 0.00 N ATOM 633 CD2 HIS A 39 -13.030 -5.005 8.388 1.00 0.00 C ATOM 634 CE1 HIS A 39 -12.823 -2.829 8.438 1.00 0.00 C ATOM 635 NE2 HIS A 39 -12.946 -3.899 9.194 1.00 0.00 N ATOM 0 H HIS A 39 -11.244 -6.880 6.813 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.105 -6.979 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.982 -5.173 5.317 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -13.710 -4.932 5.159 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -12.753 -2.580 6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -13.140 -6.029 8.714 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.733 -1.813 8.793 1.00 0.00 H new ATOM 644 N LEU A 40 -12.090 -7.762 4.024 1.00 0.00 N ATOM 645 CA LEU A 40 -12.019 -8.451 2.738 1.00 0.00 C ATOM 646 C LEU A 40 -12.595 -9.853 2.838 1.00 0.00 C ATOM 647 O LEU A 40 -13.138 -10.379 1.867 1.00 0.00 O ATOM 648 CB LEU A 40 -10.580 -8.498 2.243 1.00 0.00 C ATOM 649 CG LEU A 40 -10.195 -7.389 1.265 1.00 0.00 C ATOM 650 CD1 LEU A 40 -10.819 -6.071 1.660 1.00 0.00 C ATOM 651 CD2 LEU A 40 -8.690 -7.259 1.195 1.00 0.00 C ATOM 0 H LEU A 40 -11.183 -7.493 4.406 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.618 -7.893 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.914 -8.449 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.409 -9.461 1.762 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.576 -7.657 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.527 -5.301 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.905 -6.169 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.476 -5.790 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.425 -6.466 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.299 -7.016 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.259 -8.201 0.856 1.00 0.00 H new ATOM 663 N ASN A 41 -12.474 -10.446 4.016 1.00 0.00 N ATOM 664 CA ASN A 41 -13.139 -11.709 4.315 1.00 0.00 C ATOM 665 C ASN A 41 -14.637 -11.582 4.063 1.00 0.00 C ATOM 666 O ASN A 41 -15.277 -12.496 3.547 1.00 0.00 O ATOM 667 CB ASN A 41 -12.899 -12.109 5.772 1.00 0.00 C ATOM 668 CG ASN A 41 -11.495 -12.620 6.035 1.00 0.00 C ATOM 669 OD1 ASN A 41 -10.543 -12.269 5.340 1.00 0.00 O ATOM 670 ND2 ASN A 41 -11.357 -13.451 7.055 1.00 0.00 N ATOM 0 H ASN A 41 -11.919 -10.072 4.785 1.00 0.00 H new ATOM 0 HA ASN A 41 -12.725 -12.479 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.090 -11.248 6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.616 -12.880 6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.437 -13.824 7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.171 -13.719 7.608 1.00 0.00 H new ATOM 677 N GLU A 42 -15.176 -10.423 4.413 1.00 0.00 N ATOM 678 CA GLU A 42 -16.590 -10.136 4.241 1.00 0.00 C ATOM 679 C GLU A 42 -16.890 -9.757 2.795 1.00 0.00 C ATOM 680 O GLU A 42 -17.940 -10.103 2.252 1.00 0.00 O ATOM 681 CB GLU A 42 -16.998 -9.000 5.174 1.00 0.00 C ATOM 682 CG GLU A 42 -16.728 -9.293 6.637 1.00 0.00 C ATOM 683 CD GLU A 42 -17.458 -10.526 7.129 1.00 0.00 C ATOM 684 OE1 GLU A 42 -18.638 -10.413 7.511 1.00 0.00 O ATOM 685 OE2 GLU A 42 -16.850 -11.615 7.149 1.00 0.00 O ATOM 0 H GLU A 42 -14.644 -9.656 4.824 1.00 0.00 H new ATOM 0 HA GLU A 42 -17.162 -11.031 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.462 -8.095 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -18.061 -8.796 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.656 -9.427 6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -17.028 -8.434 7.237 1.00 0.00 H new ATOM 692 N LEU A 43 -15.948 -9.054 2.176 1.00 0.00 N ATOM 693 CA LEU A 43 -16.089 -8.606 0.793 1.00 0.00 C ATOM 694 C LEU A 43 -15.855 -9.749 -0.193 1.00 0.00 C ATOM 695 O LEU A 43 -15.958 -9.556 -1.404 1.00 0.00 O ATOM 696 CB LEU A 43 -15.109 -7.466 0.496 1.00 0.00 C ATOM 697 CG LEU A 43 -15.551 -6.062 0.925 1.00 0.00 C ATOM 698 CD1 LEU A 43 -15.631 -5.935 2.432 1.00 0.00 C ATOM 699 CD2 LEU A 43 -14.609 -5.016 0.363 1.00 0.00 C ATOM 0 H LEU A 43 -15.069 -8.779 2.615 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.111 -8.248 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.162 -7.692 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.916 -7.451 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.551 -5.897 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.947 -4.926 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.352 -6.654 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.651 -6.133 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.937 -4.025 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.600 -5.199 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.612 -5.071 -0.726 1.00 0.00 H new ATOM 711 N ASN A 44 -15.524 -10.923 0.344 1.00 0.00 N ATOM 712 CA ASN A 44 -15.299 -12.137 -0.451 1.00 0.00 C ATOM 713 C ASN A 44 -13.989 -12.017 -1.234 1.00 0.00 C ATOM 714 O ASN A 44 -13.738 -12.744 -2.194 1.00 0.00 O ATOM 715 CB ASN A 44 -16.490 -12.394 -1.391 1.00 0.00 C ATOM 716 CG ASN A 44 -16.672 -13.856 -1.796 1.00 0.00 C ATOM 717 OD1 ASN A 44 -17.801 -14.329 -1.926 1.00 0.00 O ATOM 718 ND2 ASN A 44 -15.588 -14.569 -2.038 1.00 0.00 N ATOM 0 H ASN A 44 -15.403 -11.063 1.347 1.00 0.00 H new ATOM 0 HA ASN A 44 -15.216 -12.991 0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -17.402 -12.048 -0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -16.362 -11.794 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -15.673 -15.539 -2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -14.665 -14.150 -1.922 1.00 0.00 H new ATOM 725 N ILE A 45 -13.139 -11.109 -0.799 1.00 0.00 N ATOM 726 CA ILE A 45 -11.842 -10.920 -1.422 1.00 0.00 C ATOM 727 C ILE A 45 -10.812 -11.784 -0.716 1.00 0.00 C ATOM 728 O ILE A 45 -10.041 -11.311 0.113 1.00 0.00 O ATOM 729 CB ILE A 45 -11.397 -9.448 -1.391 1.00 0.00 C ATOM 730 CG1 ILE A 45 -12.478 -8.559 -2.007 1.00 0.00 C ATOM 731 CG2 ILE A 45 -10.074 -9.276 -2.132 1.00 0.00 C ATOM 732 CD1 ILE A 45 -12.171 -7.081 -1.928 1.00 0.00 C ATOM 0 H ILE A 45 -13.323 -10.487 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.927 -11.215 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.249 -9.148 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.612 -8.837 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.425 -8.751 -1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.773 -8.229 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.308 -9.888 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.195 -9.588 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.983 -6.516 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.067 -6.786 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.241 -6.874 -2.458 1.00 0.00 H new ATOM 744 N MET A 46 -10.839 -13.065 -1.025 1.00 0.00 N ATOM 745 CA MET A 46 -9.946 -14.021 -0.392 1.00 0.00 C ATOM 746 C MET A 46 -8.590 -14.012 -1.076 1.00 0.00 C ATOM 747 O MET A 46 -7.626 -14.583 -0.568 1.00 0.00 O ATOM 748 CB MET A 46 -10.555 -15.420 -0.440 1.00 0.00 C ATOM 749 CG MET A 46 -11.926 -15.520 0.217 1.00 0.00 C ATOM 750 SD MET A 46 -11.863 -15.858 1.994 1.00 0.00 S ATOM 751 CE MET A 46 -11.123 -14.360 2.641 1.00 0.00 C ATOM 0 H MET A 46 -11.472 -13.472 -1.714 1.00 0.00 H new ATOM 0 HA MET A 46 -9.809 -13.734 0.651 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.638 -15.734 -1.481 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.876 -16.118 0.050 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.466 -14.587 0.053 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.497 -16.309 -0.273 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.418 -14.229 3.682 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.037 -14.434 2.578 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.463 -13.505 2.057 1.00 0.00 H new ATOM 761 N ASP A 47 -8.541 -13.332 -2.220 1.00 0.00 N ATOM 762 CA ASP A 47 -7.324 -13.171 -3.013 1.00 0.00 C ATOM 763 C ASP A 47 -6.186 -12.654 -2.139 1.00 0.00 C ATOM 764 O ASP A 47 -6.154 -11.480 -1.788 1.00 0.00 O ATOM 765 CB ASP A 47 -7.573 -12.156 -4.129 1.00 0.00 C ATOM 766 CG ASP A 47 -8.742 -12.490 -5.032 1.00 0.00 C ATOM 767 OD1 ASP A 47 -8.925 -13.674 -5.379 1.00 0.00 O ATOM 768 OD2 ASP A 47 -9.479 -11.550 -5.411 1.00 0.00 O ATOM 0 H ASP A 47 -9.355 -12.872 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.053 -14.140 -3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.744 -11.177 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.672 -12.075 -4.737 1.00 0.00 H new ATOM 773 N PRO A 48 -5.225 -13.529 -1.802 1.00 0.00 N ATOM 774 CA PRO A 48 -4.172 -13.241 -0.817 1.00 0.00 C ATOM 775 C PRO A 48 -3.297 -12.045 -1.176 1.00 0.00 C ATOM 776 O PRO A 48 -3.064 -11.173 -0.340 1.00 0.00 O ATOM 777 CB PRO A 48 -3.331 -14.519 -0.795 1.00 0.00 C ATOM 778 CG PRO A 48 -4.215 -15.572 -1.354 1.00 0.00 C ATOM 779 CD PRO A 48 -5.090 -14.885 -2.355 1.00 0.00 C ATOM 0 HA PRO A 48 -4.612 -12.975 0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.426 -14.406 -1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.015 -14.766 0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.631 -16.363 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.811 -16.039 -0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.637 -14.873 -3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.057 -15.379 -2.452 1.00 0.00 H new ATOM 787 N GLN A 49 -2.798 -12.008 -2.403 1.00 0.00 N ATOM 788 CA GLN A 49 -1.957 -10.902 -2.837 1.00 0.00 C ATOM 789 C GLN A 49 -2.784 -9.640 -2.979 1.00 0.00 C ATOM 790 O GLN A 49 -2.336 -8.549 -2.649 1.00 0.00 O ATOM 791 CB GLN A 49 -1.262 -11.219 -4.160 1.00 0.00 C ATOM 792 CG GLN A 49 -0.099 -12.186 -4.022 1.00 0.00 C ATOM 793 CD GLN A 49 0.577 -12.474 -5.348 1.00 0.00 C ATOM 794 OE1 GLN A 49 0.205 -13.405 -6.061 1.00 0.00 O ATOM 795 NE2 GLN A 49 1.582 -11.683 -5.681 1.00 0.00 N ATOM 0 H GLN A 49 -2.959 -12.725 -3.111 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.190 -10.748 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.992 -11.639 -4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.901 -10.291 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.632 -11.773 -3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.457 -13.120 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.859 -10.922 -5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.081 -11.834 -6.558 1.00 0.00 H new ATOM 804 N HIS A 50 -4.008 -9.804 -3.445 1.00 0.00 N ATOM 805 CA HIS A 50 -4.901 -8.672 -3.647 1.00 0.00 C ATOM 806 C HIS A 50 -5.269 -8.071 -2.302 1.00 0.00 C ATOM 807 O HIS A 50 -5.339 -6.854 -2.152 1.00 0.00 O ATOM 808 CB HIS A 50 -6.157 -9.106 -4.402 1.00 0.00 C ATOM 809 CG HIS A 50 -5.880 -9.666 -5.770 1.00 0.00 C ATOM 810 ND1 HIS A 50 -6.864 -9.927 -6.701 1.00 0.00 N ATOM 811 CD2 HIS A 50 -4.713 -10.014 -6.361 1.00 0.00 C ATOM 812 CE1 HIS A 50 -6.311 -10.408 -7.797 1.00 0.00 C ATOM 813 NE2 HIS A 50 -5.009 -10.471 -7.616 1.00 0.00 N ATOM 0 H HIS A 50 -4.409 -10.709 -3.692 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.391 -7.919 -4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.683 -9.857 -3.812 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.825 -8.250 -4.498 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.863 -9.772 -6.563 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.729 -9.944 -5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.838 -10.701 -8.693 1.00 0.00 H new ATOM 822 N ARG A 51 -5.496 -8.948 -1.331 1.00 0.00 N ATOM 823 CA ARG A 51 -5.676 -8.548 0.058 1.00 0.00 C ATOM 824 C ARG A 51 -4.488 -7.736 0.521 1.00 0.00 C ATOM 825 O ARG A 51 -4.638 -6.629 1.028 1.00 0.00 O ATOM 826 CB ARG A 51 -5.812 -9.782 0.950 1.00 0.00 C ATOM 827 CG ARG A 51 -7.176 -10.439 0.894 1.00 0.00 C ATOM 828 CD ARG A 51 -7.098 -11.910 1.258 1.00 0.00 C ATOM 829 NE ARG A 51 -6.357 -12.150 2.494 1.00 0.00 N ATOM 830 CZ ARG A 51 -5.928 -13.353 2.873 1.00 0.00 C ATOM 831 NH1 ARG A 51 -6.184 -14.418 2.120 1.00 0.00 N ATOM 832 NH2 ARG A 51 -5.245 -13.491 4.000 1.00 0.00 N ATOM 0 H ARG A 51 -5.560 -9.954 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.582 -7.946 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.057 -10.512 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.600 -9.497 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.855 -9.929 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.592 -10.332 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.108 -12.308 1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.623 -12.456 0.443 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.157 -11.354 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.709 -14.314 1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.855 -15.339 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.047 -12.675 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.918 -14.413 4.288 1.00 0.00 H new ATOM 846 N ALA A 52 -3.310 -8.304 0.320 1.00 0.00 N ATOM 847 CA ALA A 52 -2.067 -7.685 0.725 1.00 0.00 C ATOM 848 C ALA A 52 -1.954 -6.264 0.174 1.00 0.00 C ATOM 849 O ALA A 52 -1.550 -5.345 0.886 1.00 0.00 O ATOM 850 CB ALA A 52 -0.912 -8.549 0.260 1.00 0.00 C ATOM 0 H ALA A 52 -3.193 -9.211 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.040 -7.607 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.030 -8.090 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.994 -9.538 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.940 -8.641 -0.826 1.00 0.00 H new ATOM 856 N LYS A 53 -2.336 -6.088 -1.085 1.00 0.00 N ATOM 857 CA LYS A 53 -2.300 -4.774 -1.716 1.00 0.00 C ATOM 858 C LYS A 53 -3.343 -3.843 -1.109 1.00 0.00 C ATOM 859 O LYS A 53 -3.016 -2.749 -0.654 1.00 0.00 O ATOM 860 CB LYS A 53 -2.520 -4.888 -3.226 1.00 0.00 C ATOM 861 CG LYS A 53 -1.574 -5.869 -3.893 1.00 0.00 C ATOM 862 CD LYS A 53 -1.425 -5.624 -5.385 1.00 0.00 C ATOM 863 CE LYS A 53 -0.399 -4.539 -5.667 1.00 0.00 C ATOM 864 NZ LYS A 53 -0.149 -4.380 -7.122 1.00 0.00 N ATOM 0 H LYS A 53 -2.674 -6.837 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.312 -4.351 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.548 -5.198 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.395 -3.905 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.595 -5.801 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.937 -6.884 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.125 -6.548 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.388 -5.335 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.748 -3.593 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.536 -4.783 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.778 -3.932 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.158 -5.314 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.891 -3.783 -7.539 1.00 0.00 H new ATOM 878 N LEU A 54 -4.591 -4.293 -1.092 1.00 0.00 N ATOM 879 CA LEU A 54 -5.699 -3.499 -0.567 1.00 0.00 C ATOM 880 C LEU A 54 -5.425 -3.043 0.863 1.00 0.00 C ATOM 881 O LEU A 54 -5.676 -1.890 1.220 1.00 0.00 O ATOM 882 CB LEU A 54 -6.989 -4.314 -0.616 1.00 0.00 C ATOM 883 CG LEU A 54 -7.495 -4.640 -2.021 1.00 0.00 C ATOM 884 CD1 LEU A 54 -8.610 -5.667 -1.964 1.00 0.00 C ATOM 885 CD2 LEU A 54 -7.977 -3.380 -2.715 1.00 0.00 C ATOM 0 H LEU A 54 -4.865 -5.212 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.805 -2.611 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.831 -5.248 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.767 -3.767 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.668 -5.060 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.956 -5.885 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.239 -6.582 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.438 -5.273 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.334 -3.629 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.789 -2.936 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.154 -2.669 -2.790 1.00 0.00 H new ATOM 897 N LEU A 55 -4.897 -3.952 1.669 1.00 0.00 N ATOM 898 CA LEU A 55 -4.568 -3.657 3.056 1.00 0.00 C ATOM 899 C LEU A 55 -3.493 -2.587 3.131 1.00 0.00 C ATOM 900 O LEU A 55 -3.635 -1.612 3.855 1.00 0.00 O ATOM 901 CB LEU A 55 -4.096 -4.923 3.777 1.00 0.00 C ATOM 902 CG LEU A 55 -5.195 -5.869 4.286 1.00 0.00 C ATOM 903 CD1 LEU A 55 -6.508 -5.658 3.554 1.00 0.00 C ATOM 904 CD2 LEU A 55 -4.745 -7.312 4.139 1.00 0.00 C ATOM 0 H LEU A 55 -4.686 -4.908 1.383 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.467 -3.287 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.451 -5.482 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.482 -4.624 4.627 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.364 -5.643 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.257 -6.347 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.846 -4.632 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.365 -5.843 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.529 -7.976 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.545 -7.526 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.837 -7.471 4.721 1.00 0.00 H new ATOM 916 N THR A 56 -2.435 -2.769 2.353 1.00 0.00 N ATOM 917 CA THR A 56 -1.322 -1.828 2.336 1.00 0.00 C ATOM 918 C THR A 56 -1.780 -0.450 1.888 1.00 0.00 C ATOM 919 O THR A 56 -1.356 0.570 2.438 1.00 0.00 O ATOM 920 CB THR A 56 -0.216 -2.316 1.395 1.00 0.00 C ATOM 921 OG1 THR A 56 0.181 -3.627 1.779 1.00 0.00 O ATOM 922 CG2 THR A 56 0.985 -1.391 1.432 1.00 0.00 C ATOM 0 H THR A 56 -2.323 -3.563 1.723 1.00 0.00 H new ATOM 0 HA THR A 56 -0.934 -1.763 3.352 1.00 0.00 H new ATOM 0 HB THR A 56 -0.607 -2.324 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.387 -4.286 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.753 -1.764 0.754 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.683 -0.390 1.123 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.384 -1.353 2.446 1.00 0.00 H new ATOM 930 N ALA A 57 -2.644 -0.431 0.885 1.00 0.00 N ATOM 931 CA ALA A 57 -3.212 0.806 0.405 1.00 0.00 C ATOM 932 C ALA A 57 -3.954 1.506 1.532 1.00 0.00 C ATOM 933 O ALA A 57 -3.744 2.689 1.784 1.00 0.00 O ATOM 934 CB ALA A 57 -4.132 0.544 -0.775 1.00 0.00 C ATOM 0 H ALA A 57 -2.964 -1.264 0.391 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.409 1.459 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.552 1.487 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.566 0.077 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.939 -0.121 -0.467 1.00 0.00 H new ATOM 940 N ALA A 58 -4.787 0.755 2.235 1.00 0.00 N ATOM 941 CA ALA A 58 -5.537 1.288 3.361 1.00 0.00 C ATOM 942 C ALA A 58 -4.610 1.746 4.483 1.00 0.00 C ATOM 943 O ALA A 58 -4.844 2.782 5.107 1.00 0.00 O ATOM 944 CB ALA A 58 -6.509 0.246 3.875 1.00 0.00 C ATOM 0 H ALA A 58 -4.961 -0.232 2.044 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.093 2.159 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.067 0.653 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.202 -0.028 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.958 -0.638 4.197 1.00 0.00 H new ATOM 950 N GLU A 59 -3.564 0.964 4.731 1.00 0.00 N ATOM 951 CA GLU A 59 -2.560 1.300 5.737 1.00 0.00 C ATOM 952 C GLU A 59 -1.961 2.668 5.448 1.00 0.00 C ATOM 953 O GLU A 59 -1.982 3.568 6.291 1.00 0.00 O ATOM 954 CB GLU A 59 -1.443 0.251 5.751 1.00 0.00 C ATOM 955 CG GLU A 59 -1.883 -1.123 6.225 1.00 0.00 C ATOM 956 CD GLU A 59 -2.386 -1.118 7.653 1.00 0.00 C ATOM 957 OE1 GLU A 59 -1.553 -1.035 8.576 1.00 0.00 O ATOM 958 OE2 GLU A 59 -3.612 -1.211 7.860 1.00 0.00 O ATOM 0 H GLU A 59 -3.388 0.085 4.244 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.048 1.317 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.032 0.161 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.637 0.604 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.670 -1.494 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.046 -1.816 6.142 1.00 0.00 H new ATOM 965 N LEU A 60 -1.439 2.821 4.239 1.00 0.00 N ATOM 966 CA LEU A 60 -0.807 4.064 3.841 1.00 0.00 C ATOM 967 C LEU A 60 -1.811 5.203 3.770 1.00 0.00 C ATOM 968 O LEU A 60 -1.548 6.271 4.285 1.00 0.00 O ATOM 969 CB LEU A 60 -0.086 3.911 2.504 1.00 0.00 C ATOM 970 CG LEU A 60 1.393 3.543 2.601 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.587 2.239 3.354 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.995 3.459 1.214 1.00 0.00 C ATOM 0 H LEU A 60 -1.442 2.098 3.519 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.070 4.310 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.597 3.146 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.176 4.847 1.952 1.00 0.00 H new ATOM 0 HG LEU A 60 1.907 4.324 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.650 2.004 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.187 2.339 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.063 1.437 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.050 3.196 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.472 2.697 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.897 4.423 0.716 1.00 0.00 H new ATOM 984 N LEU A 61 -2.966 4.968 3.160 1.00 0.00 N ATOM 985 CA LEU A 61 -3.975 6.020 2.993 1.00 0.00 C ATOM 986 C LEU A 61 -4.447 6.587 4.329 1.00 0.00 C ATOM 987 O LEU A 61 -4.989 7.689 4.383 1.00 0.00 O ATOM 988 CB LEU A 61 -5.176 5.487 2.217 1.00 0.00 C ATOM 989 CG LEU A 61 -4.927 5.221 0.737 1.00 0.00 C ATOM 990 CD1 LEU A 61 -6.131 4.543 0.123 1.00 0.00 C ATOM 991 CD2 LEU A 61 -4.611 6.513 0.003 1.00 0.00 C ATOM 0 H LEU A 61 -3.232 4.063 2.772 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.500 6.827 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.509 4.561 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.994 6.202 2.309 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.065 4.560 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.944 4.357 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.314 3.596 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.004 5.186 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.437 6.299 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.451 7.201 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.718 6.967 0.433 1.00 0.00 H new ATOM 1003 N LEU A 62 -4.254 5.834 5.397 1.00 0.00 N ATOM 1004 CA LEU A 62 -4.648 6.282 6.721 1.00 0.00 C ATOM 1005 C LEU A 62 -3.675 7.338 7.249 1.00 0.00 C ATOM 1006 O LEU A 62 -4.042 8.191 8.059 1.00 0.00 O ATOM 1007 CB LEU A 62 -4.719 5.086 7.671 1.00 0.00 C ATOM 1008 CG LEU A 62 -5.307 5.377 9.052 1.00 0.00 C ATOM 1009 CD1 LEU A 62 -6.716 5.938 8.930 1.00 0.00 C ATOM 1010 CD2 LEU A 62 -5.310 4.114 9.895 1.00 0.00 C ATOM 0 H LEU A 62 -3.826 4.908 5.373 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.635 6.741 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.314 4.304 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.713 4.687 7.800 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.685 6.125 9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.115 6.138 9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.690 6.864 8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.353 5.214 8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.731 4.333 10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.913 3.350 9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.289 3.751 10.011 1.00 0.00 H new ATOM 1022 N ASP A 63 -2.434 7.276 6.785 1.00 0.00 N ATOM 1023 CA ASP A 63 -1.410 8.229 7.209 1.00 0.00 C ATOM 1024 C ASP A 63 -1.024 9.184 6.085 1.00 0.00 C ATOM 1025 O ASP A 63 -0.703 10.349 6.325 1.00 0.00 O ATOM 1026 CB ASP A 63 -0.160 7.495 7.693 1.00 0.00 C ATOM 1027 CG ASP A 63 -0.347 6.854 9.051 1.00 0.00 C ATOM 1028 OD1 ASP A 63 -0.433 7.593 10.053 1.00 0.00 O ATOM 1029 OD2 ASP A 63 -0.393 5.614 9.127 1.00 0.00 O ATOM 0 H ASP A 63 -2.110 6.578 6.116 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.836 8.811 8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.109 6.727 6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.673 8.196 7.739 1.00 0.00 H new ATOM 1034 N TYR A 64 -1.058 8.678 4.868 1.00 0.00 N ATOM 1035 CA TYR A 64 -0.583 9.399 3.699 1.00 0.00 C ATOM 1036 C TYR A 64 -1.744 9.887 2.843 1.00 0.00 C ATOM 1037 O TYR A 64 -1.691 9.827 1.621 1.00 0.00 O ATOM 1038 CB TYR A 64 0.311 8.485 2.860 1.00 0.00 C ATOM 1039 CG TYR A 64 1.575 8.047 3.554 1.00 0.00 C ATOM 1040 CD1 TYR A 64 2.723 8.823 3.497 1.00 0.00 C ATOM 1041 CD2 TYR A 64 1.622 6.858 4.266 1.00 0.00 C ATOM 1042 CE1 TYR A 64 3.883 8.428 4.126 1.00 0.00 C ATOM 1043 CE2 TYR A 64 2.776 6.453 4.899 1.00 0.00 C ATOM 1044 CZ TYR A 64 3.905 7.242 4.827 1.00 0.00 C ATOM 1045 OH TYR A 64 5.059 6.838 5.452 1.00 0.00 O ATOM 0 H TYR A 64 -1.419 7.747 4.659 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.018 10.265 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.259 7.600 2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.577 9.003 1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.707 9.754 2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.739 6.239 4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.769 9.043 4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.797 5.523 5.448 1.00 0.00 H new ATOM 0 HH TYR A 64 5.277 7.465 6.173 1.00 0.00 H new ATOM 1055 N ASP A 65 -2.782 10.391 3.482 1.00 0.00 N ATOM 1056 CA ASP A 65 -3.972 10.853 2.771 1.00 0.00 C ATOM 1057 C ASP A 65 -3.773 12.260 2.200 1.00 0.00 C ATOM 1058 O ASP A 65 -4.692 13.081 2.202 1.00 0.00 O ATOM 1059 CB ASP A 65 -5.180 10.830 3.706 1.00 0.00 C ATOM 1060 CG ASP A 65 -5.039 11.790 4.871 1.00 0.00 C ATOM 1061 OD1 ASP A 65 -4.069 11.652 5.648 1.00 0.00 O ATOM 1062 OD2 ASP A 65 -5.904 12.673 5.022 1.00 0.00 O ATOM 0 H ASP A 65 -2.831 10.494 4.496 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.149 10.176 1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.077 11.082 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.318 9.819 4.089 1.00 0.00 H new ATOM 1067 N THR A 66 -2.569 12.509 1.685 1.00 0.00 N ATOM 1068 CA THR A 66 -2.178 13.807 1.131 1.00 0.00 C ATOM 1069 C THR A 66 -2.539 14.968 2.060 1.00 0.00 C ATOM 1070 O THR A 66 -2.875 16.059 1.608 1.00 0.00 O ATOM 1071 CB THR A 66 -2.776 14.051 -0.276 1.00 0.00 C ATOM 1072 OG1 THR A 66 -4.158 13.670 -0.320 1.00 0.00 O ATOM 1073 CG2 THR A 66 -1.996 13.286 -1.332 1.00 0.00 C ATOM 0 H THR A 66 -1.829 11.808 1.640 1.00 0.00 H new ATOM 0 HA THR A 66 -1.093 13.770 1.037 1.00 0.00 H new ATOM 0 HB THR A 66 -2.702 15.118 -0.487 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.557 13.782 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.433 13.472 -2.313 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.958 13.618 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.037 12.219 -1.113 1.00 0.00 H new ATOM 1081 N GLY A 67 -2.432 14.733 3.359 1.00 0.00 N ATOM 1082 CA GLY A 67 -2.758 15.759 4.329 1.00 0.00 C ATOM 1083 C GLY A 67 -1.539 16.542 4.759 1.00 0.00 C ATOM 1084 O GLY A 67 -1.482 17.052 5.880 1.00 0.00 O ATOM 0 H GLY A 67 -2.124 13.847 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.494 16.440 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.219 15.298 5.203 1.00 0.00 H new ATOM 1088 N CYS A 68 -0.568 16.634 3.850 1.00 0.00 N ATOM 1089 CA CYS A 68 0.701 17.320 4.098 1.00 0.00 C ATOM 1090 C CYS A 68 1.536 16.590 5.152 1.00 0.00 C ATOM 1091 O CYS A 68 1.024 15.774 5.920 1.00 0.00 O ATOM 1092 CB CYS A 68 0.455 18.771 4.517 1.00 0.00 C ATOM 1093 SG CYS A 68 -0.493 19.740 3.299 1.00 0.00 S ATOM 0 H CYS A 68 -0.640 16.232 2.915 1.00 0.00 H new ATOM 0 HA CYS A 68 1.267 17.317 3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.078 18.779 5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.415 19.258 4.686 1.00 0.00 H new ATOM 1098 N GLU A 69 2.832 16.853 5.151 1.00 0.00 N ATOM 1099 CA GLU A 69 3.725 16.262 6.132 1.00 0.00 C ATOM 1100 C GLU A 69 3.938 17.217 7.305 1.00 0.00 C ATOM 1101 O GLU A 69 4.848 18.070 7.235 1.00 0.00 O ATOM 1102 CB GLU A 69 5.062 15.873 5.484 1.00 0.00 C ATOM 1103 CG GLU A 69 5.659 16.946 4.584 1.00 0.00 C ATOM 1104 CD GLU A 69 7.072 16.622 4.147 1.00 0.00 C ATOM 1105 OE1 GLU A 69 8.017 16.956 4.892 1.00 0.00 O ATOM 1106 OE2 GLU A 69 7.249 16.039 3.056 1.00 0.00 O ATOM 1107 OXT GLU A 69 3.179 17.124 8.290 1.00 0.00 O ATOM 0 H GLU A 69 3.289 17.472 4.481 1.00 0.00 H new ATOM 0 HA GLU A 69 3.264 15.352 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.778 15.636 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.918 14.964 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.029 17.067 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.656 17.900 5.111 1.00 0.00 H new TER 1114 GLU A 69 ATOM 1115 N GLY B 1 2.356 8.367 12.184 1.00 0.00 N ATOM 1116 CA GLY B 1 2.584 7.784 10.841 1.00 0.00 C ATOM 1117 C GLY B 1 4.058 7.648 10.526 1.00 0.00 C ATOM 1118 O GLY B 1 4.887 8.270 11.190 1.00 0.00 O ATOM 0 H1 GLY B 1 1.909 7.657 12.799 1.00 0.00 H new ATOM 0 H2 GLY B 1 3.266 8.658 12.595 1.00 0.00 H new ATOM 0 H3 GLY B 1 1.733 9.195 12.102 1.00 0.00 H new ATOM 0 HA2 GLY B 1 2.109 6.804 10.785 1.00 0.00 H new ATOM 0 HA3 GLY B 1 2.108 8.412 10.087 1.00 0.00 H new ATOM 1124 N PRO B 2 4.416 6.843 9.513 1.00 0.00 N ATOM 1125 CA PRO B 2 5.809 6.606 9.144 1.00 0.00 C ATOM 1126 C PRO B 2 6.446 7.813 8.477 1.00 0.00 C ATOM 1127 O PRO B 2 5.948 8.320 7.473 1.00 0.00 O ATOM 1128 CB PRO B 2 5.743 5.438 8.153 1.00 0.00 C ATOM 1129 CG PRO B 2 4.340 4.937 8.211 1.00 0.00 C ATOM 1130 CD PRO B 2 3.500 6.099 8.643 1.00 0.00 C ATOM 0 HA PRO B 2 6.419 6.400 10.024 1.00 0.00 H new ATOM 0 HB2 PRO B 2 6.001 5.765 7.145 1.00 0.00 H new ATOM 0 HB3 PRO B 2 6.450 4.654 8.424 1.00 0.00 H new ATOM 0 HG2 PRO B 2 4.019 4.565 7.238 1.00 0.00 H new ATOM 0 HG3 PRO B 2 4.251 4.109 8.914 1.00 0.00 H new ATOM 0 HD2 PRO B 2 3.168 6.698 7.795 1.00 0.00 H new ATOM 0 HD3 PRO B 2 2.605 5.778 9.176 1.00 0.00 H new ATOM 1138 N LYS B 3 7.540 8.274 9.047 1.00 0.00 N ATOM 1139 CA LYS B 3 8.296 9.366 8.464 1.00 0.00 C ATOM 1140 C LYS B 3 9.514 8.826 7.737 1.00 0.00 C ATOM 1141 O LYS B 3 10.145 9.530 6.949 1.00 0.00 O ATOM 1142 CB LYS B 3 8.730 10.347 9.550 1.00 0.00 C ATOM 1143 CG LYS B 3 7.572 10.897 10.367 1.00 0.00 C ATOM 1144 CD LYS B 3 6.632 11.747 9.524 1.00 0.00 C ATOM 1145 CE LYS B 3 7.300 13.031 9.056 1.00 0.00 C ATOM 1146 NZ LYS B 3 7.684 13.906 10.195 1.00 0.00 N ATOM 0 H LYS B 3 7.928 7.909 9.917 1.00 0.00 H new ATOM 0 HA LYS B 3 7.660 9.890 7.751 1.00 0.00 H new ATOM 0 HB2 LYS B 3 9.432 9.849 10.219 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.264 11.177 9.087 1.00 0.00 H new ATOM 0 HG2 LYS B 3 7.015 10.071 10.809 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.961 11.495 11.191 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.300 11.173 8.659 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.742 11.991 10.105 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.187 12.786 8.472 1.00 0.00 H new ATOM 0 HE3 LYS B 3 6.623 13.572 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 7.880 14.865 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 6.905 13.941 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.535 13.524 10.654 1.00 0.00 H new ATOM 1160 N THR B 4 9.838 7.572 8.006 1.00 0.00 N ATOM 1161 CA THR B 4 10.998 6.947 7.410 1.00 0.00 C ATOM 1162 C THR B 4 10.659 5.581 6.827 1.00 0.00 C ATOM 1163 O THR B 4 9.545 5.076 7.011 1.00 0.00 O ATOM 1164 CB THR B 4 12.143 6.804 8.430 1.00 0.00 C ATOM 1165 OG1 THR B 4 11.655 6.205 9.634 1.00 0.00 O ATOM 1166 CG2 THR B 4 12.762 8.154 8.746 1.00 0.00 C ATOM 0 H THR B 4 9.309 6.968 8.636 1.00 0.00 H new ATOM 0 HA THR B 4 11.327 7.599 6.601 1.00 0.00 H new ATOM 0 HB THR B 4 12.910 6.166 7.991 1.00 0.00 H new ATOM 0 HG1 THR B 4 12.390 6.116 10.276 1.00 0.00 H new ATOM 0 HG21 THR B 4 13.568 8.025 9.469 1.00 0.00 H new ATOM 0 HG22 THR B 4 13.161 8.594 7.832 1.00 0.00 H new ATOM 0 HG23 THR B 4 12.002 8.814 9.164 1.00 0.00 H new ATOM 1174 N LEU B 5 11.621 4.986 6.144 1.00 0.00 N ATOM 1175 CA LEU B 5 11.413 3.734 5.435 1.00 0.00 C ATOM 1176 C LEU B 5 11.064 2.609 6.408 1.00 0.00 C ATOM 1177 O LEU B 5 10.053 1.925 6.241 1.00 0.00 O ATOM 1178 CB LEU B 5 12.674 3.406 4.622 1.00 0.00 C ATOM 1179 CG LEU B 5 12.534 2.318 3.556 1.00 0.00 C ATOM 1180 CD1 LEU B 5 12.738 0.936 4.147 1.00 0.00 C ATOM 1181 CD2 LEU B 5 11.178 2.417 2.881 1.00 0.00 C ATOM 0 H LEU B 5 12.568 5.356 6.065 1.00 0.00 H new ATOM 0 HA LEU B 5 10.569 3.836 4.752 1.00 0.00 H new ATOM 0 HB2 LEU B 5 13.013 4.320 4.134 1.00 0.00 H new ATOM 0 HB3 LEU B 5 13.459 3.105 5.316 1.00 0.00 H new ATOM 0 HG LEU B 5 13.311 2.475 2.808 1.00 0.00 H new ATOM 0 HD11 LEU B 5 12.632 0.186 3.363 1.00 0.00 H new ATOM 0 HD12 LEU B 5 13.736 0.869 4.580 1.00 0.00 H new ATOM 0 HD13 LEU B 5 11.993 0.758 4.923 1.00 0.00 H new ATOM 0 HD21 LEU B 5 11.090 1.637 2.124 1.00 0.00 H new ATOM 0 HD22 LEU B 5 10.391 2.291 3.625 1.00 0.00 H new ATOM 0 HD23 LEU B 5 11.077 3.394 2.409 1.00 0.00 H new ATOM 1193 N HIS B 6 11.886 2.450 7.435 1.00 0.00 N ATOM 1194 CA HIS B 6 11.692 1.407 8.439 1.00 0.00 C ATOM 1195 C HIS B 6 10.288 1.453 9.027 1.00 0.00 C ATOM 1196 O HIS B 6 9.645 0.419 9.212 1.00 0.00 O ATOM 1197 CB HIS B 6 12.726 1.569 9.554 1.00 0.00 C ATOM 1198 CG HIS B 6 12.561 0.612 10.701 1.00 0.00 C ATOM 1199 ND1 HIS B 6 12.037 0.986 11.919 1.00 0.00 N ATOM 1200 CD2 HIS B 6 12.866 -0.703 10.818 1.00 0.00 C ATOM 1201 CE1 HIS B 6 12.030 -0.052 12.731 1.00 0.00 C ATOM 1202 NE2 HIS B 6 12.525 -1.089 12.087 1.00 0.00 N ATOM 0 H HIS B 6 12.704 3.037 7.598 1.00 0.00 H new ATOM 0 HA HIS B 6 11.820 0.440 7.952 1.00 0.00 H new ATOM 0 HB2 HIS B 6 13.722 1.440 9.130 1.00 0.00 H new ATOM 0 HB3 HIS B 6 12.672 2.588 9.937 1.00 0.00 H new ATOM 0 HD1 HIS B 6 11.706 1.921 12.156 1.00 0.00 H new ATOM 0 HD2 HIS B 6 13.298 -1.330 10.052 1.00 0.00 H new ATOM 0 HE1 HIS B 6 11.678 -0.052 13.752 1.00 0.00 H new ATOM 1211 N GLU B 7 9.816 2.656 9.296 1.00 0.00 N ATOM 1212 CA GLU B 7 8.522 2.839 9.927 1.00 0.00 C ATOM 1213 C GLU B 7 7.405 2.443 8.975 1.00 0.00 C ATOM 1214 O GLU B 7 6.363 1.935 9.393 1.00 0.00 O ATOM 1215 CB GLU B 7 8.352 4.291 10.357 1.00 0.00 C ATOM 1216 CG GLU B 7 9.489 4.807 11.219 1.00 0.00 C ATOM 1217 CD GLU B 7 9.747 3.956 12.441 1.00 0.00 C ATOM 1218 OE1 GLU B 7 8.911 3.969 13.365 1.00 0.00 O ATOM 1219 OE2 GLU B 7 10.797 3.281 12.487 1.00 0.00 O ATOM 0 H GLU B 7 10.311 3.523 9.087 1.00 0.00 H new ATOM 0 HA GLU B 7 8.471 2.199 10.808 1.00 0.00 H new ATOM 0 HB2 GLU B 7 8.268 4.917 9.468 1.00 0.00 H new ATOM 0 HB3 GLU B 7 7.416 4.391 10.907 1.00 0.00 H new ATOM 0 HG2 GLU B 7 10.398 4.854 10.619 1.00 0.00 H new ATOM 0 HG3 GLU B 7 9.263 5.825 11.535 1.00 0.00 H new ATOM 1226 N LEU B 8 7.637 2.676 7.692 1.00 0.00 N ATOM 1227 CA LEU B 8 6.675 2.333 6.660 1.00 0.00 C ATOM 1228 C LEU B 8 6.581 0.820 6.526 1.00 0.00 C ATOM 1229 O LEU B 8 5.493 0.261 6.388 1.00 0.00 O ATOM 1230 CB LEU B 8 7.099 2.985 5.338 1.00 0.00 C ATOM 1231 CG LEU B 8 6.050 3.012 4.219 1.00 0.00 C ATOM 1232 CD1 LEU B 8 5.955 1.669 3.517 1.00 0.00 C ATOM 1233 CD2 LEU B 8 4.694 3.424 4.767 1.00 0.00 C ATOM 0 H LEU B 8 8.493 3.106 7.340 1.00 0.00 H new ATOM 0 HA LEU B 8 5.687 2.708 6.929 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.402 4.011 5.546 1.00 0.00 H new ATOM 0 HB3 LEU B 8 7.980 2.461 4.967 1.00 0.00 H new ATOM 0 HG LEU B 8 6.368 3.751 3.484 1.00 0.00 H new ATOM 0 HD11 LEU B 8 5.203 1.722 2.730 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.921 1.418 3.079 1.00 0.00 H new ATOM 0 HD13 LEU B 8 5.673 0.901 4.237 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.963 3.437 3.958 1.00 0.00 H new ATOM 0 HD22 LEU B 8 4.378 2.712 5.530 1.00 0.00 H new ATOM 0 HD23 LEU B 8 4.766 4.419 5.207 1.00 0.00 H new ATOM 1245 N LEU B 9 7.728 0.164 6.587 1.00 0.00 N ATOM 1246 CA LEU B 9 7.782 -1.287 6.516 1.00 0.00 C ATOM 1247 C LEU B 9 7.042 -1.914 7.687 1.00 0.00 C ATOM 1248 O LEU B 9 6.322 -2.894 7.515 1.00 0.00 O ATOM 1249 CB LEU B 9 9.232 -1.771 6.478 1.00 0.00 C ATOM 1250 CG LEU B 9 9.886 -1.805 5.091 1.00 0.00 C ATOM 1251 CD1 LEU B 9 9.317 -2.938 4.266 1.00 0.00 C ATOM 1252 CD2 LEU B 9 9.690 -0.493 4.359 1.00 0.00 C ATOM 0 H LEU B 9 8.637 0.615 6.686 1.00 0.00 H new ATOM 0 HA LEU B 9 7.290 -1.599 5.595 1.00 0.00 H new ATOM 0 HB2 LEU B 9 9.828 -1.127 7.125 1.00 0.00 H new ATOM 0 HB3 LEU B 9 9.272 -2.774 6.903 1.00 0.00 H new ATOM 0 HG LEU B 9 10.955 -1.965 5.234 1.00 0.00 H new ATOM 0 HD11 LEU B 9 9.792 -2.948 3.285 1.00 0.00 H new ATOM 0 HD12 LEU B 9 9.506 -3.886 4.770 1.00 0.00 H new ATOM 0 HD13 LEU B 9 8.243 -2.798 4.148 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.165 -0.548 3.379 1.00 0.00 H new ATOM 0 HD22 LEU B 9 8.624 -0.301 4.235 1.00 0.00 H new ATOM 0 HD23 LEU B 9 10.140 0.316 4.935 1.00 0.00 H new ATOM 1264 N GLU B 10 7.199 -1.340 8.874 1.00 0.00 N ATOM 1265 CA GLU B 10 6.466 -1.816 10.042 1.00 0.00 C ATOM 1266 C GLU B 10 4.976 -1.540 9.882 1.00 0.00 C ATOM 1267 O GLU B 10 4.139 -2.315 10.336 1.00 0.00 O ATOM 1268 CB GLU B 10 6.973 -1.153 11.320 1.00 0.00 C ATOM 1269 CG GLU B 10 8.403 -1.514 11.674 1.00 0.00 C ATOM 1270 CD GLU B 10 8.794 -1.018 13.047 1.00 0.00 C ATOM 1271 OE1 GLU B 10 8.972 0.203 13.212 1.00 0.00 O ATOM 1272 OE2 GLU B 10 8.928 -1.851 13.969 1.00 0.00 O ATOM 0 H GLU B 10 7.821 -0.552 9.053 1.00 0.00 H new ATOM 0 HA GLU B 10 6.629 -2.891 10.120 1.00 0.00 H new ATOM 0 HB2 GLU B 10 6.898 -0.071 11.211 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.322 -1.436 12.147 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.523 -2.597 11.633 1.00 0.00 H new ATOM 0 HG3 GLU B 10 9.078 -1.090 10.931 1.00 0.00 H new ATOM 1279 N ARG B 11 4.665 -0.436 9.214 1.00 0.00 N ATOM 1280 CA ARG B 11 3.289 -0.022 8.989 1.00 0.00 C ATOM 1281 C ARG B 11 2.553 -1.063 8.160 1.00 0.00 C ATOM 1282 O ARG B 11 1.424 -1.429 8.462 1.00 0.00 O ATOM 1283 CB ARG B 11 3.273 1.324 8.263 1.00 0.00 C ATOM 1284 CG ARG B 11 2.254 2.314 8.795 1.00 0.00 C ATOM 1285 CD ARG B 11 0.827 1.908 8.481 1.00 0.00 C ATOM 1286 NE ARG B 11 -0.121 2.886 9.007 1.00 0.00 N ATOM 1287 CZ ARG B 11 -1.233 2.583 9.669 1.00 0.00 C ATOM 1288 NH1 ARG B 11 -1.634 1.325 9.788 1.00 0.00 N ATOM 1289 NH2 ARG B 11 -1.962 3.563 10.184 1.00 0.00 N ATOM 0 H ARG B 11 5.359 0.195 8.814 1.00 0.00 H new ATOM 0 HA ARG B 11 2.787 0.077 9.951 1.00 0.00 H new ATOM 0 HB2 ARG B 11 4.265 1.771 8.331 1.00 0.00 H new ATOM 0 HB3 ARG B 11 3.074 1.150 7.206 1.00 0.00 H new ATOM 0 HG2 ARG B 11 2.372 2.407 9.875 1.00 0.00 H new ATOM 0 HG3 ARG B 11 2.451 3.297 8.367 1.00 0.00 H new ATOM 0 HD2 ARG B 11 0.700 1.816 7.402 1.00 0.00 H new ATOM 0 HD3 ARG B 11 0.621 0.928 8.911 1.00 0.00 H new ATOM 0 HE ARG B 11 0.085 3.873 8.855 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -1.087 0.573 9.368 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -2.490 1.109 10.299 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -1.667 4.533 10.069 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -2.818 3.347 10.695 1.00 0.00 H new ATOM 1303 N ILE B 12 3.212 -1.545 7.120 1.00 0.00 N ATOM 1304 CA ILE B 12 2.596 -2.496 6.211 1.00 0.00 C ATOM 1305 C ILE B 12 2.878 -3.935 6.628 1.00 0.00 C ATOM 1306 O ILE B 12 2.261 -4.868 6.123 1.00 0.00 O ATOM 1307 CB ILE B 12 3.060 -2.260 4.766 1.00 0.00 C ATOM 1308 CG1 ILE B 12 4.571 -2.464 4.627 1.00 0.00 C ATOM 1309 CG2 ILE B 12 2.677 -0.854 4.344 1.00 0.00 C ATOM 1310 CD1 ILE B 12 5.067 -2.324 3.205 1.00 0.00 C ATOM 0 H ILE B 12 4.172 -1.294 6.884 1.00 0.00 H new ATOM 0 HA ILE B 12 1.519 -2.336 6.260 1.00 0.00 H new ATOM 0 HB ILE B 12 2.570 -2.986 4.117 1.00 0.00 H new ATOM 0 HG12 ILE B 12 5.088 -1.740 5.257 1.00 0.00 H new ATOM 0 HG13 ILE B 12 4.832 -3.455 4.999 1.00 0.00 H new ATOM 0 HG21 ILE B 12 3.004 -0.680 3.319 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.595 -0.738 4.405 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.157 -0.132 5.005 1.00 0.00 H new ATOM 0 HD11 ILE B 12 6.145 -2.481 3.179 1.00 0.00 H new ATOM 0 HD12 ILE B 12 4.577 -3.066 2.574 1.00 0.00 H new ATOM 0 HD13 ILE B 12 4.836 -1.325 2.836 1.00 0.00 H new ATOM 1322 N GLY B 13 3.810 -4.110 7.550 1.00 0.00 N ATOM 1323 CA GLY B 13 4.073 -5.426 8.093 1.00 0.00 C ATOM 1324 C GLY B 13 5.124 -6.186 7.314 1.00 0.00 C ATOM 1325 O GLY B 13 5.057 -7.410 7.197 1.00 0.00 O ATOM 0 H GLY B 13 4.390 -3.364 7.933 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.397 -5.328 9.129 1.00 0.00 H new ATOM 0 HA3 GLY B 13 3.147 -6.002 8.101 1.00 0.00 H new ATOM 1329 N LEU B 14 6.090 -5.462 6.775 1.00 0.00 N ATOM 1330 CA LEU B 14 7.196 -6.072 6.056 1.00 0.00 C ATOM 1331 C LEU B 14 8.521 -5.633 6.642 1.00 0.00 C ATOM 1332 O LEU B 14 9.528 -5.561 5.938 1.00 0.00 O ATOM 1333 CB LEU B 14 7.159 -5.733 4.565 1.00 0.00 C ATOM 1334 CG LEU B 14 6.175 -6.545 3.724 1.00 0.00 C ATOM 1335 CD1 LEU B 14 6.225 -8.009 4.112 1.00 0.00 C ATOM 1336 CD2 LEU B 14 4.764 -6.013 3.850 1.00 0.00 C ATOM 0 H LEU B 14 6.131 -4.444 6.822 1.00 0.00 H new ATOM 0 HA LEU B 14 7.092 -7.152 6.164 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.914 -4.676 4.458 1.00 0.00 H new ATOM 0 HB3 LEU B 14 8.159 -5.872 4.155 1.00 0.00 H new ATOM 0 HG LEU B 14 6.475 -6.448 2.681 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.518 -8.571 3.503 1.00 0.00 H new ATOM 0 HD12 LEU B 14 7.231 -8.395 3.949 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.962 -8.116 5.164 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.092 -6.615 3.238 1.00 0.00 H new ATOM 0 HD22 LEU B 14 4.448 -6.062 4.892 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.734 -4.978 3.510 1.00 0.00 H new ATOM 1348 N GLU B 15 8.520 -5.357 7.939 1.00 0.00 N ATOM 1349 CA GLU B 15 9.733 -4.951 8.637 1.00 0.00 C ATOM 1350 C GLU B 15 10.810 -6.027 8.520 1.00 0.00 C ATOM 1351 O GLU B 15 11.997 -5.751 8.686 1.00 0.00 O ATOM 1352 CB GLU B 15 9.431 -4.662 10.103 1.00 0.00 C ATOM 1353 CG GLU B 15 8.836 -5.844 10.847 1.00 0.00 C ATOM 1354 CD GLU B 15 8.698 -5.584 12.327 1.00 0.00 C ATOM 1355 OE1 GLU B 15 9.715 -5.683 13.047 1.00 0.00 O ATOM 1356 OE2 GLU B 15 7.578 -5.283 12.780 1.00 0.00 O ATOM 0 H GLU B 15 7.691 -5.407 8.531 1.00 0.00 H new ATOM 0 HA GLU B 15 10.106 -4.039 8.171 1.00 0.00 H new ATOM 0 HB2 GLU B 15 10.351 -4.356 10.601 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.741 -3.821 10.164 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.856 -6.077 10.429 1.00 0.00 H new ATOM 0 HG3 GLU B 15 9.465 -6.721 10.692 1.00 0.00 H new ATOM 1363 N GLU B 16 10.374 -7.246 8.209 1.00 0.00 N ATOM 1364 CA GLU B 16 11.271 -8.367 7.964 1.00 0.00 C ATOM 1365 C GLU B 16 12.208 -8.084 6.792 1.00 0.00 C ATOM 1366 O GLU B 16 13.267 -8.695 6.668 1.00 0.00 O ATOM 1367 CB GLU B 16 10.452 -9.620 7.654 1.00 0.00 C ATOM 1368 CG GLU B 16 9.562 -9.455 6.430 1.00 0.00 C ATOM 1369 CD GLU B 16 8.779 -10.701 6.091 1.00 0.00 C ATOM 1370 OE1 GLU B 16 9.026 -11.285 5.015 1.00 0.00 O ATOM 1371 OE2 GLU B 16 7.909 -11.096 6.890 1.00 0.00 O ATOM 0 H GLU B 16 9.386 -7.482 8.120 1.00 0.00 H new ATOM 0 HA GLU B 16 11.872 -8.518 8.860 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.128 -10.460 7.495 1.00 0.00 H new ATOM 0 HB3 GLU B 16 9.833 -9.867 8.517 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.867 -8.633 6.602 1.00 0.00 H new ATOM 0 HG3 GLU B 16 10.179 -9.178 5.575 1.00 0.00 H new ATOM 1378 N HIS B 17 11.805 -7.159 5.929 1.00 0.00 N ATOM 1379 CA HIS B 17 12.553 -6.868 4.719 1.00 0.00 C ATOM 1380 C HIS B 17 13.084 -5.444 4.708 1.00 0.00 C ATOM 1381 O HIS B 17 13.583 -4.987 3.686 1.00 0.00 O ATOM 1382 CB HIS B 17 11.686 -7.091 3.478 1.00 0.00 C ATOM 1383 CG HIS B 17 11.485 -8.531 3.116 1.00 0.00 C ATOM 1384 ND1 HIS B 17 12.529 -9.406 2.890 1.00 0.00 N ATOM 1385 CD2 HIS B 17 10.350 -9.248 2.928 1.00 0.00 C ATOM 1386 CE1 HIS B 17 12.044 -10.594 2.576 1.00 0.00 C ATOM 1387 NE2 HIS B 17 10.727 -10.525 2.591 1.00 0.00 N ATOM 0 H HIS B 17 10.962 -6.598 6.048 1.00 0.00 H new ATOM 0 HA HIS B 17 13.401 -7.552 4.702 1.00 0.00 H new ATOM 0 HB2 HIS B 17 10.712 -6.631 3.642 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.143 -6.577 2.633 1.00 0.00 H new ATOM 0 HD2 HIS B 17 9.338 -8.883 3.025 1.00 0.00 H new ATOM 0 HE1 HIS B 17 12.627 -11.473 2.346 1.00 0.00 H new ATOM 0 HE2 HIS B 17 10.091 -11.296 2.386 1.00 0.00 H new ATOM 1396 N THR B 18 12.983 -4.744 5.831 1.00 0.00 N ATOM 1397 CA THR B 18 13.459 -3.367 5.897 1.00 0.00 C ATOM 1398 C THR B 18 14.931 -3.286 5.519 1.00 0.00 C ATOM 1399 O THR B 18 15.331 -2.461 4.695 1.00 0.00 O ATOM 1400 CB THR B 18 13.288 -2.762 7.293 1.00 0.00 C ATOM 1401 OG1 THR B 18 11.979 -3.040 7.801 1.00 0.00 O ATOM 1402 CG2 THR B 18 13.515 -1.264 7.238 1.00 0.00 C ATOM 0 H THR B 18 12.581 -5.100 6.698 1.00 0.00 H new ATOM 0 HA THR B 18 12.854 -2.800 5.190 1.00 0.00 H new ATOM 0 HB THR B 18 14.023 -3.211 7.961 1.00 0.00 H new ATOM 0 HG1 THR B 18 11.885 -2.649 8.695 1.00 0.00 H new ATOM 0 HG21 THR B 18 13.392 -0.840 8.235 1.00 0.00 H new ATOM 0 HG22 THR B 18 14.525 -1.062 6.880 1.00 0.00 H new ATOM 0 HG23 THR B 18 12.792 -0.811 6.559 1.00 0.00 H new ATOM 1410 N SER B 19 15.730 -4.161 6.116 1.00 0.00 N ATOM 1411 CA SER B 19 17.145 -4.231 5.814 1.00 0.00 C ATOM 1412 C SER B 19 17.354 -4.561 4.342 1.00 0.00 C ATOM 1413 O SER B 19 18.273 -4.052 3.713 1.00 0.00 O ATOM 1414 CB SER B 19 17.815 -5.277 6.695 1.00 0.00 C ATOM 1415 OG SER B 19 17.524 -5.044 8.065 1.00 0.00 O ATOM 0 H SER B 19 15.415 -4.834 6.815 1.00 0.00 H new ATOM 0 HA SER B 19 17.598 -3.261 6.018 1.00 0.00 H new ATOM 0 HB2 SER B 19 17.473 -6.272 6.410 1.00 0.00 H new ATOM 0 HB3 SER B 19 18.893 -5.254 6.539 1.00 0.00 H new ATOM 0 HG SER B 19 17.962 -5.728 8.613 1.00 0.00 H new ATOM 1421 N THR B 20 16.474 -5.390 3.793 1.00 0.00 N ATOM 1422 CA THR B 20 16.529 -5.742 2.384 1.00 0.00 C ATOM 1423 C THR B 20 16.417 -4.488 1.526 1.00 0.00 C ATOM 1424 O THR B 20 17.221 -4.266 0.620 1.00 0.00 O ATOM 1425 CB THR B 20 15.390 -6.703 2.007 1.00 0.00 C ATOM 1426 OG1 THR B 20 15.303 -7.767 2.964 1.00 0.00 O ATOM 1427 CG2 THR B 20 15.612 -7.276 0.619 1.00 0.00 C ATOM 0 H THR B 20 15.712 -5.831 4.307 1.00 0.00 H new ATOM 0 HA THR B 20 17.484 -6.235 2.203 1.00 0.00 H new ATOM 0 HB THR B 20 14.455 -6.143 2.009 1.00 0.00 H new ATOM 0 HG1 THR B 20 14.428 -8.202 2.890 1.00 0.00 H new ATOM 0 HG21 THR B 20 14.795 -7.954 0.370 1.00 0.00 H new ATOM 0 HG22 THR B 20 15.645 -6.465 -0.108 1.00 0.00 H new ATOM 0 HG23 THR B 20 16.556 -7.821 0.597 1.00 0.00 H new ATOM 1435 N LEU B 21 15.422 -3.665 1.835 1.00 0.00 N ATOM 1436 CA LEU B 21 15.242 -2.399 1.150 1.00 0.00 C ATOM 1437 C LEU B 21 16.473 -1.522 1.341 1.00 0.00 C ATOM 1438 O LEU B 21 17.066 -1.058 0.369 1.00 0.00 O ATOM 1439 CB LEU B 21 13.988 -1.672 1.662 1.00 0.00 C ATOM 1440 CG LEU B 21 12.649 -2.099 1.038 1.00 0.00 C ATOM 1441 CD1 LEU B 21 12.773 -2.257 -0.466 1.00 0.00 C ATOM 1442 CD2 LEU B 21 12.125 -3.377 1.664 1.00 0.00 C ATOM 0 H LEU B 21 14.728 -3.856 2.558 1.00 0.00 H new ATOM 0 HA LEU B 21 15.109 -2.600 0.087 1.00 0.00 H new ATOM 0 HB2 LEU B 21 13.925 -1.818 2.740 1.00 0.00 H new ATOM 0 HB3 LEU B 21 14.119 -0.603 1.492 1.00 0.00 H new ATOM 0 HG LEU B 21 11.930 -1.306 1.243 1.00 0.00 H new ATOM 0 HD11 LEU B 21 11.811 -2.559 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU B 21 13.076 -1.308 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU B 21 13.521 -3.017 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU B 21 11.178 -3.648 1.198 1.00 0.00 H new ATOM 0 HD22 LEU B 21 12.847 -4.179 1.512 1.00 0.00 H new ATOM 0 HD23 LEU B 21 11.973 -3.223 2.732 1.00 0.00 H new ATOM 1454 N LEU B 22 16.871 -1.340 2.595 1.00 0.00 N ATOM 1455 CA LEU B 22 18.025 -0.510 2.942 1.00 0.00 C ATOM 1456 C LEU B 22 19.288 -0.944 2.198 1.00 0.00 C ATOM 1457 O LEU B 22 20.042 -0.106 1.697 1.00 0.00 O ATOM 1458 CB LEU B 22 18.273 -0.558 4.452 1.00 0.00 C ATOM 1459 CG LEU B 22 17.649 0.582 5.264 1.00 0.00 C ATOM 1460 CD1 LEU B 22 16.157 0.686 5.005 1.00 0.00 C ATOM 1461 CD2 LEU B 22 17.913 0.375 6.744 1.00 0.00 C ATOM 0 H LEU B 22 16.406 -1.761 3.400 1.00 0.00 H new ATOM 0 HA LEU B 22 17.794 0.511 2.638 1.00 0.00 H new ATOM 0 HB2 LEU B 22 17.890 -1.504 4.835 1.00 0.00 H new ATOM 0 HB3 LEU B 22 19.349 -0.556 4.625 1.00 0.00 H new ATOM 0 HG LEU B 22 18.112 1.517 4.948 1.00 0.00 H new ATOM 0 HD11 LEU B 22 15.741 1.503 5.595 1.00 0.00 H new ATOM 0 HD12 LEU B 22 15.984 0.878 3.946 1.00 0.00 H new ATOM 0 HD13 LEU B 22 15.673 -0.248 5.288 1.00 0.00 H new ATOM 0 HD21 LEU B 22 17.465 1.191 7.311 1.00 0.00 H new ATOM 0 HD22 LEU B 22 17.476 -0.571 7.063 1.00 0.00 H new ATOM 0 HD23 LEU B 22 18.988 0.356 6.923 1.00 0.00 H new ATOM 1473 N LEU B 23 19.506 -2.249 2.118 1.00 0.00 N ATOM 1474 CA LEU B 23 20.682 -2.799 1.453 1.00 0.00 C ATOM 1475 C LEU B 23 20.624 -2.570 -0.048 1.00 0.00 C ATOM 1476 O LEU B 23 21.652 -2.513 -0.720 1.00 0.00 O ATOM 1477 CB LEU B 23 20.801 -4.296 1.736 1.00 0.00 C ATOM 1478 CG LEU B 23 21.082 -4.666 3.192 1.00 0.00 C ATOM 1479 CD1 LEU B 23 21.123 -6.175 3.358 1.00 0.00 C ATOM 1480 CD2 LEU B 23 22.383 -4.039 3.661 1.00 0.00 C ATOM 0 H LEU B 23 18.879 -2.953 2.508 1.00 0.00 H new ATOM 0 HA LEU B 23 21.557 -2.283 1.849 1.00 0.00 H new ATOM 0 HB2 LEU B 23 19.875 -4.782 1.427 1.00 0.00 H new ATOM 0 HB3 LEU B 23 21.598 -4.704 1.114 1.00 0.00 H new ATOM 0 HG LEU B 23 20.273 -4.275 3.809 1.00 0.00 H new ATOM 0 HD11 LEU B 23 21.324 -6.421 4.401 1.00 0.00 H new ATOM 0 HD12 LEU B 23 20.163 -6.600 3.064 1.00 0.00 H new ATOM 0 HD13 LEU B 23 21.911 -6.589 2.729 1.00 0.00 H new ATOM 0 HD21 LEU B 23 22.566 -4.314 4.700 1.00 0.00 H new ATOM 0 HD22 LEU B 23 23.204 -4.398 3.041 1.00 0.00 H new ATOM 0 HD23 LEU B 23 22.314 -2.954 3.580 1.00 0.00 H new ATOM 1492 N ASN B 24 19.418 -2.438 -0.572 1.00 0.00 N ATOM 1493 CA ASN B 24 19.229 -2.251 -2.000 1.00 0.00 C ATOM 1494 C ASN B 24 18.997 -0.783 -2.335 1.00 0.00 C ATOM 1495 O ASN B 24 18.572 -0.440 -3.436 1.00 0.00 O ATOM 1496 CB ASN B 24 18.079 -3.124 -2.496 1.00 0.00 C ATOM 1497 CG ASN B 24 18.500 -4.574 -2.652 1.00 0.00 C ATOM 1498 OD1 ASN B 24 18.952 -4.988 -3.717 1.00 0.00 O ATOM 1499 ND2 ASN B 24 18.360 -5.352 -1.589 1.00 0.00 N ATOM 0 H ASN B 24 18.554 -2.457 -0.030 1.00 0.00 H new ATOM 0 HA ASN B 24 20.139 -2.560 -2.514 1.00 0.00 H new ATOM 0 HB2 ASN B 24 17.246 -3.060 -1.796 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.721 -2.744 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN B 24 18.632 -6.334 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN B 24 17.980 -4.969 -0.723 1.00 0.00 H new ATOM 1506 N GLY B 25 19.262 0.077 -1.363 1.00 0.00 N ATOM 1507 CA GLY B 25 19.253 1.506 -1.606 1.00 0.00 C ATOM 1508 C GLY B 25 17.978 2.169 -1.150 1.00 0.00 C ATOM 1509 O GLY B 25 17.895 3.394 -1.078 1.00 0.00 O ATOM 0 H GLY B 25 19.485 -0.191 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY B 25 20.099 1.963 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY B 25 19.391 1.689 -2.671 1.00 0.00 H new ATOM 1513 N TYR B 26 16.991 1.360 -0.814 1.00 0.00 N ATOM 1514 CA TYR B 26 15.701 1.865 -0.388 1.00 0.00 C ATOM 1515 C TYR B 26 15.732 2.200 1.090 1.00 0.00 C ATOM 1516 O TYR B 26 15.166 1.489 1.915 1.00 0.00 O ATOM 1517 CB TYR B 26 14.618 0.833 -0.670 1.00 0.00 C ATOM 1518 CG TYR B 26 14.474 0.499 -2.130 1.00 0.00 C ATOM 1519 CD1 TYR B 26 13.811 1.358 -2.987 1.00 0.00 C ATOM 1520 CD2 TYR B 26 14.998 -0.677 -2.648 1.00 0.00 C ATOM 1521 CE1 TYR B 26 13.672 1.061 -4.323 1.00 0.00 C ATOM 1522 CE2 TYR B 26 14.865 -0.982 -3.985 1.00 0.00 C ATOM 1523 CZ TYR B 26 14.200 -0.108 -4.818 1.00 0.00 C ATOM 1524 OH TYR B 26 14.057 -0.403 -6.149 1.00 0.00 O ATOM 0 H TYR B 26 17.060 0.342 -0.828 1.00 0.00 H new ATOM 0 HA TYR B 26 15.476 2.773 -0.947 1.00 0.00 H new ATOM 0 HB2 TYR B 26 14.843 -0.079 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR B 26 13.665 1.206 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR B 26 13.395 2.277 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR B 26 15.517 -1.362 -1.994 1.00 0.00 H new ATOM 0 HE1 TYR B 26 13.151 1.742 -4.979 1.00 0.00 H new ATOM 0 HE2 TYR B 26 15.279 -1.899 -4.377 1.00 0.00 H new ATOM 0 HH TYR B 26 14.135 -1.371 -6.280 1.00 0.00 H new ATOM 1534 N GLN B 27 16.410 3.282 1.416 1.00 0.00 N ATOM 1535 CA GLN B 27 16.570 3.694 2.798 1.00 0.00 C ATOM 1536 C GLN B 27 15.625 4.832 3.112 1.00 0.00 C ATOM 1537 O GLN B 27 15.512 5.272 4.254 1.00 0.00 O ATOM 1538 CB GLN B 27 18.008 4.128 3.044 1.00 0.00 C ATOM 1539 CG GLN B 27 19.022 3.094 2.596 1.00 0.00 C ATOM 1540 CD GLN B 27 20.454 3.520 2.842 1.00 0.00 C ATOM 1541 OE1 GLN B 27 20.776 4.708 2.828 1.00 0.00 O ATOM 1542 NE2 GLN B 27 21.324 2.552 3.070 1.00 0.00 N ATOM 0 H GLN B 27 16.862 3.896 0.739 1.00 0.00 H new ATOM 0 HA GLN B 27 16.336 2.852 3.449 1.00 0.00 H new ATOM 0 HB2 GLN B 27 18.195 5.064 2.518 1.00 0.00 H new ATOM 0 HB3 GLN B 27 18.145 4.327 4.107 1.00 0.00 H new ATOM 0 HG2 GLN B 27 18.833 2.157 3.121 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.885 2.897 1.533 1.00 0.00 H new ATOM 0 HE21 GLN B 27 21.016 1.580 3.073 1.00 0.00 H new ATOM 0 HE22 GLN B 27 22.304 2.777 3.243 1.00 0.00 H new ATOM 1551 N THR B 28 14.951 5.307 2.082 1.00 0.00 N ATOM 1552 CA THR B 28 14.034 6.416 2.216 1.00 0.00 C ATOM 1553 C THR B 28 12.718 6.089 1.538 1.00 0.00 C ATOM 1554 O THR B 28 12.652 5.199 0.687 1.00 0.00 O ATOM 1555 CB THR B 28 14.620 7.690 1.584 1.00 0.00 C ATOM 1556 OG1 THR B 28 14.886 7.459 0.196 1.00 0.00 O ATOM 1557 CG2 THR B 28 15.901 8.109 2.287 1.00 0.00 C ATOM 0 H THR B 28 15.025 4.935 1.135 1.00 0.00 H new ATOM 0 HA THR B 28 13.869 6.589 3.279 1.00 0.00 H new ATOM 0 HB THR B 28 13.891 8.493 1.692 1.00 0.00 H new ATOM 0 HG1 THR B 28 15.258 8.272 -0.206 1.00 0.00 H new ATOM 0 HG21 THR B 28 16.294 9.012 1.820 1.00 0.00 H new ATOM 0 HG22 THR B 28 15.691 8.306 3.338 1.00 0.00 H new ATOM 0 HG23 THR B 28 16.638 7.310 2.208 1.00 0.00 H new ATOM 1565 N LEU B 29 11.676 6.810 1.910 1.00 0.00 N ATOM 1566 CA LEU B 29 10.386 6.672 1.259 1.00 0.00 C ATOM 1567 C LEU B 29 10.478 7.218 -0.158 1.00 0.00 C ATOM 1568 O LEU B 29 9.761 6.786 -1.060 1.00 0.00 O ATOM 1569 CB LEU B 29 9.317 7.417 2.057 1.00 0.00 C ATOM 1570 CG LEU B 29 9.141 6.932 3.495 1.00 0.00 C ATOM 1571 CD1 LEU B 29 8.116 7.781 4.228 1.00 0.00 C ATOM 1572 CD2 LEU B 29 8.734 5.470 3.511 1.00 0.00 C ATOM 0 H LEU B 29 11.698 7.499 2.662 1.00 0.00 H new ATOM 0 HA LEU B 29 10.107 5.619 1.215 1.00 0.00 H new ATOM 0 HB2 LEU B 29 9.568 8.477 2.074 1.00 0.00 H new ATOM 0 HB3 LEU B 29 8.364 7.324 1.537 1.00 0.00 H new ATOM 0 HG LEU B 29 10.095 7.032 4.012 1.00 0.00 H new ATOM 0 HD11 LEU B 29 8.007 7.418 5.250 1.00 0.00 H new ATOM 0 HD12 LEU B 29 8.449 8.819 4.245 1.00 0.00 H new ATOM 0 HD13 LEU B 29 7.156 7.716 3.715 1.00 0.00 H new ATOM 0 HD21 LEU B 29 8.612 5.138 4.542 1.00 0.00 H new ATOM 0 HD22 LEU B 29 7.792 5.349 2.977 1.00 0.00 H new ATOM 0 HD23 LEU B 29 9.506 4.872 3.026 1.00 0.00 H new ATOM 1584 N GLU B 30 11.395 8.160 -0.336 1.00 0.00 N ATOM 1585 CA GLU B 30 11.662 8.761 -1.631 1.00 0.00 C ATOM 1586 C GLU B 30 12.267 7.736 -2.583 1.00 0.00 C ATOM 1587 O GLU B 30 12.065 7.801 -3.793 1.00 0.00 O ATOM 1588 CB GLU B 30 12.607 9.949 -1.459 1.00 0.00 C ATOM 1589 CG GLU B 30 12.789 10.783 -2.716 1.00 0.00 C ATOM 1590 CD GLU B 30 11.476 11.307 -3.264 1.00 0.00 C ATOM 1591 OE1 GLU B 30 10.626 11.755 -2.466 1.00 0.00 O ATOM 1592 OE2 GLU B 30 11.285 11.280 -4.496 1.00 0.00 O ATOM 0 H GLU B 30 11.975 8.528 0.418 1.00 0.00 H new ATOM 0 HA GLU B 30 10.723 9.110 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU B 30 12.227 10.589 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU B 30 13.581 9.581 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU B 30 13.448 11.623 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU B 30 13.282 10.181 -3.479 1.00 0.00 H new ATOM 1599 N ASP B 31 13.018 6.792 -2.038 1.00 0.00 N ATOM 1600 CA ASP B 31 13.604 5.739 -2.849 1.00 0.00 C ATOM 1601 C ASP B 31 12.617 4.587 -2.993 1.00 0.00 C ATOM 1602 O ASP B 31 12.451 4.023 -4.074 1.00 0.00 O ATOM 1603 CB ASP B 31 14.910 5.244 -2.223 1.00 0.00 C ATOM 1604 CG ASP B 31 15.879 4.700 -3.254 1.00 0.00 C ATOM 1605 OD1 ASP B 31 15.741 3.533 -3.659 1.00 0.00 O ATOM 1606 OD2 ASP B 31 16.788 5.449 -3.670 1.00 0.00 O ATOM 0 H ASP B 31 13.235 6.734 -1.043 1.00 0.00 H new ATOM 0 HA ASP B 31 13.828 6.140 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP B 31 15.383 6.063 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP B 31 14.687 4.466 -1.493 1.00 0.00 H new ATOM 1611 N PHE B 32 11.935 4.273 -1.895 1.00 0.00 N ATOM 1612 CA PHE B 32 10.995 3.155 -1.849 1.00 0.00 C ATOM 1613 C PHE B 32 9.822 3.355 -2.803 1.00 0.00 C ATOM 1614 O PHE B 32 9.248 2.391 -3.289 1.00 0.00 O ATOM 1615 CB PHE B 32 10.477 2.961 -0.424 1.00 0.00 C ATOM 1616 CG PHE B 32 9.615 1.740 -0.253 1.00 0.00 C ATOM 1617 CD1 PHE B 32 10.169 0.524 0.114 1.00 0.00 C ATOM 1618 CD2 PHE B 32 8.251 1.811 -0.458 1.00 0.00 C ATOM 1619 CE1 PHE B 32 9.374 -0.595 0.273 1.00 0.00 C ATOM 1620 CE2 PHE B 32 7.452 0.699 -0.303 1.00 0.00 C ATOM 1621 CZ PHE B 32 8.013 -0.506 0.064 1.00 0.00 C ATOM 0 H PHE B 32 12.017 4.783 -1.016 1.00 0.00 H new ATOM 0 HA PHE B 32 11.534 2.263 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE B 32 11.327 2.893 0.255 1.00 0.00 H new ATOM 0 HB3 PHE B 32 9.905 3.842 -0.132 1.00 0.00 H new ATOM 0 HD1 PHE B 32 11.234 0.450 0.278 1.00 0.00 H new ATOM 0 HD2 PHE B 32 7.804 2.752 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE B 32 9.817 -1.537 0.560 1.00 0.00 H new ATOM 0 HE2 PHE B 32 6.387 0.771 -0.469 1.00 0.00 H new ATOM 0 HZ PHE B 32 7.388 -1.378 0.188 1.00 0.00 H new ATOM 1631 N LYS B 33 9.465 4.598 -3.082 1.00 0.00 N ATOM 1632 CA LYS B 33 8.357 4.880 -3.991 1.00 0.00 C ATOM 1633 C LYS B 33 8.684 4.448 -5.425 1.00 0.00 C ATOM 1634 O LYS B 33 7.837 4.533 -6.314 1.00 0.00 O ATOM 1635 CB LYS B 33 7.994 6.363 -3.949 1.00 0.00 C ATOM 1636 CG LYS B 33 9.158 7.278 -4.274 1.00 0.00 C ATOM 1637 CD LYS B 33 8.778 8.747 -4.178 1.00 0.00 C ATOM 1638 CE LYS B 33 8.235 9.108 -2.803 1.00 0.00 C ATOM 1639 NZ LYS B 33 8.152 10.580 -2.611 1.00 0.00 N ATOM 0 H LYS B 33 9.920 5.425 -2.697 1.00 0.00 H new ATOM 0 HA LYS B 33 7.497 4.299 -3.657 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.185 6.551 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS B 33 7.615 6.608 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS B 33 9.982 7.072 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS B 33 9.517 7.062 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS B 33 9.651 9.362 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS B 33 8.029 8.978 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS B 33 7.246 8.669 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS B 33 8.876 8.677 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 7.908 10.788 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 9.070 11.012 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.420 10.971 -3.237 1.00 0.00 H new ATOM 1653 N GLU B 34 9.914 3.991 -5.637 1.00 0.00 N ATOM 1654 CA GLU B 34 10.334 3.471 -6.932 1.00 0.00 C ATOM 1655 C GLU B 34 10.430 1.949 -6.885 1.00 0.00 C ATOM 1656 O GLU B 34 10.868 1.308 -7.840 1.00 0.00 O ATOM 1657 CB GLU B 34 11.691 4.048 -7.325 1.00 0.00 C ATOM 1658 CG GLU B 34 11.761 5.561 -7.255 1.00 0.00 C ATOM 1659 CD GLU B 34 13.039 6.101 -7.857 1.00 0.00 C ATOM 1660 OE1 GLU B 34 13.049 6.391 -9.071 1.00 0.00 O ATOM 1661 OE2 GLU B 34 14.045 6.229 -7.123 1.00 0.00 O ATOM 0 H GLU B 34 10.642 3.971 -4.922 1.00 0.00 H new ATOM 0 HA GLU B 34 9.591 3.765 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU B 34 12.456 3.628 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU B 34 11.929 3.730 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU B 34 10.906 5.987 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU B 34 11.688 5.879 -6.215 1.00 0.00 H new ATOM 1668 N LEU B 35 10.031 1.382 -5.761 1.00 0.00 N ATOM 1669 CA LEU B 35 10.106 -0.052 -5.543 1.00 0.00 C ATOM 1670 C LEU B 35 9.052 -0.774 -6.381 1.00 0.00 C ATOM 1671 O LEU B 35 7.866 -0.453 -6.323 1.00 0.00 O ATOM 1672 CB LEU B 35 9.928 -0.331 -4.043 1.00 0.00 C ATOM 1673 CG LEU B 35 10.173 -1.760 -3.561 1.00 0.00 C ATOM 1674 CD1 LEU B 35 8.979 -2.646 -3.874 1.00 0.00 C ATOM 1675 CD2 LEU B 35 11.447 -2.313 -4.180 1.00 0.00 C ATOM 0 H LEU B 35 9.646 1.902 -4.973 1.00 0.00 H new ATOM 0 HA LEU B 35 11.079 -0.430 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.600 0.329 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU B 35 8.911 -0.052 -3.766 1.00 0.00 H new ATOM 0 HG LEU B 35 10.299 -1.747 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.175 -3.659 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.094 -2.253 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU B 35 8.810 -2.662 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.610 -3.332 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.353 -2.315 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.293 -1.690 -3.890 1.00 0.00 H new ATOM 1687 N ARG B 36 9.496 -1.742 -7.175 1.00 0.00 N ATOM 1688 CA ARG B 36 8.598 -2.492 -8.044 1.00 0.00 C ATOM 1689 C ARG B 36 8.785 -3.989 -7.837 1.00 0.00 C ATOM 1690 O ARG B 36 9.737 -4.406 -7.176 1.00 0.00 O ATOM 1691 CB ARG B 36 8.853 -2.143 -9.514 1.00 0.00 C ATOM 1692 CG ARG B 36 8.866 -0.651 -9.810 1.00 0.00 C ATOM 1693 CD ARG B 36 7.578 0.030 -9.375 1.00 0.00 C ATOM 1694 NE ARG B 36 7.643 1.477 -9.571 1.00 0.00 N ATOM 1695 CZ ARG B 36 7.163 2.372 -8.708 1.00 0.00 C ATOM 1696 NH1 ARG B 36 6.524 1.980 -7.610 1.00 0.00 N ATOM 1697 NH2 ARG B 36 7.320 3.666 -8.949 1.00 0.00 N ATOM 0 H ARG B 36 10.474 -2.026 -7.234 1.00 0.00 H new ATOM 0 HA ARG B 36 7.574 -2.220 -7.787 1.00 0.00 H new ATOM 0 HB2 ARG B 36 9.809 -2.570 -9.816 1.00 0.00 H new ATOM 0 HB3 ARG B 36 8.085 -2.616 -10.126 1.00 0.00 H new ATOM 0 HG2 ARG B 36 9.711 -0.188 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG B 36 9.015 -0.495 -10.878 1.00 0.00 H new ATOM 0 HD2 ARG B 36 6.741 -0.377 -9.942 1.00 0.00 H new ATOM 0 HD3 ARG B 36 7.388 -0.187 -8.324 1.00 0.00 H new ATOM 0 HE ARG B 36 8.084 1.824 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG B 36 6.397 0.986 -7.421 1.00 0.00 H new ATOM 0 HH12 ARG B 36 6.161 2.674 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG B 36 7.806 3.973 -9.792 1.00 0.00 H new ATOM 0 HH22 ARG B 36 6.955 4.355 -8.292 1.00 0.00 H new ATOM 1711 N GLU B 37 7.897 -4.795 -8.409 1.00 0.00 N ATOM 1712 CA GLU B 37 7.968 -6.243 -8.247 1.00 0.00 C ATOM 1713 C GLU B 37 9.270 -6.788 -8.811 1.00 0.00 C ATOM 1714 O GLU B 37 9.958 -7.576 -8.162 1.00 0.00 O ATOM 1715 CB GLU B 37 6.795 -6.932 -8.936 1.00 0.00 C ATOM 1716 CG GLU B 37 6.767 -8.429 -8.687 1.00 0.00 C ATOM 1717 CD GLU B 37 5.622 -9.126 -9.384 1.00 0.00 C ATOM 1718 OE1 GLU B 37 4.602 -9.407 -8.724 1.00 0.00 O ATOM 1719 OE2 GLU B 37 5.746 -9.412 -10.591 1.00 0.00 O ATOM 0 H GLU B 37 7.122 -4.472 -8.987 1.00 0.00 H new ATOM 0 HA GLU B 37 7.924 -6.452 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU B 37 5.862 -6.492 -8.584 1.00 0.00 H new ATOM 0 HB3 GLU B 37 6.849 -6.747 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU B 37 7.708 -8.865 -9.023 1.00 0.00 H new ATOM 0 HG3 GLU B 37 6.696 -8.611 -7.615 1.00 0.00 H new ATOM 1726 N THR B 38 9.609 -6.338 -10.012 1.00 0.00 N ATOM 1727 CA THR B 38 10.820 -6.773 -10.689 1.00 0.00 C ATOM 1728 C THR B 38 12.052 -6.481 -9.834 1.00 0.00 C ATOM 1729 O THR B 38 13.082 -7.147 -9.948 1.00 0.00 O ATOM 1730 CB THR B 38 10.955 -6.062 -12.045 1.00 0.00 C ATOM 1731 OG1 THR B 38 9.713 -6.145 -12.758 1.00 0.00 O ATOM 1732 CG2 THR B 38 12.064 -6.676 -12.879 1.00 0.00 C ATOM 0 H THR B 38 9.054 -5.665 -10.541 1.00 0.00 H new ATOM 0 HA THR B 38 10.751 -7.849 -10.850 1.00 0.00 H new ATOM 0 HB THR B 38 11.206 -5.018 -11.859 1.00 0.00 H new ATOM 0 HG1 THR B 38 9.800 -5.690 -13.621 1.00 0.00 H new ATOM 0 HG21 THR B 38 12.135 -6.152 -13.832 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.011 -6.590 -12.346 1.00 0.00 H new ATOM 0 HG23 THR B 38 11.844 -7.728 -13.059 1.00 0.00 H new ATOM 1740 N HIS B 39 11.926 -5.493 -8.961 1.00 0.00 N ATOM 1741 CA HIS B 39 13.005 -5.137 -8.058 1.00 0.00 C ATOM 1742 C HIS B 39 13.079 -6.154 -6.934 1.00 0.00 C ATOM 1743 O HIS B 39 14.152 -6.609 -6.575 1.00 0.00 O ATOM 1744 CB HIS B 39 12.807 -3.728 -7.493 1.00 0.00 C ATOM 1745 CG HIS B 39 12.828 -2.651 -8.536 1.00 0.00 C ATOM 1746 ND1 HIS B 39 12.721 -1.312 -8.236 1.00 0.00 N ATOM 1747 CD2 HIS B 39 12.911 -2.722 -9.885 1.00 0.00 C ATOM 1748 CE1 HIS B 39 12.724 -0.610 -9.351 1.00 0.00 C ATOM 1749 NE2 HIS B 39 12.842 -1.439 -10.367 1.00 0.00 N ATOM 0 H HIS B 39 11.085 -4.924 -8.860 1.00 0.00 H new ATOM 0 HA HIS B 39 13.943 -5.143 -8.613 1.00 0.00 H new ATOM 0 HB2 HIS B 39 11.855 -3.689 -6.963 1.00 0.00 H new ATOM 0 HB3 HIS B 39 13.589 -3.527 -6.760 1.00 0.00 H new ATOM 0 HD1 HIS B 39 12.650 -0.923 -7.296 1.00 0.00 H new ATOM 0 HD2 HIS B 39 13.013 -3.622 -10.473 1.00 0.00 H new ATOM 0 HE1 HIS B 39 12.643 0.465 -9.420 1.00 0.00 H new ATOM 1758 N LEU B 40 11.922 -6.535 -6.410 1.00 0.00 N ATOM 1759 CA LEU B 40 11.841 -7.544 -5.357 1.00 0.00 C ATOM 1760 C LEU B 40 12.393 -8.876 -5.832 1.00 0.00 C ATOM 1761 O LEU B 40 12.928 -9.651 -5.043 1.00 0.00 O ATOM 1762 CB LEU B 40 10.400 -7.702 -4.884 1.00 0.00 C ATOM 1763 CG LEU B 40 10.033 -6.892 -3.641 1.00 0.00 C ATOM 1764 CD1 LEU B 40 10.676 -5.524 -3.672 1.00 0.00 C ATOM 1765 CD2 LEU B 40 8.530 -6.762 -3.529 1.00 0.00 C ATOM 0 H LEU B 40 11.019 -6.158 -6.698 1.00 0.00 H new ATOM 0 HA LEU B 40 12.451 -7.208 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.734 -7.413 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU B 40 10.215 -8.756 -4.679 1.00 0.00 H new ATOM 0 HG LEU B 40 10.411 -7.422 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU B 40 10.397 -4.971 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU B 40 11.760 -5.632 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU B 40 10.335 -4.982 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU B 40 8.280 -6.183 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.142 -6.256 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.084 -7.754 -3.454 1.00 0.00 H new ATOM 1777 N ASN B 41 12.260 -9.127 -7.124 1.00 0.00 N ATOM 1778 CA ASN B 41 12.904 -10.275 -7.754 1.00 0.00 C ATOM 1779 C ASN B 41 14.404 -10.243 -7.487 1.00 0.00 C ATOM 1780 O ASN B 41 15.030 -11.274 -7.241 1.00 0.00 O ATOM 1781 CB ASN B 41 12.653 -10.268 -9.264 1.00 0.00 C ATOM 1782 CG ASN B 41 11.238 -10.668 -9.642 1.00 0.00 C ATOM 1783 OD1 ASN B 41 10.294 -10.488 -8.872 1.00 0.00 O ATOM 1784 ND2 ASN B 41 11.081 -11.200 -10.841 1.00 0.00 N ATOM 0 H ASN B 41 11.711 -8.551 -7.762 1.00 0.00 H new ATOM 0 HA ASN B 41 12.480 -11.185 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN B 41 12.857 -9.271 -9.654 1.00 0.00 H new ATOM 0 HB3 ASN B 41 13.356 -10.949 -9.745 1.00 0.00 H new ATOM 0 HD21 ASN B 41 10.152 -11.478 -11.158 1.00 0.00 H new ATOM 0 HD22 ASN B 41 11.889 -11.333 -11.450 1.00 0.00 H new ATOM 1791 N GLU B 42 14.960 -9.041 -7.514 1.00 0.00 N ATOM 1792 CA GLU B 42 16.379 -8.830 -7.280 1.00 0.00 C ATOM 1793 C GLU B 42 16.694 -8.849 -5.787 1.00 0.00 C ATOM 1794 O GLU B 42 17.754 -9.317 -5.366 1.00 0.00 O ATOM 1795 CB GLU B 42 16.799 -7.493 -7.881 1.00 0.00 C ATOM 1796 CG GLU B 42 16.518 -7.383 -9.368 1.00 0.00 C ATOM 1797 CD GLU B 42 17.234 -8.447 -10.172 1.00 0.00 C ATOM 1798 OE1 GLU B 42 18.421 -8.252 -10.498 1.00 0.00 O ATOM 1799 OE2 GLU B 42 16.614 -9.491 -10.477 1.00 0.00 O ATOM 0 H GLU B 42 14.439 -8.184 -7.699 1.00 0.00 H new ATOM 0 HA GLU B 42 16.935 -9.638 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU B 42 16.278 -6.690 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU B 42 17.865 -7.345 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU B 42 15.444 -7.464 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU B 42 16.824 -6.398 -9.721 1.00 0.00 H new ATOM 1806 N LEU B 43 15.760 -8.335 -4.995 1.00 0.00 N ATOM 1807 CA LEU B 43 15.909 -8.276 -3.543 1.00 0.00 C ATOM 1808 C LEU B 43 15.657 -9.639 -2.900 1.00 0.00 C ATOM 1809 O LEU B 43 15.756 -9.783 -1.680 1.00 0.00 O ATOM 1810 CB LEU B 43 14.947 -7.244 -2.946 1.00 0.00 C ATOM 1811 CG LEU B 43 15.409 -5.782 -2.986 1.00 0.00 C ATOM 1812 CD1 LEU B 43 15.487 -5.256 -4.405 1.00 0.00 C ATOM 1813 CD2 LEU B 43 14.484 -4.912 -2.161 1.00 0.00 C ATOM 0 H LEU B 43 14.881 -7.948 -5.338 1.00 0.00 H new ATOM 0 HA LEU B 43 16.936 -7.979 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU B 43 13.996 -7.317 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU B 43 14.757 -7.514 -1.907 1.00 0.00 H new ATOM 0 HG LEU B 43 16.412 -5.745 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU B 43 15.818 -4.218 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU B 43 16.196 -5.855 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU B 43 14.503 -5.317 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU B 43 14.826 -3.878 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU B 43 13.472 -4.975 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU B 43 14.487 -5.256 -1.127 1.00 0.00 H new ATOM 1825 N ASN B 44 15.308 -10.621 -3.732 1.00 0.00 N ATOM 1826 CA ASN B 44 15.064 -11.999 -3.289 1.00 0.00 C ATOM 1827 C ASN B 44 13.758 -12.076 -2.493 1.00 0.00 C ATOM 1828 O ASN B 44 13.502 -13.029 -1.762 1.00 0.00 O ATOM 1829 CB ASN B 44 16.251 -12.517 -2.459 1.00 0.00 C ATOM 1830 CG ASN B 44 16.411 -14.036 -2.469 1.00 0.00 C ATOM 1831 OD1 ASN B 44 17.531 -14.545 -2.490 1.00 0.00 O ATOM 1832 ND2 ASN B 44 15.315 -14.773 -2.413 1.00 0.00 N ATOM 0 H ASN B 44 15.186 -10.485 -4.735 1.00 0.00 H new ATOM 0 HA ASN B 44 14.965 -12.638 -4.166 1.00 0.00 H new ATOM 0 HB2 ASN B 44 17.168 -12.065 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN B 44 16.132 -12.183 -1.428 1.00 0.00 H new ATOM 0 HD21 ASN B 44 15.385 -15.790 -2.386 1.00 0.00 H new ATOM 0 HD22 ASN B 44 14.399 -14.324 -2.397 1.00 0.00 H new ATOM 1839 N ILE B 45 12.922 -11.071 -2.663 1.00 0.00 N ATOM 1840 CA ILE B 45 11.630 -11.038 -2.007 1.00 0.00 C ATOM 1841 C ILE B 45 10.587 -11.666 -2.913 1.00 0.00 C ATOM 1842 O ILE B 45 9.825 -10.977 -3.585 1.00 0.00 O ATOM 1843 CB ILE B 45 11.207 -9.605 -1.640 1.00 0.00 C ATOM 1844 CG1 ILE B 45 12.304 -8.930 -0.814 1.00 0.00 C ATOM 1845 CG2 ILE B 45 9.888 -9.618 -0.872 1.00 0.00 C ATOM 1846 CD1 ILE B 45 12.019 -7.480 -0.494 1.00 0.00 C ATOM 0 H ILE B 45 13.116 -10.262 -3.253 1.00 0.00 H new ATOM 0 HA ILE B 45 11.711 -11.604 -1.079 1.00 0.00 H new ATOM 0 HB ILE B 45 11.061 -9.036 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE B 45 12.435 -9.480 0.118 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.247 -8.994 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE B 45 9.603 -8.596 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE B 45 9.112 -10.069 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE B 45 10.006 -10.198 0.043 1.00 0.00 H new ATOM 0 HD11 ILE B 45 12.840 -7.069 0.093 1.00 0.00 H new ATOM 0 HD12 ILE B 45 11.918 -6.916 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE B 45 11.093 -7.409 0.077 1.00 0.00 H new ATOM 1858 N MET B 46 10.591 -12.984 -2.957 1.00 0.00 N ATOM 1859 CA MET B 46 9.684 -13.721 -3.821 1.00 0.00 C ATOM 1860 C MET B 46 8.330 -13.876 -3.151 1.00 0.00 C ATOM 1861 O MET B 46 7.357 -14.279 -3.788 1.00 0.00 O ATOM 1862 CB MET B 46 10.272 -15.089 -4.154 1.00 0.00 C ATOM 1863 CG MET B 46 11.638 -15.026 -4.821 1.00 0.00 C ATOM 1864 SD MET B 46 11.566 -14.875 -6.623 1.00 0.00 S ATOM 1865 CE MET B 46 10.849 -13.246 -6.842 1.00 0.00 C ATOM 0 H MET B 46 11.215 -13.570 -2.402 1.00 0.00 H new ATOM 0 HA MET B 46 9.550 -13.164 -4.748 1.00 0.00 H new ATOM 0 HB2 MET B 46 10.353 -15.672 -3.237 1.00 0.00 H new ATOM 0 HB3 MET B 46 9.582 -15.620 -4.810 1.00 0.00 H new ATOM 0 HG2 MET B 46 12.190 -14.178 -4.417 1.00 0.00 H new ATOM 0 HG3 MET B 46 12.199 -15.924 -4.563 1.00 0.00 H new ATOM 0 HE1 MET B 46 11.187 -12.824 -7.788 1.00 0.00 H new ATOM 0 HE2 MET B 46 9.762 -13.325 -6.848 1.00 0.00 H new ATOM 0 HE3 MET B 46 11.161 -12.598 -6.023 1.00 0.00 H new ATOM 1875 N ASP B 47 8.293 -13.532 -1.866 1.00 0.00 N ATOM 1876 CA ASP B 47 7.079 -13.568 -1.054 1.00 0.00 C ATOM 1877 C ASP B 47 5.950 -12.818 -1.754 1.00 0.00 C ATOM 1878 O ASP B 47 5.934 -11.594 -1.777 1.00 0.00 O ATOM 1879 CB ASP B 47 7.344 -12.892 0.292 1.00 0.00 C ATOM 1880 CG ASP B 47 8.511 -13.466 1.063 1.00 0.00 C ATOM 1881 OD1 ASP B 47 8.686 -14.699 1.070 1.00 0.00 O ATOM 1882 OD2 ASP B 47 9.257 -12.669 1.678 1.00 0.00 O ATOM 0 H ASP B 47 9.116 -13.216 -1.353 1.00 0.00 H new ATOM 0 HA ASP B 47 6.792 -14.609 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP B 47 7.524 -11.831 0.122 1.00 0.00 H new ATOM 0 HB3 ASP B 47 6.446 -12.969 0.906 1.00 0.00 H new ATOM 1887 N PRO B 48 4.976 -13.558 -2.308 1.00 0.00 N ATOM 1888 CA PRO B 48 3.926 -13.000 -3.172 1.00 0.00 C ATOM 1889 C PRO B 48 3.071 -11.931 -2.501 1.00 0.00 C ATOM 1890 O PRO B 48 2.854 -10.861 -3.071 1.00 0.00 O ATOM 1891 CB PRO B 48 3.064 -14.212 -3.529 1.00 0.00 C ATOM 1892 CG PRO B 48 3.932 -15.390 -3.280 1.00 0.00 C ATOM 1893 CD PRO B 48 4.818 -15.011 -2.136 1.00 0.00 C ATOM 0 HA PRO B 48 4.368 -12.492 -4.029 1.00 0.00 H new ATOM 0 HB2 PRO B 48 2.163 -14.249 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO B 48 2.741 -14.173 -4.569 1.00 0.00 H new ATOM 0 HG2 PRO B 48 3.336 -16.270 -3.038 1.00 0.00 H new ATOM 0 HG3 PRO B 48 4.520 -15.636 -4.164 1.00 0.00 H new ATOM 0 HD2 PRO B 48 4.365 -15.257 -1.176 1.00 0.00 H new ATOM 0 HD3 PRO B 48 5.776 -15.529 -2.178 1.00 0.00 H new ATOM 1901 N GLN B 49 2.570 -12.217 -1.307 1.00 0.00 N ATOM 1902 CA GLN B 49 1.748 -11.252 -0.585 1.00 0.00 C ATOM 1903 C GLN B 49 2.596 -10.089 -0.113 1.00 0.00 C ATOM 1904 O GLN B 49 2.165 -8.941 -0.136 1.00 0.00 O ATOM 1905 CB GLN B 49 1.050 -11.902 0.606 1.00 0.00 C ATOM 1906 CG GLN B 49 -0.126 -12.781 0.223 1.00 0.00 C ATOM 1907 CD GLN B 49 -0.802 -13.404 1.427 1.00 0.00 C ATOM 1908 OE1 GLN B 49 -0.433 -14.488 1.873 1.00 0.00 O ATOM 1909 NE2 GLN B 49 -1.800 -12.723 1.962 1.00 0.00 N ATOM 0 H GLN B 49 2.716 -13.101 -0.820 1.00 0.00 H new ATOM 0 HA GLN B 49 0.984 -10.885 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN B 49 1.775 -12.501 1.157 1.00 0.00 H new ATOM 0 HB3 GLN B 49 0.702 -11.121 1.282 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -0.853 -12.188 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN B 49 0.217 -13.570 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -2.077 -11.826 1.563 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -2.293 -13.094 2.774 1.00 0.00 H new ATOM 1918 N HIS B 50 3.818 -10.391 0.284 1.00 0.00 N ATOM 1919 CA HIS B 50 4.729 -9.369 0.777 1.00 0.00 C ATOM 1920 C HIS B 50 5.104 -8.434 -0.359 1.00 0.00 C ATOM 1921 O HIS B 50 5.192 -7.222 -0.178 1.00 0.00 O ATOM 1922 CB HIS B 50 5.978 -10.008 1.380 1.00 0.00 C ATOM 1923 CG HIS B 50 5.695 -10.916 2.547 1.00 0.00 C ATOM 1924 ND1 HIS B 50 6.677 -11.431 3.370 1.00 0.00 N ATOM 1925 CD2 HIS B 50 4.524 -11.403 3.024 1.00 0.00 C ATOM 1926 CE1 HIS B 50 6.120 -12.189 4.295 1.00 0.00 C ATOM 1927 NE2 HIS B 50 4.817 -12.188 4.107 1.00 0.00 N ATOM 0 H HIS B 50 4.205 -11.335 0.276 1.00 0.00 H new ATOM 0 HA HIS B 50 4.232 -8.797 1.561 1.00 0.00 H new ATOM 0 HB2 HIS B 50 6.493 -10.577 0.606 1.00 0.00 H new ATOM 0 HB3 HIS B 50 6.658 -9.220 1.702 1.00 0.00 H new ATOM 0 HD1 HIS B 50 7.677 -11.253 3.277 1.00 0.00 H new ATOM 0 HD2 HIS B 50 3.540 -11.208 2.624 1.00 0.00 H new ATOM 0 HE1 HIS B 50 6.645 -12.721 5.075 1.00 0.00 H new ATOM 1936 N ARG B 51 5.316 -9.021 -1.532 1.00 0.00 N ATOM 1937 CA ARG B 51 5.500 -8.267 -2.763 1.00 0.00 C ATOM 1938 C ARG B 51 4.325 -7.343 -2.987 1.00 0.00 C ATOM 1939 O ARG B 51 4.490 -6.142 -3.182 1.00 0.00 O ATOM 1940 CB ARG B 51 5.617 -9.219 -3.953 1.00 0.00 C ATOM 1941 CG ARG B 51 6.970 -9.885 -4.085 1.00 0.00 C ATOM 1942 CD ARG B 51 6.869 -11.204 -4.829 1.00 0.00 C ATOM 1943 NE ARG B 51 6.119 -11.093 -6.077 1.00 0.00 N ATOM 1944 CZ ARG B 51 5.676 -12.144 -6.766 1.00 0.00 C ATOM 1945 NH1 ARG B 51 5.917 -13.377 -6.329 1.00 0.00 N ATOM 1946 NH2 ARG B 51 4.990 -11.964 -7.888 1.00 0.00 N ATOM 0 H ARG B 51 5.365 -10.032 -1.654 1.00 0.00 H new ATOM 0 HA ARG B 51 6.415 -7.681 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG B 51 4.852 -9.990 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG B 51 5.406 -8.666 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG B 51 7.654 -9.220 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG B 51 7.391 -10.056 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG B 51 7.872 -11.572 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG B 51 6.390 -11.943 -4.187 1.00 0.00 H new ATOM 0 HE ARG B 51 5.924 -10.160 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG B 51 6.441 -13.519 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG B 51 5.577 -14.181 -6.857 1.00 0.00 H new ATOM 0 HH21 ARG B 51 4.801 -11.020 -8.224 1.00 0.00 H new ATOM 0 HH22 ARG B 51 4.652 -12.770 -8.414 1.00 0.00 H new ATOM 1960 N ALA B 52 3.138 -7.927 -2.934 1.00 0.00 N ATOM 1961 CA ALA B 52 1.905 -7.203 -3.154 1.00 0.00 C ATOM 1962 C ALA B 52 1.814 -5.980 -2.244 1.00 0.00 C ATOM 1963 O ALA B 52 1.427 -4.897 -2.683 1.00 0.00 O ATOM 1964 CB ALA B 52 0.735 -8.143 -2.929 1.00 0.00 C ATOM 0 H ALA B 52 3.007 -8.919 -2.736 1.00 0.00 H new ATOM 0 HA ALA B 52 1.880 -6.838 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -0.200 -7.606 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA B 52 0.800 -8.979 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA B 52 0.763 -8.520 -1.907 1.00 0.00 H new ATOM 1970 N LYS B 53 2.197 -6.153 -0.984 1.00 0.00 N ATOM 1971 CA LYS B 53 2.181 -5.056 -0.024 1.00 0.00 C ATOM 1972 C LYS B 53 3.238 -4.012 -0.365 1.00 0.00 C ATOM 1973 O LYS B 53 2.928 -2.830 -0.507 1.00 0.00 O ATOM 1974 CB LYS B 53 2.401 -5.571 1.398 1.00 0.00 C ATOM 1975 CG LYS B 53 1.440 -6.681 1.783 1.00 0.00 C ATOM 1976 CD LYS B 53 1.297 -6.845 3.288 1.00 0.00 C ATOM 1977 CE LYS B 53 0.290 -5.862 3.861 1.00 0.00 C ATOM 1978 NZ LYS B 53 0.049 -6.098 5.308 1.00 0.00 N ATOM 0 H LYS B 53 2.522 -7.042 -0.604 1.00 0.00 H new ATOM 0 HA LYS B 53 1.198 -4.587 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS B 53 3.424 -5.935 1.492 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.291 -4.744 2.099 1.00 0.00 H new ATOM 0 HG2 LYS B 53 0.461 -6.473 1.351 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.786 -7.620 1.352 1.00 0.00 H new ATOM 0 HD2 LYS B 53 0.983 -7.864 3.516 1.00 0.00 H new ATOM 0 HD3 LYS B 53 2.265 -6.695 3.765 1.00 0.00 H new ATOM 0 HE2 LYS B 53 0.652 -4.844 3.714 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -0.651 -5.947 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -0.801 -5.579 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -0.089 -7.115 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 0.868 -5.765 5.855 1.00 0.00 H new ATOM 1992 N LEU B 54 4.481 -4.459 -0.510 1.00 0.00 N ATOM 1993 CA LEU B 54 5.601 -3.570 -0.808 1.00 0.00 C ATOM 1994 C LEU B 54 5.333 -2.743 -2.061 1.00 0.00 C ATOM 1995 O LEU B 54 5.601 -1.541 -2.096 1.00 0.00 O ATOM 1996 CB LEU B 54 6.878 -4.388 -0.987 1.00 0.00 C ATOM 1997 CG LEU B 54 7.380 -5.086 0.277 1.00 0.00 C ATOM 1998 CD1 LEU B 54 8.479 -6.075 -0.060 1.00 0.00 C ATOM 1999 CD2 LEU B 54 7.879 -4.065 1.282 1.00 0.00 C ATOM 0 H LEU B 54 4.741 -5.442 -0.425 1.00 0.00 H new ATOM 0 HA LEU B 54 5.722 -2.883 0.030 1.00 0.00 H new ATOM 0 HB2 LEU B 54 6.704 -5.141 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU B 54 7.664 -3.730 -1.357 1.00 0.00 H new ATOM 0 HG LEU B 54 6.548 -5.633 0.720 1.00 0.00 H new ATOM 0 HD11 LEU B 54 8.823 -6.561 0.853 1.00 0.00 H new ATOM 0 HD12 LEU B 54 8.093 -6.827 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU B 54 9.312 -5.549 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU B 54 8.233 -4.578 2.176 1.00 0.00 H new ATOM 0 HD22 LEU B 54 8.697 -3.493 0.844 1.00 0.00 H new ATOM 0 HD23 LEU B 54 7.066 -3.390 1.549 1.00 0.00 H new ATOM 2011 N LEU B 55 4.789 -3.396 -3.079 1.00 0.00 N ATOM 2012 CA LEU B 55 4.463 -2.733 -4.335 1.00 0.00 C ATOM 2013 C LEU B 55 3.404 -1.669 -4.114 1.00 0.00 C ATOM 2014 O LEU B 55 3.557 -0.538 -4.553 1.00 0.00 O ATOM 2015 CB LEU B 55 3.970 -3.754 -5.365 1.00 0.00 C ATOM 2016 CG LEU B 55 5.052 -4.546 -6.116 1.00 0.00 C ATOM 2017 CD1 LEU B 55 6.369 -4.559 -5.360 1.00 0.00 C ATOM 2018 CD2 LEU B 55 4.580 -5.969 -6.357 1.00 0.00 C ATOM 0 H LEU B 55 4.563 -4.390 -3.059 1.00 0.00 H new ATOM 0 HA LEU B 55 5.366 -2.256 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU B 55 3.318 -4.464 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU B 55 3.359 -3.230 -6.100 1.00 0.00 H new ATOM 0 HG LEU B 55 5.222 -4.049 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU B 55 7.107 -5.129 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU B 55 6.723 -3.537 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU B 55 6.223 -5.021 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU B 55 5.353 -6.523 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU B 55 4.380 -6.453 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU B 55 3.668 -5.954 -6.954 1.00 0.00 H new ATOM 2030 N THR B 56 2.344 -2.036 -3.407 1.00 0.00 N ATOM 2031 CA THR B 56 1.246 -1.119 -3.134 1.00 0.00 C ATOM 2032 C THR B 56 1.726 0.083 -2.337 1.00 0.00 C ATOM 2033 O THR B 56 1.318 1.219 -2.592 1.00 0.00 O ATOM 2034 CB THR B 56 0.135 -1.823 -2.352 1.00 0.00 C ATOM 2035 OG1 THR B 56 -0.280 -2.977 -3.072 1.00 0.00 O ATOM 2036 CG2 THR B 56 -1.053 -0.906 -2.136 1.00 0.00 C ATOM 0 H THR B 56 2.221 -2.968 -3.010 1.00 0.00 H new ATOM 0 HA THR B 56 0.857 -0.780 -4.094 1.00 0.00 H new ATOM 0 HB THR B 56 0.525 -2.106 -1.374 1.00 0.00 H new ATOM 0 HG1 THR B 56 0.380 -3.691 -2.953 1.00 0.00 H new ATOM 0 HG21 THR B 56 -1.825 -1.436 -1.578 1.00 0.00 H new ATOM 0 HG22 THR B 56 -0.737 -0.027 -1.574 1.00 0.00 H new ATOM 0 HG23 THR B 56 -1.453 -0.595 -3.101 1.00 0.00 H new ATOM 2044 N ALA B 57 2.590 -0.180 -1.369 1.00 0.00 N ATOM 2045 CA ALA B 57 3.180 0.876 -0.579 1.00 0.00 C ATOM 2046 C ALA B 57 3.931 1.839 -1.482 1.00 0.00 C ATOM 2047 O ALA B 57 3.740 3.049 -1.407 1.00 0.00 O ATOM 2048 CB ALA B 57 4.095 0.292 0.482 1.00 0.00 C ATOM 0 H ALA B 57 2.895 -1.120 -1.115 1.00 0.00 H new ATOM 0 HA ALA B 57 2.389 1.429 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA B 57 4.532 1.099 1.070 1.00 0.00 H new ATOM 0 HB2 ALA B 57 3.521 -0.364 1.137 1.00 0.00 H new ATOM 0 HB3 ALA B 57 4.890 -0.280 0.003 1.00 0.00 H new ATOM 2054 N ALA B 58 4.750 1.290 -2.365 1.00 0.00 N ATOM 2055 CA ALA B 58 5.507 2.096 -3.311 1.00 0.00 C ATOM 2056 C ALA B 58 4.583 2.849 -4.263 1.00 0.00 C ATOM 2057 O ALA B 58 4.834 4.009 -4.593 1.00 0.00 O ATOM 2058 CB ALA B 58 6.462 1.218 -4.088 1.00 0.00 C ATOM 0 H ALA B 58 4.908 0.286 -2.447 1.00 0.00 H new ATOM 0 HA ALA B 58 6.077 2.835 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA B 58 7.025 1.829 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.152 0.731 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.899 0.460 -4.632 1.00 0.00 H new ATOM 2064 N GLU B 59 3.523 2.177 -4.705 1.00 0.00 N ATOM 2065 CA GLU B 59 2.524 2.784 -5.577 1.00 0.00 C ATOM 2066 C GLU B 59 1.945 4.033 -4.929 1.00 0.00 C ATOM 2067 O GLU B 59 1.978 5.124 -5.503 1.00 0.00 O ATOM 2068 CB GLU B 59 1.390 1.795 -5.868 1.00 0.00 C ATOM 2069 CG GLU B 59 1.804 0.591 -6.695 1.00 0.00 C ATOM 2070 CD GLU B 59 2.302 0.964 -8.075 1.00 0.00 C ATOM 2071 OE1 GLU B 59 1.468 1.300 -8.942 1.00 0.00 O ATOM 2072 OE2 GLU B 59 3.525 0.905 -8.307 1.00 0.00 O ATOM 0 H GLU B 59 3.334 1.203 -4.470 1.00 0.00 H new ATOM 0 HA GLU B 59 3.013 3.054 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.977 1.446 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU B 59 0.590 2.321 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU B 59 2.587 0.047 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.955 -0.086 -6.792 1.00 0.00 H new ATOM 2079 N LEU B 60 1.431 3.868 -3.720 1.00 0.00 N ATOM 2080 CA LEU B 60 0.820 4.967 -3.001 1.00 0.00 C ATOM 2081 C LEU B 60 1.841 6.030 -2.632 1.00 0.00 C ATOM 2082 O LEU B 60 1.594 7.201 -2.836 1.00 0.00 O ATOM 2083 CB LEU B 60 0.099 4.472 -1.750 1.00 0.00 C ATOM 2084 CG LEU B 60 -1.387 4.166 -1.934 1.00 0.00 C ATOM 2085 CD1 LEU B 60 -1.601 3.116 -3.009 1.00 0.00 C ATOM 2086 CD2 LEU B 60 -1.987 3.721 -0.619 1.00 0.00 C ATOM 0 H LEU B 60 1.427 2.980 -3.218 1.00 0.00 H new ATOM 0 HA LEU B 60 0.087 5.419 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU B 60 0.598 3.570 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU B 60 0.205 5.224 -0.968 1.00 0.00 H new ATOM 0 HG LEU B 60 -1.890 5.076 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -2.667 2.919 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -1.201 3.478 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -1.089 2.196 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -3.046 3.505 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -1.476 2.824 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -1.872 4.514 0.120 1.00 0.00 H new ATOM 2098 N LEU B 61 2.994 5.624 -2.115 1.00 0.00 N ATOM 2099 CA LEU B 61 4.019 6.576 -1.678 1.00 0.00 C ATOM 2100 C LEU B 61 4.497 7.473 -2.816 1.00 0.00 C ATOM 2101 O LEU B 61 5.059 8.540 -2.578 1.00 0.00 O ATOM 2102 CB LEU B 61 5.211 5.840 -1.079 1.00 0.00 C ATOM 2103 CG LEU B 61 4.959 5.189 0.276 1.00 0.00 C ATOM 2104 CD1 LEU B 61 6.154 4.352 0.680 1.00 0.00 C ATOM 2105 CD2 LEU B 61 4.664 6.242 1.332 1.00 0.00 C ATOM 0 H LEU B 61 3.247 4.644 -1.986 1.00 0.00 H new ATOM 0 HA LEU B 61 3.558 7.210 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU B 61 5.531 5.069 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU B 61 6.038 6.543 -0.978 1.00 0.00 H new ATOM 0 HG LEU B 61 4.088 4.540 0.193 1.00 0.00 H new ATOM 0 HD11 LEU B 61 5.964 3.891 1.649 1.00 0.00 H new ATOM 0 HD12 LEU B 61 6.322 3.574 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU B 61 7.037 4.987 0.747 1.00 0.00 H new ATOM 0 HD21 LEU B 61 4.487 5.756 2.291 1.00 0.00 H new ATOM 0 HD22 LEU B 61 5.515 6.918 1.419 1.00 0.00 H new ATOM 0 HD23 LEU B 61 3.778 6.808 1.044 1.00 0.00 H new ATOM 2117 N LEU B 62 4.285 7.036 -4.046 1.00 0.00 N ATOM 2118 CA LEU B 62 4.686 7.814 -5.203 1.00 0.00 C ATOM 2119 C LEU B 62 3.732 8.987 -5.425 1.00 0.00 C ATOM 2120 O LEU B 62 4.118 10.017 -5.979 1.00 0.00 O ATOM 2121 CB LEU B 62 4.739 6.917 -6.439 1.00 0.00 C ATOM 2122 CG LEU B 62 5.331 7.560 -7.693 1.00 0.00 C ATOM 2123 CD1 LEU B 62 6.747 8.050 -7.430 1.00 0.00 C ATOM 2124 CD2 LEU B 62 5.318 6.568 -8.844 1.00 0.00 C ATOM 0 H LEU B 62 3.837 6.147 -4.268 1.00 0.00 H new ATOM 0 HA LEU B 62 5.680 8.222 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU B 62 5.323 6.029 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU B 62 3.727 6.581 -6.667 1.00 0.00 H new ATOM 0 HG LEU B 62 4.719 8.420 -7.963 1.00 0.00 H new ATOM 0 HD11 LEU B 62 7.149 8.504 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU B 62 6.733 8.789 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU B 62 7.375 7.208 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU B 62 5.742 7.036 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU B 62 5.911 5.693 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU B 62 4.292 6.262 -9.049 1.00 0.00 H new ATOM 2136 N ASP B 63 2.490 8.826 -4.985 1.00 0.00 N ATOM 2137 CA ASP B 63 1.481 9.876 -5.133 1.00 0.00 C ATOM 2138 C ASP B 63 1.113 10.499 -3.790 1.00 0.00 C ATOM 2139 O ASP B 63 0.818 11.689 -3.701 1.00 0.00 O ATOM 2140 CB ASP B 63 0.218 9.315 -5.786 1.00 0.00 C ATOM 2141 CG ASP B 63 0.384 9.062 -7.268 1.00 0.00 C ATOM 2142 OD1 ASP B 63 0.453 10.042 -8.036 1.00 0.00 O ATOM 2143 OD2 ASP B 63 0.415 7.885 -7.674 1.00 0.00 O ATOM 0 H ASP B 63 2.154 7.981 -4.523 1.00 0.00 H new ATOM 0 HA ASP B 63 1.914 10.650 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -0.057 8.383 -5.292 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -0.605 10.013 -5.632 1.00 0.00 H new ATOM 2148 N TYR B 64 1.137 9.682 -2.755 1.00 0.00 N ATOM 2149 CA TYR B 64 0.676 10.068 -1.430 1.00 0.00 C ATOM 2150 C TYR B 64 1.846 10.292 -0.481 1.00 0.00 C ATOM 2151 O TYR B 64 1.793 9.907 0.681 1.00 0.00 O ATOM 2152 CB TYR B 64 -0.231 8.976 -0.862 1.00 0.00 C ATOM 2153 CG TYR B 64 -1.503 8.761 -1.645 1.00 0.00 C ATOM 2154 CD1 TYR B 64 -2.637 9.511 -1.374 1.00 0.00 C ATOM 2155 CD2 TYR B 64 -1.569 7.807 -2.648 1.00 0.00 C ATOM 2156 CE1 TYR B 64 -3.802 9.318 -2.083 1.00 0.00 C ATOM 2157 CE2 TYR B 64 -2.729 7.607 -3.362 1.00 0.00 C ATOM 2158 CZ TYR B 64 -3.845 8.364 -3.077 1.00 0.00 C ATOM 2159 OH TYR B 64 -5.005 8.161 -3.783 1.00 0.00 O ATOM 0 H TYR B 64 1.479 8.723 -2.808 1.00 0.00 H new ATOM 0 HA TYR B 64 0.124 11.003 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.325 8.039 -0.828 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.489 9.231 0.166 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.606 10.258 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.697 7.211 -2.873 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.677 9.911 -1.861 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -2.764 6.861 -4.142 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.275 8.997 -4.217 1.00 0.00 H new ATOM 2169 N ASP B 65 2.890 10.932 -0.967 1.00 0.00 N ATOM 2170 CA ASP B 65 4.088 11.172 -0.163 1.00 0.00 C ATOM 2171 C ASP B 65 3.909 12.376 0.765 1.00 0.00 C ATOM 2172 O ASP B 65 4.840 13.156 0.977 1.00 0.00 O ATOM 2173 CB ASP B 65 5.295 11.386 -1.075 1.00 0.00 C ATOM 2174 CG ASP B 65 5.166 12.623 -1.941 1.00 0.00 C ATOM 2175 OD1 ASP B 65 4.209 12.698 -2.740 1.00 0.00 O ATOM 2176 OD2 ASP B 65 6.038 13.513 -1.852 1.00 0.00 O ATOM 0 H ASP B 65 2.940 11.299 -1.917 1.00 0.00 H new ATOM 0 HA ASP B 65 4.256 10.293 0.460 1.00 0.00 H new ATOM 0 HB2 ASP B 65 6.195 11.467 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP B 65 5.421 10.512 -1.714 1.00 0.00 H new ATOM 2181 N THR B 66 2.710 12.496 1.332 1.00 0.00 N ATOM 2182 CA THR B 66 2.340 13.605 2.215 1.00 0.00 C ATOM 2183 C THR B 66 2.719 14.967 1.629 1.00 0.00 C ATOM 2184 O THR B 66 3.074 15.893 2.353 1.00 0.00 O ATOM 2185 CB THR B 66 2.939 13.456 3.635 1.00 0.00 C ATOM 2186 OG1 THR B 66 4.313 13.055 3.577 1.00 0.00 O ATOM 2187 CG2 THR B 66 2.145 12.447 4.448 1.00 0.00 C ATOM 0 H THR B 66 1.959 11.820 1.191 1.00 0.00 H new ATOM 0 HA THR B 66 1.254 13.560 2.299 1.00 0.00 H new ATOM 0 HB THR B 66 2.882 14.430 4.121 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.726 13.420 2.767 1.00 0.00 H new ATOM 0 HG21 THR B 66 2.582 12.357 5.443 1.00 0.00 H new ATOM 0 HG22 THR B 66 1.111 12.782 4.535 1.00 0.00 H new ATOM 0 HG23 THR B 66 2.171 11.477 3.951 1.00 0.00 H new ATOM 2195 N GLY B 67 2.606 15.090 0.315 1.00 0.00 N ATOM 2196 CA GLY B 67 2.946 16.332 -0.349 1.00 0.00 C ATOM 2197 C GLY B 67 1.735 17.213 -0.548 1.00 0.00 C ATOM 2198 O GLY B 67 1.676 17.995 -1.500 1.00 0.00 O ATOM 0 H GLY B 67 2.283 14.348 -0.306 1.00 0.00 H new ATOM 0 HA2 GLY B 67 3.691 16.867 0.240 1.00 0.00 H new ATOM 0 HA3 GLY B 67 3.400 16.115 -1.316 1.00 0.00 H new ATOM 2202 N CYS B 68 0.770 17.074 0.361 1.00 0.00 N ATOM 2203 CA CYS B 68 -0.486 17.820 0.315 1.00 0.00 C ATOM 2204 C CYS B 68 -1.333 17.418 -0.892 1.00 0.00 C ATOM 2205 O CYS B 68 -0.831 16.847 -1.865 1.00 0.00 O ATOM 2206 CB CYS B 68 -0.213 19.323 0.302 1.00 0.00 C ATOM 2207 SG CYS B 68 0.771 19.905 1.721 1.00 0.00 S ATOM 0 H CYS B 68 0.839 16.437 1.154 1.00 0.00 H new ATOM 0 HA CYS B 68 -1.053 17.574 1.213 1.00 0.00 H new ATOM 0 HB2 CYS B 68 0.309 19.580 -0.620 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -1.164 19.855 0.289 1.00 0.00 H new ATOM 2212 N GLU B 69 -2.625 17.686 -0.812 1.00 0.00 N ATOM 2213 CA GLU B 69 -3.529 17.401 -1.912 1.00 0.00 C ATOM 2214 C GLU B 69 -3.725 18.646 -2.774 1.00 0.00 C ATOM 2215 O GLU B 69 -4.618 19.462 -2.468 1.00 0.00 O ATOM 2216 CB GLU B 69 -4.872 16.870 -1.389 1.00 0.00 C ATOM 2217 CG GLU B 69 -5.455 17.666 -0.229 1.00 0.00 C ATOM 2218 CD GLU B 69 -6.872 17.250 0.101 1.00 0.00 C ATOM 2219 OE1 GLU B 69 -7.810 17.809 -0.505 1.00 0.00 O ATOM 2220 OE2 GLU B 69 -7.057 16.358 0.957 1.00 0.00 O ATOM 2221 OXT GLU B 69 -2.964 18.819 -3.750 1.00 0.00 O ATOM 0 H GLU B 69 -3.072 18.101 0.005 1.00 0.00 H new ATOM 0 HA GLU B 69 -3.085 16.624 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -5.591 16.866 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -4.742 15.835 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -4.826 17.534 0.651 1.00 0.00 H new ATOM 0 HG3 GLU B 69 -5.439 18.728 -0.476 1.00 0.00 H new TER 2228 GLU B 69