USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 82 GLN :FLIP amide:sc= -2.29 F(o=-3.6!,f=-2.3) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 66 THR OG1 : rot -17:sc= 0.936 USER MOD Set 2.2: A 121 TYR OH : rot 2:sc= -0.799! USER MOD Set 3.1: A 63 TYR OH : rot -68:sc= 0.386 USER MOD Set 3.2: A 120 LYS NZ :NH3+ 136:sc= 0.603 (180deg=-0.58!) USER MOD Single : A 35 MET CE :methyl -114:sc= 0 (180deg=-0.298) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -154:sc= -0.188 (180deg=-1.79) USER MOD Single : A 60 ASN : amide:sc= -3.78! C(o=-3.8!,f=-5.2!) USER MOD Single : A 62 ASN : amide:sc= -0.963! C(o=-0.96!,f=-7.7!) USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00636) USER MOD Single : A 77 GLN : amide:sc= -3.66! C(o=-3.7!,f=-5.9!) USER MOD Single : A 78 MET CE :methyl -170:sc= -3.41! (180deg=-4.21!) USER MOD Single : A 80 ASN : amide:sc= 0.00885 X(o=0.0089,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -176:sc= -0.888 (180deg=-0.903) USER MOD Single : A 93 SER OG : rot 87:sc= 0.361! USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -5.3! C(o=-5.3!,f=-13!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= -1.06! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 91:sc= -0.235! USER MOD Single : A 125 GLN : amide:sc= 1.14 K(o=1.1,f=-0.29) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 NAG O3 : rot 180:sc= 0 USER MOD Single : A 135 NAG O4 : rot 150:sc= -0.0182 USER MOD Single : A 135 NAG O6 : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -7.671 -13.611 7.790 1.00 0.00 N ATOM 2 CA GLY A 29 -8.169 -12.279 8.232 1.00 0.00 C ATOM 3 C GLY A 29 -7.308 -11.173 7.627 1.00 0.00 C ATOM 4 O GLY A 29 -7.349 -10.031 8.085 1.00 0.00 O ATOM 0 HA2 GLY A 29 -9.208 -12.150 7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.146 -12.215 9.320 1.00 0.00 H new ATOM 10 N LEU A 30 -6.536 -11.507 6.594 1.00 0.00 N ATOM 11 CA LEU A 30 -5.687 -10.508 5.949 1.00 0.00 C ATOM 12 C LEU A 30 -6.034 -10.363 4.469 1.00 0.00 C ATOM 13 O LEU A 30 -6.679 -11.230 3.877 1.00 0.00 O ATOM 14 CB LEU A 30 -4.204 -10.873 6.083 1.00 0.00 C ATOM 15 CG LEU A 30 -4.042 -12.314 6.566 1.00 0.00 C ATOM 16 CD1 LEU A 30 -4.415 -13.275 5.438 1.00 0.00 C ATOM 17 CD2 LEU A 30 -2.581 -12.537 6.967 1.00 0.00 C ATOM 0 H LEU A 30 -6.481 -12.443 6.192 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.869 -9.559 6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.706 -10.749 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.719 -10.193 6.784 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.694 -12.496 7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.299 -14.303 5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.451 -13.105 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.761 -13.103 4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.451 -13.562 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.936 -12.361 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.314 -11.847 7.767 1.00 0.00 H new ATOM 29 N PRO A 31 -5.607 -9.280 3.877 1.00 0.00 N ATOM 30 CA PRO A 31 -5.855 -8.984 2.434 1.00 0.00 C ATOM 31 C PRO A 31 -5.032 -9.878 1.503 1.00 0.00 C ATOM 32 O PRO A 31 -5.472 -10.966 1.130 1.00 0.00 O ATOM 33 CB PRO A 31 -5.441 -7.518 2.288 1.00 0.00 C ATOM 34 CG PRO A 31 -4.471 -7.262 3.394 1.00 0.00 C ATOM 35 CD PRO A 31 -4.840 -8.210 4.532 1.00 0.00 C ATOM 0 HA PRO A 31 -6.892 -9.171 2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.984 -7.335 1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.305 -6.857 2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.449 -7.438 3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.524 -6.224 3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.952 -8.603 5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.433 -7.705 5.295 1.00 0.00 H new ATOM 43 N PHE A 32 -3.842 -9.410 1.126 1.00 0.00 N ATOM 44 CA PHE A 32 -2.978 -10.178 0.233 1.00 0.00 C ATOM 45 C PHE A 32 -2.250 -11.280 1.002 1.00 0.00 C ATOM 46 O PHE A 32 -1.729 -12.221 0.406 1.00 0.00 O ATOM 47 CB PHE A 32 -1.966 -9.251 -0.446 1.00 0.00 C ATOM 48 CG PHE A 32 -1.041 -8.655 0.588 1.00 0.00 C ATOM 49 CD1 PHE A 32 -1.421 -7.502 1.287 1.00 0.00 C ATOM 50 CD2 PHE A 32 0.198 -9.252 0.843 1.00 0.00 C ATOM 51 CE1 PHE A 32 -0.560 -6.945 2.242 1.00 0.00 C ATOM 52 CE2 PHE A 32 1.058 -8.696 1.797 1.00 0.00 C ATOM 53 CZ PHE A 32 0.679 -7.541 2.496 1.00 0.00 C ATOM 0 H PHE A 32 -3.458 -8.512 1.422 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.599 -10.645 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.389 -9.807 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.488 -8.457 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.378 -7.042 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.491 -10.141 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.853 -6.056 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.014 -9.157 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.344 -7.112 3.231 1.00 0.00 H new ATOM 63 N GLY A 33 -2.252 -11.171 2.329 1.00 0.00 N ATOM 64 CA GLY A 33 -1.622 -12.179 3.180 1.00 0.00 C ATOM 65 C GLY A 33 -0.107 -12.260 2.997 1.00 0.00 C ATOM 66 O GLY A 33 0.636 -12.278 3.976 1.00 0.00 O ATOM 0 H GLY A 33 -2.681 -10.398 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.844 -11.954 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.060 -13.153 2.963 1.00 0.00 H new ATOM 70 N LEU A 34 0.349 -12.338 1.752 1.00 0.00 N ATOM 71 CA LEU A 34 1.781 -12.451 1.483 1.00 0.00 C ATOM 72 C LEU A 34 2.085 -12.051 0.045 1.00 0.00 C ATOM 73 O LEU A 34 1.575 -12.658 -0.897 1.00 0.00 O ATOM 74 CB LEU A 34 2.225 -13.901 1.711 1.00 0.00 C ATOM 75 CG LEU A 34 3.642 -13.938 2.291 1.00 0.00 C ATOM 76 CD1 LEU A 34 4.581 -13.082 1.437 1.00 0.00 C ATOM 77 CD2 LEU A 34 3.624 -13.397 3.722 1.00 0.00 C ATOM 0 H LEU A 34 -0.242 -12.325 0.921 1.00 0.00 H new ATOM 0 HA LEU A 34 2.321 -11.785 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.533 -14.398 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.196 -14.450 0.770 1.00 0.00 H new ATOM 0 HG LEU A 34 3.998 -14.968 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.586 -13.115 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.601 -13.469 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.225 -12.052 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.633 -13.424 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.261 -12.369 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.965 -14.012 4.335 1.00 0.00 H new ATOM 89 N MET A 35 2.906 -11.021 -0.126 1.00 0.00 N ATOM 90 CA MET A 35 3.243 -10.557 -1.461 1.00 0.00 C ATOM 91 C MET A 35 1.988 -10.126 -2.194 1.00 0.00 C ATOM 92 O MET A 35 0.964 -10.805 -2.146 1.00 0.00 O ATOM 93 CB MET A 35 3.928 -11.667 -2.252 1.00 0.00 C ATOM 94 CG MET A 35 5.442 -11.565 -2.075 1.00 0.00 C ATOM 95 SD MET A 35 6.238 -12.946 -2.929 1.00 0.00 S ATOM 96 CE MET A 35 7.944 -12.456 -2.596 1.00 0.00 C ATOM 0 H MET A 35 3.344 -10.499 0.633 1.00 0.00 H new ATOM 0 HA MET A 35 3.922 -9.709 -1.368 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.577 -12.641 -1.910 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.669 -11.588 -3.308 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.803 -10.618 -2.475 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.698 -11.582 -1.016 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.437 -12.194 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.951 -11.594 -1.929 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.475 -13.284 -2.126 1.00 0.00 H new ATOM 106 N ARG A 36 2.077 -9.004 -2.883 1.00 0.00 N ATOM 107 CA ARG A 36 0.946 -8.494 -3.636 1.00 0.00 C ATOM 108 C ARG A 36 0.976 -9.087 -5.038 1.00 0.00 C ATOM 109 O ARG A 36 2.046 -9.418 -5.549 1.00 0.00 O ATOM 110 CB ARG A 36 1.021 -6.969 -3.676 1.00 0.00 C ATOM 111 CG ARG A 36 0.955 -6.446 -2.240 1.00 0.00 C ATOM 112 CD ARG A 36 1.193 -4.937 -2.217 1.00 0.00 C ATOM 113 NE ARG A 36 0.000 -4.238 -2.659 1.00 0.00 N ATOM 114 CZ ARG A 36 -1.096 -4.216 -1.909 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.113 -4.832 -0.761 1.00 0.00 N ATOM 116 NH2 ARG A 36 -2.153 -3.571 -2.319 1.00 0.00 N ATOM 0 H ARG A 36 2.918 -8.429 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 36 0.007 -8.779 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.946 -6.647 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.199 -6.564 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.018 -6.675 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.703 -6.949 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.459 -4.618 -1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.033 -4.683 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 36 0.003 -3.757 -3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.284 -5.331 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.955 -4.815 -0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.138 -3.084 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.995 -3.554 -1.744 1.00 0.00 H new ATOM 130 N ARG A 37 -0.185 -9.236 -5.661 1.00 0.00 N ATOM 131 CA ARG A 37 -0.222 -9.813 -6.996 1.00 0.00 C ATOM 132 C ARG A 37 -1.343 -9.218 -7.836 1.00 0.00 C ATOM 133 O ARG A 37 -2.497 -9.161 -7.411 1.00 0.00 O ATOM 134 CB ARG A 37 -0.413 -11.331 -6.896 1.00 0.00 C ATOM 135 CG ARG A 37 -0.402 -11.948 -8.294 1.00 0.00 C ATOM 136 CD ARG A 37 -0.583 -13.465 -8.184 1.00 0.00 C ATOM 137 NE ARG A 37 -1.931 -13.781 -7.716 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.139 -14.515 -6.622 1.00 0.00 C ATOM 139 NH1 ARG A 37 -1.133 -15.013 -5.955 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.358 -14.751 -6.222 1.00 0.00 N ATOM 0 H ARG A 37 -1.092 -8.973 -5.275 1.00 0.00 H new ATOM 0 HA ARG A 37 0.725 -9.584 -7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.381 -11.767 -6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.355 -11.556 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.201 -11.519 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.537 -11.719 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.409 -13.930 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.155 -13.877 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.733 -13.431 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.178 -14.842 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.302 -15.573 -5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.148 -14.375 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.521 -15.312 -5.386 1.00 0.00 H new ATOM 154 N GLU A 38 -0.990 -8.818 -9.048 1.00 0.00 N ATOM 155 CA GLU A 38 -1.959 -8.268 -9.987 1.00 0.00 C ATOM 156 C GLU A 38 -1.844 -9.011 -11.308 1.00 0.00 C ATOM 157 O GLU A 38 -0.751 -9.391 -11.726 1.00 0.00 O ATOM 158 CB GLU A 38 -1.712 -6.777 -10.245 1.00 0.00 C ATOM 159 CG GLU A 38 -1.974 -5.949 -8.982 1.00 0.00 C ATOM 160 CD GLU A 38 -3.392 -6.191 -8.470 1.00 0.00 C ATOM 161 OE1 GLU A 38 -4.221 -6.619 -9.257 1.00 0.00 O ATOM 162 OE2 GLU A 38 -3.629 -5.938 -7.300 1.00 0.00 O ATOM 0 H GLU A 38 -0.036 -8.864 -9.407 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.952 -8.385 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.684 -6.627 -10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.360 -6.432 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.252 -6.214 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.835 -4.890 -9.199 1.00 0.00 H new ATOM 169 N LEU A 39 -2.974 -9.215 -11.959 1.00 0.00 N ATOM 170 CA LEU A 39 -2.988 -9.912 -13.235 1.00 0.00 C ATOM 171 C LEU A 39 -3.952 -9.208 -14.183 1.00 0.00 C ATOM 172 O LEU A 39 -5.047 -8.819 -13.778 1.00 0.00 O ATOM 173 CB LEU A 39 -3.425 -11.363 -13.015 1.00 0.00 C ATOM 174 CG LEU A 39 -3.090 -12.208 -14.247 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.178 -13.692 -13.884 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.085 -11.906 -15.366 1.00 0.00 C ATOM 0 H LEU A 39 -3.890 -8.911 -11.629 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.990 -9.905 -13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.925 -11.772 -12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.496 -11.402 -12.818 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.081 -11.969 -14.583 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.940 -14.296 -14.760 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.469 -13.914 -13.087 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.188 -13.925 -13.547 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.843 -12.509 -16.241 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.094 -12.143 -15.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.029 -10.849 -15.627 1.00 0.00 H new ATOM 188 N ALA A 40 -3.552 -9.029 -15.438 1.00 0.00 N ATOM 189 CA ALA A 40 -4.419 -8.349 -16.393 1.00 0.00 C ATOM 190 C ALA A 40 -4.474 -9.101 -17.716 1.00 0.00 C ATOM 191 O ALA A 40 -3.468 -9.633 -18.183 1.00 0.00 O ATOM 192 CB ALA A 40 -3.911 -6.929 -16.643 1.00 0.00 C ATOM 0 H ALA A 40 -2.654 -9.337 -15.811 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.422 -8.314 -15.968 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.565 -6.429 -17.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.907 -6.374 -15.705 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.899 -6.970 -17.045 1.00 0.00 H new ATOM 198 N CYS A 41 -5.667 -9.159 -18.301 1.00 0.00 N ATOM 199 CA CYS A 41 -5.856 -9.868 -19.554 1.00 0.00 C ATOM 200 C CYS A 41 -5.084 -9.196 -20.676 1.00 0.00 C ATOM 201 O CYS A 41 -5.047 -7.970 -20.769 1.00 0.00 O ATOM 202 CB CYS A 41 -7.343 -9.899 -19.895 1.00 0.00 C ATOM 203 SG CYS A 41 -8.226 -10.683 -18.533 1.00 0.00 S ATOM 0 H CYS A 41 -6.511 -8.725 -17.927 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.481 -10.885 -19.443 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.716 -8.887 -20.056 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.508 -10.450 -20.821 1.00 0.00 H new ATOM 208 N GLU A 42 -4.453 -10.010 -21.513 1.00 0.00 N ATOM 209 CA GLU A 42 -3.666 -9.486 -22.619 1.00 0.00 C ATOM 210 C GLU A 42 -4.408 -8.384 -23.362 1.00 0.00 C ATOM 211 O GLU A 42 -5.557 -8.550 -23.774 1.00 0.00 O ATOM 212 CB GLU A 42 -3.307 -10.614 -23.586 1.00 0.00 C ATOM 213 CG GLU A 42 -2.501 -10.054 -24.760 1.00 0.00 C ATOM 214 CD GLU A 42 -2.211 -11.164 -25.766 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.985 -12.106 -25.813 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.221 -11.058 -26.471 1.00 0.00 O ATOM 0 H GLU A 42 -4.471 -11.028 -21.447 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.754 -9.056 -22.205 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.729 -11.379 -23.068 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.215 -11.094 -23.952 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.056 -9.249 -25.243 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.566 -9.625 -24.399 1.00 0.00 H new ATOM 223 N GLY A 43 -3.716 -7.270 -23.555 1.00 0.00 N ATOM 224 CA GLY A 43 -4.273 -6.139 -24.281 1.00 0.00 C ATOM 225 C GLY A 43 -4.885 -5.067 -23.380 1.00 0.00 C ATOM 226 O GLY A 43 -5.172 -3.967 -23.852 1.00 0.00 O ATOM 0 H GLY A 43 -2.764 -7.126 -23.217 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.488 -5.686 -24.887 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.037 -6.502 -24.969 1.00 0.00 H new ATOM 230 N TYR A 44 -5.088 -5.348 -22.093 1.00 0.00 N ATOM 231 CA TYR A 44 -5.660 -4.338 -21.206 1.00 0.00 C ATOM 232 C TYR A 44 -4.601 -3.831 -20.234 1.00 0.00 C ATOM 233 O TYR A 44 -3.693 -4.572 -19.857 1.00 0.00 O ATOM 234 CB TYR A 44 -6.833 -4.929 -20.423 1.00 0.00 C ATOM 235 CG TYR A 44 -7.936 -5.287 -21.386 1.00 0.00 C ATOM 236 CD1 TYR A 44 -8.878 -4.323 -21.759 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.010 -6.579 -21.915 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.899 -4.653 -22.660 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.027 -6.908 -22.819 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.972 -5.946 -23.191 1.00 0.00 C ATOM 241 OH TYR A 44 -10.971 -6.268 -24.086 1.00 0.00 O ATOM 0 H TYR A 44 -4.872 -6.241 -21.651 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.017 -3.505 -21.812 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.511 -5.814 -19.874 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.194 -4.211 -19.687 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.818 -3.324 -21.353 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.283 -7.323 -21.626 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.629 -3.910 -22.945 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.082 -7.905 -23.230 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.877 -7.205 -24.358 1.00 0.00 H new ATOM 251 N PRO A 45 -4.695 -2.597 -19.820 1.00 0.00 N ATOM 252 CA PRO A 45 -3.714 -2.012 -18.875 1.00 0.00 C ATOM 253 C PRO A 45 -3.729 -2.700 -17.522 1.00 0.00 C ATOM 254 O PRO A 45 -4.757 -3.211 -17.075 1.00 0.00 O ATOM 255 CB PRO A 45 -4.117 -0.542 -18.740 1.00 0.00 C ATOM 256 CG PRO A 45 -5.486 -0.412 -19.322 1.00 0.00 C ATOM 257 CD PRO A 45 -5.740 -1.638 -20.203 1.00 0.00 C ATOM 0 HA PRO A 45 -2.697 -2.135 -19.247 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.111 -0.235 -17.694 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.411 0.102 -19.265 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.233 -0.349 -18.531 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.566 0.503 -19.909 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.735 -2.048 -20.033 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.676 -1.385 -21.261 1.00 0.00 H new ATOM 265 N ILE A 46 -2.577 -2.688 -16.874 1.00 0.00 N ATOM 266 CA ILE A 46 -2.438 -3.288 -15.557 1.00 0.00 C ATOM 267 C ILE A 46 -1.972 -2.207 -14.588 1.00 0.00 C ATOM 268 O ILE A 46 -1.186 -1.337 -14.962 1.00 0.00 O ATOM 269 CB ILE A 46 -1.421 -4.425 -15.614 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.527 -5.281 -14.351 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.015 -3.832 -15.705 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.799 -6.613 -14.572 1.00 0.00 C ATOM 0 H ILE A 46 -1.722 -2.268 -17.239 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.391 -3.698 -15.222 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.621 -5.047 -16.486 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.091 -4.753 -13.503 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.574 -5.463 -14.109 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.718 -4.638 -15.746 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.065 -3.222 -16.605 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.176 -3.212 -14.829 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.875 -7.223 -13.672 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.255 -7.143 -15.408 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.251 -6.421 -14.793 1.00 0.00 H new ATOM 284 N GLU A 47 -2.479 -2.231 -13.363 1.00 0.00 N ATOM 285 CA GLU A 47 -2.110 -1.194 -12.410 1.00 0.00 C ATOM 286 C GLU A 47 -1.665 -1.763 -11.075 1.00 0.00 C ATOM 287 O GLU A 47 -2.348 -2.587 -10.470 1.00 0.00 O ATOM 288 CB GLU A 47 -3.291 -0.245 -12.202 1.00 0.00 C ATOM 289 CG GLU A 47 -2.829 0.971 -11.399 1.00 0.00 C ATOM 290 CD GLU A 47 -3.976 1.962 -11.253 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.106 1.576 -11.503 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.705 3.099 -10.907 1.00 0.00 O ATOM 0 H GLU A 47 -3.128 -2.935 -13.013 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.261 -0.653 -12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.691 0.072 -13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.096 -0.758 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.481 0.657 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.986 1.448 -11.898 1.00 0.00 H new ATOM 299 N LEU A 48 -0.517 -1.283 -10.618 1.00 0.00 N ATOM 300 CA LEU A 48 0.039 -1.700 -9.341 1.00 0.00 C ATOM 301 C LEU A 48 0.092 -0.499 -8.406 1.00 0.00 C ATOM 302 O LEU A 48 0.439 0.600 -8.834 1.00 0.00 O ATOM 303 CB LEU A 48 1.450 -2.242 -9.556 1.00 0.00 C ATOM 304 CG LEU A 48 1.424 -3.284 -10.667 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.850 -3.750 -10.973 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.582 -4.484 -10.229 1.00 0.00 C ATOM 0 H LEU A 48 0.051 -0.599 -11.118 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.585 -2.479 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.128 -1.430 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.826 -2.686 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 48 0.987 -2.840 -11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.827 -4.495 -11.768 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.451 -2.898 -11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.289 -4.189 -10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.566 -5.227 -11.026 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.016 -4.924 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.436 -4.156 -10.017 1.00 0.00 H new ATOM 318 N ARG A 49 -0.240 -0.695 -7.140 1.00 0.00 N ATOM 319 CA ARG A 49 -0.203 0.415 -6.193 1.00 0.00 C ATOM 320 C ARG A 49 0.214 -0.052 -4.803 1.00 0.00 C ATOM 321 O ARG A 49 -0.269 -1.071 -4.306 1.00 0.00 O ATOM 322 CB ARG A 49 -1.573 1.096 -6.111 1.00 0.00 C ATOM 323 CG ARG A 49 -1.899 1.770 -7.448 1.00 0.00 C ATOM 324 CD ARG A 49 -3.102 2.700 -7.273 1.00 0.00 C ATOM 325 NE ARG A 49 -3.469 3.307 -8.550 1.00 0.00 N ATOM 326 CZ ARG A 49 -3.555 4.631 -8.695 1.00 0.00 C ATOM 327 NH1 ARG A 49 -3.273 5.428 -7.698 1.00 0.00 N ATOM 328 NH2 ARG A 49 -3.920 5.137 -9.845 1.00 0.00 N ATOM 0 H ARG A 49 -0.532 -1.590 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 49 0.537 1.128 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.340 0.361 -5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.574 1.836 -5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.037 2.336 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.117 1.015 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.947 2.140 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.865 3.479 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.664 2.705 -9.350 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.984 5.039 -6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.341 6.439 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.138 4.520 -10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.987 6.148 -9.959 1.00 0.00 H new ATOM 342 N CYS A 50 1.112 0.706 -4.182 1.00 0.00 N ATOM 343 CA CYS A 50 1.590 0.371 -2.847 1.00 0.00 C ATOM 344 C CYS A 50 0.884 1.227 -1.796 1.00 0.00 C ATOM 345 O CYS A 50 0.550 2.384 -2.049 1.00 0.00 O ATOM 346 CB CYS A 50 3.102 0.601 -2.766 1.00 0.00 C ATOM 347 SG CYS A 50 3.964 -0.865 -3.385 1.00 0.00 S ATOM 0 H CYS A 50 1.521 1.552 -4.580 1.00 0.00 H new ATOM 0 HA CYS A 50 1.370 -0.678 -2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.380 1.476 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.396 0.802 -1.736 1.00 0.00 H new ATOM 352 N PRO A 51 0.655 0.680 -0.631 1.00 0.00 N ATOM 353 CA PRO A 51 -0.026 1.405 0.482 1.00 0.00 C ATOM 354 C PRO A 51 0.841 2.515 1.073 1.00 0.00 C ATOM 355 O PRO A 51 2.061 2.506 0.928 1.00 0.00 O ATOM 356 CB PRO A 51 -0.296 0.321 1.528 1.00 0.00 C ATOM 357 CG PRO A 51 0.662 -0.788 1.233 1.00 0.00 C ATOM 358 CD PRO A 51 1.021 -0.694 -0.251 1.00 0.00 C ATOM 0 HA PRO A 51 -0.931 1.904 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.147 0.707 2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.327 -0.029 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.555 -0.699 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.213 -1.755 1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.082 -0.882 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.472 -1.429 -0.840 1.00 0.00 H new ATOM 366 N GLY A 52 0.196 3.454 1.764 1.00 0.00 N ATOM 367 CA GLY A 52 0.908 4.555 2.404 1.00 0.00 C ATOM 368 C GLY A 52 1.882 5.231 1.445 1.00 0.00 C ATOM 369 O GLY A 52 1.491 5.743 0.396 1.00 0.00 O ATOM 0 H GLY A 52 -0.816 3.473 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.190 5.289 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.452 4.181 3.271 1.00 0.00 H new ATOM 373 N SER A 53 3.152 5.228 1.823 1.00 0.00 N ATOM 374 CA SER A 53 4.189 5.842 1.004 1.00 0.00 C ATOM 375 C SER A 53 5.249 4.819 0.615 1.00 0.00 C ATOM 376 O SER A 53 6.390 5.179 0.325 1.00 0.00 O ATOM 377 CB SER A 53 4.840 7.000 1.759 1.00 0.00 C ATOM 378 OG SER A 53 5.680 6.481 2.782 1.00 0.00 O ATOM 0 H SER A 53 3.490 4.809 2.689 1.00 0.00 H new ATOM 0 HA SER A 53 3.723 6.222 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.421 7.616 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.074 7.643 2.193 1.00 0.00 H new ATOM 0 HG SER A 53 6.100 7.221 3.267 1.00 0.00 H new ATOM 384 N ASP A 54 4.863 3.549 0.587 1.00 0.00 N ATOM 385 CA ASP A 54 5.786 2.492 0.199 1.00 0.00 C ATOM 386 C ASP A 54 5.974 2.493 -1.310 1.00 0.00 C ATOM 387 O ASP A 54 5.248 3.173 -2.037 1.00 0.00 O ATOM 388 CB ASP A 54 5.271 1.125 0.645 1.00 0.00 C ATOM 389 CG ASP A 54 5.439 0.955 2.150 1.00 0.00 C ATOM 390 OD1 ASP A 54 6.027 1.827 2.765 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.979 -0.052 2.664 1.00 0.00 O ATOM 0 H ASP A 54 3.925 3.229 0.826 1.00 0.00 H new ATOM 0 HA ASP A 54 6.741 2.682 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.220 1.021 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.813 0.337 0.122 1.00 0.00 H new ATOM 396 N VAL A 55 6.940 1.724 -1.785 1.00 0.00 N ATOM 397 CA VAL A 55 7.179 1.653 -3.216 1.00 0.00 C ATOM 398 C VAL A 55 7.112 0.212 -3.700 1.00 0.00 C ATOM 399 O VAL A 55 7.503 -0.718 -2.993 1.00 0.00 O ATOM 400 CB VAL A 55 8.543 2.250 -3.562 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.602 3.705 -3.091 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.649 1.447 -2.868 1.00 0.00 C ATOM 0 H VAL A 55 7.560 1.151 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 55 6.402 2.230 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 55 8.688 2.210 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.575 4.128 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.819 4.280 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.453 3.744 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.620 1.875 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.502 1.483 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.612 0.411 -3.205 1.00 0.00 H new ATOM 412 N ILE A 56 6.607 0.046 -4.913 1.00 0.00 N ATOM 413 CA ILE A 56 6.476 -1.267 -5.511 1.00 0.00 C ATOM 414 C ILE A 56 7.836 -1.865 -5.827 1.00 0.00 C ATOM 415 O ILE A 56 8.714 -1.185 -6.361 1.00 0.00 O ATOM 416 CB ILE A 56 5.674 -1.156 -6.805 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.269 -0.635 -6.494 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.584 -2.528 -7.474 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.504 -0.461 -7.799 1.00 0.00 C ATOM 0 H ILE A 56 6.280 0.811 -5.503 1.00 0.00 H new ATOM 0 HA ILE A 56 5.966 -1.915 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 56 6.172 -0.462 -7.482 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.745 -1.333 -5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.329 0.315 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.011 -2.446 -8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.587 -2.889 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.090 -3.229 -6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.501 -0.090 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.028 0.252 -8.435 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.435 -1.421 -8.311 1.00 0.00 H new ATOM 431 N MET A 57 7.996 -3.146 -5.530 1.00 0.00 N ATOM 432 CA MET A 57 9.242 -3.832 -5.827 1.00 0.00 C ATOM 433 C MET A 57 8.937 -5.137 -6.547 1.00 0.00 C ATOM 434 O MET A 57 8.550 -6.133 -5.938 1.00 0.00 O ATOM 435 CB MET A 57 10.054 -4.073 -4.550 1.00 0.00 C ATOM 436 CG MET A 57 9.557 -5.313 -3.807 1.00 0.00 C ATOM 437 SD MET A 57 10.209 -5.274 -2.120 1.00 0.00 S ATOM 438 CE MET A 57 11.953 -5.082 -2.569 1.00 0.00 C ATOM 0 H MET A 57 7.284 -3.727 -5.087 1.00 0.00 H new ATOM 0 HA MET A 57 9.851 -3.205 -6.478 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.107 -4.195 -4.803 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.981 -3.202 -3.899 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.467 -5.333 -3.791 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.885 -6.218 -4.319 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.580 -5.483 -1.773 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.152 -5.622 -3.494 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.178 -4.025 -2.710 1.00 0.00 H new ATOM 448 N VAL A 58 9.082 -5.099 -7.863 1.00 0.00 N ATOM 449 CA VAL A 58 8.797 -6.261 -8.688 1.00 0.00 C ATOM 450 C VAL A 58 9.736 -7.419 -8.355 1.00 0.00 C ATOM 451 O VAL A 58 10.957 -7.282 -8.422 1.00 0.00 O ATOM 452 CB VAL A 58 8.926 -5.883 -10.166 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.459 -7.048 -11.039 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.051 -4.660 -10.452 1.00 0.00 C ATOM 0 H VAL A 58 9.395 -4.278 -8.381 1.00 0.00 H new ATOM 0 HA VAL A 58 7.778 -6.589 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 58 9.968 -5.655 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.552 -6.775 -12.090 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.074 -7.925 -10.836 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.417 -7.276 -10.814 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.140 -4.387 -11.504 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.011 -4.895 -10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.378 -3.826 -9.832 1.00 0.00 H new ATOM 464 N GLU A 59 9.146 -8.558 -7.996 1.00 0.00 N ATOM 465 CA GLU A 59 9.924 -9.746 -7.653 1.00 0.00 C ATOM 466 C GLU A 59 9.947 -10.696 -8.836 1.00 0.00 C ATOM 467 O GLU A 59 11.006 -11.147 -9.270 1.00 0.00 O ATOM 468 CB GLU A 59 9.291 -10.454 -6.455 1.00 0.00 C ATOM 469 CG GLU A 59 9.329 -9.528 -5.240 1.00 0.00 C ATOM 470 CD GLU A 59 10.771 -9.311 -4.804 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.568 -10.214 -5.000 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.062 -8.243 -4.290 1.00 0.00 O ATOM 0 H GLU A 59 8.135 -8.683 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 59 10.941 -9.445 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.262 -10.730 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.828 -11.378 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.865 -8.572 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.753 -9.962 -4.422 1.00 0.00 H new ATOM 479 N ASN A 60 8.764 -10.994 -9.350 1.00 0.00 N ATOM 480 CA ASN A 60 8.637 -11.892 -10.484 1.00 0.00 C ATOM 481 C ASN A 60 7.391 -11.545 -11.288 1.00 0.00 C ATOM 482 O ASN A 60 6.393 -11.073 -10.741 1.00 0.00 O ATOM 483 CB ASN A 60 8.542 -13.334 -9.990 1.00 0.00 C ATOM 484 CG ASN A 60 9.681 -13.622 -9.024 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.849 -13.411 -9.352 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.404 -14.083 -7.835 1.00 0.00 N ATOM 0 H ASN A 60 7.879 -10.627 -8.999 1.00 0.00 H new ATOM 0 HA ASN A 60 9.514 -11.784 -11.122 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.584 -13.497 -9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.586 -14.021 -10.835 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.157 -14.270 -7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.435 -14.256 -7.568 1.00 0.00 H new ATOM 493 N ALA A 61 7.461 -11.784 -12.587 1.00 0.00 N ATOM 494 CA ALA A 61 6.344 -11.499 -13.473 1.00 0.00 C ATOM 495 C ALA A 61 6.579 -12.150 -14.826 1.00 0.00 C ATOM 496 O ALA A 61 7.723 -12.370 -15.227 1.00 0.00 O ATOM 497 CB ALA A 61 6.190 -9.987 -13.660 1.00 0.00 C ATOM 0 H ALA A 61 8.280 -12.175 -13.052 1.00 0.00 H new ATOM 0 HA ALA A 61 5.434 -11.901 -13.027 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.350 -9.786 -14.325 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.007 -9.518 -12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.103 -9.579 -14.094 1.00 0.00 H new ATOM 503 N ASN A 62 5.500 -12.448 -15.537 1.00 0.00 N ATOM 504 CA ASN A 62 5.629 -13.065 -16.849 1.00 0.00 C ATOM 505 C ASN A 62 4.506 -12.633 -17.780 1.00 0.00 C ATOM 506 O ASN A 62 3.375 -12.410 -17.346 1.00 0.00 O ATOM 507 CB ASN A 62 5.603 -14.586 -16.723 1.00 0.00 C ATOM 508 CG ASN A 62 5.904 -15.213 -18.081 1.00 0.00 C ATOM 509 OD1 ASN A 62 7.046 -15.183 -18.542 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.938 -15.771 -18.758 1.00 0.00 N ATOM 0 H ASN A 62 4.541 -12.276 -15.234 1.00 0.00 H new ATOM 0 HA ASN A 62 6.581 -12.739 -17.269 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.338 -14.914 -15.988 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.627 -14.916 -16.366 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.128 -16.184 -19.671 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.993 -15.794 -18.374 1.00 0.00 H new ATOM 517 N TYR A 63 4.818 -12.554 -19.070 1.00 0.00 N ATOM 518 CA TYR A 63 3.829 -12.194 -20.072 1.00 0.00 C ATOM 519 C TYR A 63 3.610 -13.401 -20.976 1.00 0.00 C ATOM 520 O TYR A 63 4.529 -13.835 -21.671 1.00 0.00 O ATOM 521 CB TYR A 63 4.333 -11.008 -20.899 1.00 0.00 C ATOM 522 CG TYR A 63 3.385 -10.740 -22.042 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.074 -10.317 -21.788 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.823 -10.911 -23.360 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.203 -10.067 -22.855 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.952 -10.661 -24.426 1.00 0.00 C ATOM 527 CZ TYR A 63 1.643 -10.241 -24.174 1.00 0.00 C ATOM 528 OH TYR A 63 0.784 -9.994 -25.226 1.00 0.00 O ATOM 0 H TYR A 63 5.750 -12.735 -19.443 1.00 0.00 H new ATOM 0 HA TYR A 63 2.893 -11.907 -19.592 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.416 -10.123 -20.269 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.330 -11.220 -21.284 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.736 -10.184 -20.771 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.834 -11.236 -23.555 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.192 -9.740 -22.662 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.291 -10.792 -25.443 1.00 0.00 H new ATOM 0 HH TYR A 63 0.068 -10.663 -25.227 1.00 0.00 H new ATOM 538 N GLY A 64 2.406 -13.961 -20.949 1.00 0.00 N ATOM 539 CA GLY A 64 2.136 -15.141 -21.766 1.00 0.00 C ATOM 540 C GLY A 64 0.850 -15.834 -21.333 1.00 0.00 C ATOM 541 O GLY A 64 -0.133 -15.183 -20.973 1.00 0.00 O ATOM 0 H GLY A 64 1.621 -13.630 -20.388 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.060 -14.850 -22.814 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.971 -15.838 -21.689 1.00 0.00 H new ATOM 545 N ARG A 65 0.869 -17.168 -21.372 1.00 0.00 N ATOM 546 CA ARG A 65 -0.301 -17.946 -20.984 1.00 0.00 C ATOM 547 C ARG A 65 0.092 -19.306 -20.423 1.00 0.00 C ATOM 548 O ARG A 65 0.710 -20.125 -21.104 1.00 0.00 O ATOM 549 CB ARG A 65 -1.241 -18.134 -22.173 1.00 0.00 C ATOM 550 CG ARG A 65 -2.161 -19.328 -21.894 1.00 0.00 C ATOM 551 CD ARG A 65 -3.527 -19.139 -22.570 1.00 0.00 C ATOM 552 NE ARG A 65 -4.578 -19.064 -21.562 1.00 0.00 N ATOM 553 CZ ARG A 65 -4.955 -17.901 -21.036 1.00 0.00 C ATOM 554 NH1 ARG A 65 -4.337 -16.798 -21.366 1.00 0.00 N ATOM 555 NH2 ARG A 65 -5.937 -17.869 -20.174 1.00 0.00 N ATOM 0 H ARG A 65 1.673 -17.723 -21.665 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.816 -17.388 -20.202 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.832 -17.232 -22.333 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.667 -18.305 -23.084 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.695 -20.244 -22.257 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.296 -19.444 -20.819 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.522 -18.229 -23.170 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.723 -19.968 -23.250 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.035 -19.922 -21.253 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.562 -16.826 -22.029 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.629 -15.909 -20.961 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.410 -18.732 -19.908 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.230 -16.981 -19.768 1.00 0.00 H new ATOM 569 N THR A 66 -0.278 -19.536 -19.170 1.00 0.00 N ATOM 570 CA THR A 66 0.025 -20.795 -18.505 1.00 0.00 C ATOM 571 C THR A 66 -1.253 -21.406 -17.951 1.00 0.00 C ATOM 572 O THR A 66 -1.220 -22.405 -17.231 1.00 0.00 O ATOM 573 CB THR A 66 1.022 -20.559 -17.368 1.00 0.00 C ATOM 574 OG1 THR A 66 0.416 -19.749 -16.369 1.00 0.00 O ATOM 575 CG2 THR A 66 2.259 -19.848 -17.913 1.00 0.00 C ATOM 0 H THR A 66 -0.789 -18.867 -18.594 1.00 0.00 H new ATOM 0 HA THR A 66 0.466 -21.481 -19.228 1.00 0.00 H new ATOM 0 HB THR A 66 1.313 -21.517 -16.936 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.379 -19.313 -16.740 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.969 -19.680 -17.103 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.725 -20.465 -18.681 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.968 -18.890 -18.344 1.00 0.00 H new ATOM 583 N ASP A 67 -2.376 -20.789 -18.287 1.00 0.00 N ATOM 584 CA ASP A 67 -3.663 -21.263 -17.816 1.00 0.00 C ATOM 585 C ASP A 67 -4.699 -21.149 -18.922 1.00 0.00 C ATOM 586 O ASP A 67 -4.379 -20.791 -20.056 1.00 0.00 O ATOM 587 CB ASP A 67 -4.109 -20.441 -16.603 1.00 0.00 C ATOM 588 CG ASP A 67 -5.194 -21.189 -15.832 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.496 -22.311 -16.208 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.704 -20.629 -14.875 1.00 0.00 O ATOM 0 H ASP A 67 -2.419 -19.962 -18.882 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.568 -22.309 -17.525 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.257 -20.248 -15.952 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.487 -19.472 -16.930 1.00 0.00 H new ATOM 595 N ASP A 68 -5.938 -21.450 -18.581 1.00 0.00 N ATOM 596 CA ASP A 68 -7.029 -21.382 -19.540 1.00 0.00 C ATOM 597 C ASP A 68 -8.287 -20.922 -18.831 1.00 0.00 C ATOM 598 O ASP A 68 -9.349 -20.787 -19.435 1.00 0.00 O ATOM 599 CB ASP A 68 -7.258 -22.757 -20.168 1.00 0.00 C ATOM 600 CG ASP A 68 -7.782 -23.736 -19.121 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.438 -23.289 -18.196 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.511 -24.917 -19.256 1.00 0.00 O ATOM 0 H ASP A 68 -6.216 -21.745 -17.645 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.776 -20.674 -20.329 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.971 -22.676 -20.989 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.326 -23.131 -20.591 1.00 0.00 H new ATOM 607 N LYS A 69 -8.150 -20.706 -17.532 1.00 0.00 N ATOM 608 CA LYS A 69 -9.269 -20.280 -16.718 1.00 0.00 C ATOM 609 C LYS A 69 -9.210 -18.784 -16.430 1.00 0.00 C ATOM 610 O LYS A 69 -10.040 -18.261 -15.686 1.00 0.00 O ATOM 611 CB LYS A 69 -9.252 -21.056 -15.406 1.00 0.00 C ATOM 612 CG LYS A 69 -9.219 -22.554 -15.722 1.00 0.00 C ATOM 613 CD LYS A 69 -9.550 -23.361 -14.469 1.00 0.00 C ATOM 614 CE LYS A 69 -8.396 -23.258 -13.468 1.00 0.00 C ATOM 615 NZ LYS A 69 -8.770 -22.327 -12.371 1.00 0.00 N ATOM 0 H LYS A 69 -7.274 -20.820 -17.022 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.191 -20.479 -17.264 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.382 -20.776 -14.813 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.134 -20.814 -14.813 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.935 -22.783 -16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.234 -22.834 -16.094 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.470 -22.989 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.724 -24.404 -14.732 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.165 -24.242 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.496 -22.902 -13.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.909 -21.966 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.314 -21.531 -12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.349 -22.831 -11.670 1.00 0.00 H new ATOM 629 N ILE A 70 -8.229 -18.090 -17.008 1.00 0.00 N ATOM 630 CA ILE A 70 -8.093 -16.659 -16.780 1.00 0.00 C ATOM 631 C ILE A 70 -8.379 -15.892 -18.059 1.00 0.00 C ATOM 632 O ILE A 70 -7.898 -16.250 -19.133 1.00 0.00 O ATOM 633 CB ILE A 70 -6.672 -16.336 -16.325 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.276 -17.283 -15.193 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.611 -14.889 -15.830 1.00 0.00 C ATOM 636 CD1 ILE A 70 -7.258 -17.144 -14.034 1.00 0.00 C ATOM 0 H ILE A 70 -7.527 -18.493 -17.629 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.806 -16.366 -16.010 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.983 -16.460 -17.160 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.268 -18.312 -15.553 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.265 -17.056 -14.854 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.597 -14.658 -15.505 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.895 -14.216 -16.639 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.298 -14.761 -14.993 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.970 -17.822 -13.230 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.244 -16.118 -13.666 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.262 -17.393 -14.376 1.00 0.00 H new ATOM 648 N CYS A 71 -9.153 -14.827 -17.936 1.00 0.00 N ATOM 649 CA CYS A 71 -9.481 -14.013 -19.094 1.00 0.00 C ATOM 650 C CYS A 71 -10.217 -14.847 -20.133 1.00 0.00 C ATOM 651 O CYS A 71 -9.717 -15.077 -21.233 1.00 0.00 O ATOM 652 CB CYS A 71 -8.196 -13.450 -19.689 1.00 0.00 C ATOM 653 SG CYS A 71 -7.346 -12.493 -18.415 1.00 0.00 S ATOM 0 H CYS A 71 -9.562 -14.508 -17.057 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.131 -13.193 -18.788 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.557 -14.258 -20.045 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.421 -12.820 -20.549 1.00 0.00 H new ATOM 658 N ASP A 72 -11.402 -15.312 -19.763 1.00 0.00 N ATOM 659 CA ASP A 72 -12.199 -16.138 -20.650 1.00 0.00 C ATOM 660 C ASP A 72 -12.333 -15.507 -22.034 1.00 0.00 C ATOM 661 O ASP A 72 -13.204 -14.675 -22.276 1.00 0.00 O ATOM 662 CB ASP A 72 -13.579 -16.377 -20.034 1.00 0.00 C ATOM 663 CG ASP A 72 -14.276 -15.050 -19.758 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.826 -14.044 -20.277 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.250 -15.060 -19.023 1.00 0.00 O ATOM 0 H ASP A 72 -11.830 -15.130 -18.855 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.690 -17.094 -20.775 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.186 -16.980 -20.709 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.477 -16.941 -19.107 1.00 0.00 H new ATOM 670 N ALA A 73 -11.469 -15.948 -22.944 1.00 0.00 N ATOM 671 CA ALA A 73 -11.481 -15.471 -24.323 1.00 0.00 C ATOM 672 C ALA A 73 -11.928 -16.616 -25.216 1.00 0.00 C ATOM 673 O ALA A 73 -12.468 -17.604 -24.718 1.00 0.00 O ATOM 674 CB ALA A 73 -10.079 -15.014 -24.738 1.00 0.00 C ATOM 0 H ALA A 73 -10.746 -16.641 -22.748 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.162 -14.625 -24.416 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.102 -14.661 -25.769 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.751 -14.206 -24.084 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.385 -15.850 -24.657 1.00 0.00 H new ATOM 680 N ASP A 74 -11.698 -16.521 -26.519 1.00 0.00 N ATOM 681 CA ASP A 74 -12.093 -17.614 -27.391 1.00 0.00 C ATOM 682 C ASP A 74 -11.344 -18.874 -26.964 1.00 0.00 C ATOM 683 O ASP A 74 -10.168 -18.807 -26.609 1.00 0.00 O ATOM 684 CB ASP A 74 -11.791 -17.284 -28.855 1.00 0.00 C ATOM 685 CG ASP A 74 -10.525 -16.437 -28.959 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.993 -16.067 -27.925 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.108 -16.166 -30.074 1.00 0.00 O ATOM 0 H ASP A 74 -11.255 -15.727 -26.982 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.168 -17.774 -27.305 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.668 -18.205 -29.424 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.632 -16.748 -29.295 1.00 0.00 H new ATOM 692 N PRO A 75 -11.999 -20.002 -26.954 1.00 0.00 N ATOM 693 CA PRO A 75 -11.377 -21.284 -26.515 1.00 0.00 C ATOM 694 C PRO A 75 -10.119 -21.644 -27.298 1.00 0.00 C ATOM 695 O PRO A 75 -9.155 -22.158 -26.727 1.00 0.00 O ATOM 696 CB PRO A 75 -12.469 -22.336 -26.732 1.00 0.00 C ATOM 697 CG PRO A 75 -13.510 -21.691 -27.583 1.00 0.00 C ATOM 698 CD PRO A 75 -13.395 -20.186 -27.361 1.00 0.00 C ATOM 0 HA PRO A 75 -11.044 -21.215 -25.479 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.063 -23.223 -27.219 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.891 -22.660 -25.781 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.358 -21.939 -28.633 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.504 -22.046 -27.312 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.624 -19.628 -28.269 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -14.086 -19.841 -26.592 1.00 0.00 H new ATOM 706 N PHE A 76 -10.123 -21.369 -28.599 1.00 0.00 N ATOM 707 CA PHE A 76 -8.967 -21.690 -29.425 1.00 0.00 C ATOM 708 C PHE A 76 -7.736 -20.914 -28.957 1.00 0.00 C ATOM 709 O PHE A 76 -6.615 -21.414 -29.035 1.00 0.00 O ATOM 710 CB PHE A 76 -9.265 -21.381 -30.894 1.00 0.00 C ATOM 711 CG PHE A 76 -10.287 -22.364 -31.421 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.892 -23.650 -31.805 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.630 -21.985 -31.526 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.842 -24.559 -32.293 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.578 -22.891 -32.014 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.185 -24.178 -32.398 1.00 0.00 C ATOM 0 H PHE A 76 -10.900 -20.932 -29.096 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.757 -22.755 -29.326 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.640 -20.362 -30.993 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.349 -21.442 -31.482 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.855 -23.943 -31.726 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.935 -20.992 -31.230 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.538 -25.552 -32.588 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.614 -22.597 -32.094 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.917 -24.877 -32.775 1.00 0.00 H new ATOM 726 N GLN A 77 -7.947 -19.698 -28.462 1.00 0.00 N ATOM 727 CA GLN A 77 -6.831 -18.889 -27.980 1.00 0.00 C ATOM 728 C GLN A 77 -6.500 -19.240 -26.532 1.00 0.00 C ATOM 729 O GLN A 77 -5.522 -18.748 -25.975 1.00 0.00 O ATOM 730 CB GLN A 77 -7.167 -17.401 -28.064 1.00 0.00 C ATOM 731 CG GLN A 77 -7.405 -17.002 -29.517 1.00 0.00 C ATOM 732 CD GLN A 77 -7.497 -15.483 -29.612 1.00 0.00 C ATOM 733 OE1 GLN A 77 -6.858 -14.773 -28.837 1.00 0.00 O ATOM 734 NE2 GLN A 77 -8.258 -14.944 -30.516 1.00 0.00 N ATOM 0 H GLN A 77 -8.863 -19.257 -28.384 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.970 -19.102 -28.613 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.055 -17.186 -27.469 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.352 -16.811 -27.645 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.593 -17.369 -30.145 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.324 -17.458 -29.886 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.786 -15.536 -31.157 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.327 -13.929 -30.585 1.00 0.00 H new ATOM 743 N MET A 78 -7.328 -20.087 -25.927 1.00 0.00 N ATOM 744 CA MET A 78 -7.113 -20.491 -24.541 1.00 0.00 C ATOM 745 C MET A 78 -6.680 -21.950 -24.448 1.00 0.00 C ATOM 746 O MET A 78 -6.417 -22.455 -23.356 1.00 0.00 O ATOM 747 CB MET A 78 -8.397 -20.295 -23.735 1.00 0.00 C ATOM 748 CG MET A 78 -8.732 -18.804 -23.672 1.00 0.00 C ATOM 749 SD MET A 78 -10.143 -18.534 -22.566 1.00 0.00 S ATOM 750 CE MET A 78 -9.249 -18.608 -20.994 1.00 0.00 C ATOM 0 H MET A 78 -8.147 -20.504 -26.370 1.00 0.00 H new ATOM 0 HA MET A 78 -6.318 -19.867 -24.133 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.217 -20.845 -24.197 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.273 -20.694 -22.728 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.868 -18.243 -23.316 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.965 -18.432 -24.670 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.963 -18.641 -20.171 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.627 -19.503 -20.971 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.618 -17.725 -20.892 1.00 0.00 H new ATOM 760 N GLU A 79 -6.625 -22.633 -25.585 1.00 0.00 N ATOM 761 CA GLU A 79 -6.242 -24.047 -25.578 1.00 0.00 C ATOM 762 C GLU A 79 -4.801 -24.246 -25.116 1.00 0.00 C ATOM 763 O GLU A 79 -4.533 -25.129 -24.300 1.00 0.00 O ATOM 764 CB GLU A 79 -6.407 -24.673 -26.969 1.00 0.00 C ATOM 765 CG GLU A 79 -7.881 -24.981 -27.236 1.00 0.00 C ATOM 766 CD GLU A 79 -8.020 -25.775 -28.528 1.00 0.00 C ATOM 767 OE1 GLU A 79 -7.056 -25.825 -29.273 1.00 0.00 O ATOM 768 OE2 GLU A 79 -9.086 -26.323 -28.752 1.00 0.00 O ATOM 0 H GLU A 79 -6.834 -22.246 -26.505 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.909 -24.542 -24.872 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.026 -23.992 -27.730 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.818 -25.588 -27.037 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.299 -25.548 -26.404 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.448 -24.053 -27.307 1.00 0.00 H new ATOM 775 N ASN A 80 -3.869 -23.455 -25.634 1.00 0.00 N ATOM 776 CA ASN A 80 -2.466 -23.605 -25.248 1.00 0.00 C ATOM 777 C ASN A 80 -2.194 -22.943 -23.901 1.00 0.00 C ATOM 778 O ASN A 80 -2.259 -21.721 -23.776 1.00 0.00 O ATOM 779 CB ASN A 80 -1.570 -22.970 -26.316 1.00 0.00 C ATOM 780 CG ASN A 80 -0.125 -23.410 -26.119 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.197 -24.585 -26.292 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.771 -22.530 -25.770 1.00 0.00 N ATOM 0 H ASN A 80 -4.051 -22.714 -26.311 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.247 -24.669 -25.161 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.914 -23.260 -27.309 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.638 -21.884 -26.259 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.742 -22.815 -25.640 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.501 -21.557 -25.627 1.00 0.00 H new ATOM 789 N VAL A 81 -1.886 -23.760 -22.898 1.00 0.00 N ATOM 790 CA VAL A 81 -1.603 -23.247 -21.559 1.00 0.00 C ATOM 791 C VAL A 81 -0.115 -23.346 -21.242 1.00 0.00 C ATOM 792 O VAL A 81 0.271 -23.534 -20.088 1.00 0.00 O ATOM 793 CB VAL A 81 -2.396 -24.031 -20.512 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.896 -23.845 -20.756 1.00 0.00 C ATOM 795 CG2 VAL A 81 -2.044 -25.516 -20.618 1.00 0.00 C ATOM 0 H VAL A 81 -1.826 -24.775 -22.985 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.901 -22.199 -21.532 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.144 -23.664 -19.517 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.458 -24.405 -20.009 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.148 -22.787 -20.683 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.151 -24.211 -21.751 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.608 -26.078 -19.873 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.297 -25.880 -21.614 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.977 -25.650 -20.443 1.00 0.00 H new ATOM 805 N GLN A 82 0.718 -23.225 -22.270 1.00 0.00 N ATOM 806 CA GLN A 82 2.158 -23.310 -22.072 1.00 0.00 C ATOM 807 C GLN A 82 2.908 -22.261 -22.892 1.00 0.00 C ATOM 808 O GLN A 82 3.391 -22.542 -23.989 1.00 0.00 O ATOM 809 CB GLN A 82 2.648 -24.704 -22.444 1.00 0.00 C ATOM 810 CG GLN A 82 1.985 -25.729 -21.522 1.00 0.00 C ATOM 811 CD GLN A 82 2.341 -25.431 -20.071 1.00 0.00 C ATOM 812 OE1 GLN A 82 1.429 -25.558 -19.149 1.00 0.00 O flip ATOM 813 NE2 GLN A 82 3.479 -25.070 -19.770 1.00 0.00 N flip ATOM 0 H GLN A 82 0.426 -23.070 -23.235 1.00 0.00 H new ATOM 0 HA GLN A 82 2.361 -23.115 -21.019 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.407 -24.922 -23.484 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.733 -24.759 -22.350 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.903 -25.702 -21.653 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.313 -26.734 -21.787 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.191 -24.971 -20.494 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.710 -24.870 -18.797 1.00 0.00 H new ATOM 822 N CYS A 83 3.015 -21.058 -22.339 1.00 0.00 N ATOM 823 CA CYS A 83 3.724 -19.964 -22.999 1.00 0.00 C ATOM 824 C CYS A 83 4.404 -19.092 -21.952 1.00 0.00 C ATOM 825 O CYS A 83 3.747 -18.611 -21.027 1.00 0.00 O ATOM 826 CB CYS A 83 2.749 -19.104 -23.798 1.00 0.00 C ATOM 827 SG CYS A 83 3.662 -17.760 -24.590 1.00 0.00 S ATOM 0 H CYS A 83 2.619 -20.813 -21.432 1.00 0.00 H new ATOM 0 HA CYS A 83 4.467 -20.389 -23.674 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.242 -19.709 -24.550 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.978 -18.700 -23.142 1.00 0.00 H new ATOM 832 N TYR A 84 5.713 -18.878 -22.092 1.00 0.00 N ATOM 833 CA TYR A 84 6.437 -18.055 -21.123 1.00 0.00 C ATOM 834 C TYR A 84 7.364 -17.041 -21.797 1.00 0.00 C ATOM 835 O TYR A 84 7.833 -17.252 -22.918 1.00 0.00 O ATOM 836 CB TYR A 84 7.280 -18.948 -20.212 1.00 0.00 C ATOM 837 CG TYR A 84 6.391 -19.899 -19.448 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.879 -21.040 -20.077 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.083 -19.642 -18.104 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.057 -21.923 -19.364 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.262 -20.525 -17.393 1.00 0.00 C ATOM 842 CZ TYR A 84 4.751 -21.665 -18.023 1.00 0.00 C ATOM 843 OH TYR A 84 3.940 -22.534 -17.320 1.00 0.00 O ATOM 0 H TYR A 84 6.283 -19.254 -22.850 1.00 0.00 H new ATOM 0 HA TYR A 84 5.688 -17.508 -20.550 1.00 0.00 H new ATOM 0 HB2 TYR A 84 8.000 -19.510 -20.807 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.851 -18.334 -19.516 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.117 -21.240 -21.111 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.479 -18.763 -17.618 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.660 -22.802 -19.849 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.023 -20.326 -16.359 1.00 0.00 H new ATOM 0 HH TYR A 84 3.829 -22.208 -16.403 1.00 0.00 H new ATOM 853 N LEU A 85 7.641 -15.950 -21.079 1.00 0.00 N ATOM 854 CA LEU A 85 8.534 -14.899 -21.568 1.00 0.00 C ATOM 855 C LEU A 85 9.290 -14.284 -20.385 1.00 0.00 C ATOM 856 O LEU A 85 8.785 -13.382 -19.718 1.00 0.00 O ATOM 857 CB LEU A 85 7.739 -13.813 -22.292 1.00 0.00 C ATOM 858 CG LEU A 85 8.701 -12.718 -22.767 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.558 -13.248 -23.921 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.899 -11.504 -23.241 1.00 0.00 C ATOM 0 H LEU A 85 7.256 -15.772 -20.151 1.00 0.00 H new ATOM 0 HA LEU A 85 9.243 -15.337 -22.271 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.207 -14.240 -23.142 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.988 -13.390 -21.625 1.00 0.00 H new ATOM 0 HG LEU A 85 9.350 -12.425 -21.942 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.240 -12.467 -24.256 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.132 -14.110 -23.582 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.912 -13.544 -24.748 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.583 -10.725 -23.579 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.248 -11.797 -24.064 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.294 -11.124 -22.418 1.00 0.00 H new ATOM 872 N PRO A 86 10.466 -14.778 -20.103 1.00 0.00 N ATOM 873 CA PRO A 86 11.311 -14.304 -18.954 1.00 0.00 C ATOM 874 C PRO A 86 11.545 -12.790 -18.917 1.00 0.00 C ATOM 875 O PRO A 86 11.415 -12.164 -17.865 1.00 0.00 O ATOM 876 CB PRO A 86 12.637 -15.036 -19.170 1.00 0.00 C ATOM 877 CG PRO A 86 12.277 -16.265 -19.931 1.00 0.00 C ATOM 878 CD PRO A 86 11.135 -15.855 -20.852 1.00 0.00 C ATOM 0 HA PRO A 86 10.819 -14.513 -18.004 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.343 -14.419 -19.727 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.111 -15.284 -18.220 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.128 -16.636 -20.502 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.971 -17.067 -19.259 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.502 -15.506 -21.817 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.459 -16.687 -21.050 1.00 0.00 H new ATOM 886 N ASP A 87 11.933 -12.215 -20.047 1.00 0.00 N ATOM 887 CA ASP A 87 12.233 -10.781 -20.105 1.00 0.00 C ATOM 888 C ASP A 87 11.053 -9.912 -19.674 1.00 0.00 C ATOM 889 O ASP A 87 11.238 -8.752 -19.322 1.00 0.00 O ATOM 890 CB ASP A 87 12.664 -10.395 -21.521 1.00 0.00 C ATOM 891 CG ASP A 87 14.040 -10.986 -21.821 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.761 -11.263 -20.875 1.00 0.00 O ATOM 893 OD2 ASP A 87 14.355 -11.150 -22.988 1.00 0.00 O ATOM 0 H ASP A 87 12.048 -12.710 -20.932 1.00 0.00 H new ATOM 0 HA ASP A 87 13.044 -10.598 -19.400 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.935 -10.760 -22.245 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.695 -9.310 -21.619 1.00 0.00 H new ATOM 898 N ALA A 88 9.849 -10.454 -19.700 1.00 0.00 N ATOM 899 CA ALA A 88 8.685 -9.668 -19.298 1.00 0.00 C ATOM 900 C ALA A 88 8.871 -9.113 -17.886 1.00 0.00 C ATOM 901 O ALA A 88 8.384 -8.023 -17.560 1.00 0.00 O ATOM 902 CB ALA A 88 7.430 -10.533 -19.334 1.00 0.00 C ATOM 0 H ALA A 88 9.648 -11.412 -19.987 1.00 0.00 H new ATOM 0 HA ALA A 88 8.578 -8.838 -19.997 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.569 -9.937 -19.033 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.276 -10.908 -20.346 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.547 -11.373 -18.649 1.00 0.00 H new ATOM 908 N PHE A 89 9.582 -9.870 -17.058 1.00 0.00 N ATOM 909 CA PHE A 89 9.852 -9.469 -15.687 1.00 0.00 C ATOM 910 C PHE A 89 10.697 -8.200 -15.626 1.00 0.00 C ATOM 911 O PHE A 89 10.432 -7.302 -14.830 1.00 0.00 O ATOM 912 CB PHE A 89 10.592 -10.606 -14.983 1.00 0.00 C ATOM 913 CG PHE A 89 11.075 -10.148 -13.633 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.155 -9.807 -12.641 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.449 -10.070 -13.373 1.00 0.00 C ATOM 916 CE1 PHE A 89 10.609 -9.386 -11.389 1.00 0.00 C ATOM 917 CE2 PHE A 89 12.901 -9.649 -12.122 1.00 0.00 C ATOM 918 CZ PHE A 89 11.981 -9.304 -11.129 1.00 0.00 C ATOM 0 H PHE A 89 9.983 -10.771 -17.317 1.00 0.00 H new ATOM 0 HA PHE A 89 8.903 -9.259 -15.194 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.931 -11.466 -14.870 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.437 -10.931 -15.590 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.095 -9.868 -12.841 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.159 -10.336 -14.142 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.899 -9.123 -10.619 1.00 0.00 H new ATOM 0 HE2 PHE A 89 13.961 -9.590 -11.922 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.329 -8.974 -10.161 1.00 0.00 H new ATOM 928 N LYS A 90 11.724 -8.144 -16.464 1.00 0.00 N ATOM 929 CA LYS A 90 12.613 -6.987 -16.480 1.00 0.00 C ATOM 930 C LYS A 90 11.867 -5.735 -16.937 1.00 0.00 C ATOM 931 O LYS A 90 12.086 -4.647 -16.404 1.00 0.00 O ATOM 932 CB LYS A 90 13.805 -7.241 -17.405 1.00 0.00 C ATOM 933 CG LYS A 90 13.495 -6.727 -18.812 1.00 0.00 C ATOM 934 CD LYS A 90 14.510 -7.288 -19.801 1.00 0.00 C ATOM 935 CE LYS A 90 15.781 -6.439 -19.763 1.00 0.00 C ATOM 936 NZ LYS A 90 15.877 -5.643 -21.018 1.00 0.00 N ATOM 0 H LYS A 90 11.961 -8.876 -17.134 1.00 0.00 H new ATOM 0 HA LYS A 90 12.975 -6.829 -15.464 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.692 -6.742 -17.014 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.028 -8.307 -17.440 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.487 -7.023 -19.104 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.524 -5.637 -18.826 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.744 -8.323 -19.551 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.091 -7.290 -20.807 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.764 -5.776 -18.898 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.657 -7.079 -19.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.740 -5.064 -20.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.911 -6.286 -21.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.046 -5.023 -21.100 1.00 0.00 H new ATOM 950 N ILE A 91 10.993 -5.891 -17.929 1.00 0.00 N ATOM 951 CA ILE A 91 10.236 -4.757 -18.445 1.00 0.00 C ATOM 952 C ILE A 91 9.422 -4.099 -17.341 1.00 0.00 C ATOM 953 O ILE A 91 9.482 -2.883 -17.152 1.00 0.00 O ATOM 954 CB ILE A 91 9.296 -5.215 -19.564 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.112 -5.733 -20.754 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.427 -4.041 -20.011 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.162 -6.193 -21.863 1.00 0.00 C ATOM 0 H ILE A 91 10.794 -6.781 -18.386 1.00 0.00 H new ATOM 0 HA ILE A 91 10.946 -4.030 -18.839 1.00 0.00 H new ATOM 0 HB ILE A 91 8.661 -6.018 -19.192 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.770 -4.948 -21.127 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.749 -6.560 -20.440 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.758 -4.366 -20.807 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.839 -3.682 -19.167 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.064 -3.236 -20.378 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.742 -6.561 -22.709 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.522 -6.991 -21.486 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.544 -5.354 -22.184 1.00 0.00 H new ATOM 969 N MET A 92 8.661 -4.904 -16.614 1.00 0.00 N ATOM 970 CA MET A 92 7.845 -4.368 -15.541 1.00 0.00 C ATOM 971 C MET A 92 8.720 -3.913 -14.381 1.00 0.00 C ATOM 972 O MET A 92 8.397 -2.943 -13.697 1.00 0.00 O ATOM 973 CB MET A 92 6.845 -5.417 -15.068 1.00 0.00 C ATOM 974 CG MET A 92 5.934 -5.801 -16.233 1.00 0.00 C ATOM 975 SD MET A 92 4.397 -6.497 -15.590 1.00 0.00 S ATOM 976 CE MET A 92 3.610 -4.922 -15.170 1.00 0.00 C ATOM 0 H MET A 92 8.593 -5.913 -16.746 1.00 0.00 H new ATOM 0 HA MET A 92 7.297 -3.505 -15.919 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.370 -6.297 -14.696 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.253 -5.026 -14.241 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.721 -4.925 -16.846 1.00 0.00 H new ATOM 0 HG3 MET A 92 6.433 -6.526 -16.876 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.655 -5.112 -14.680 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.257 -4.360 -14.497 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.443 -4.345 -16.079 1.00 0.00 H new ATOM 986 N SER A 93 9.831 -4.610 -14.165 1.00 0.00 N ATOM 987 CA SER A 93 10.735 -4.250 -13.087 1.00 0.00 C ATOM 988 C SER A 93 11.215 -2.816 -13.270 1.00 0.00 C ATOM 989 O SER A 93 11.195 -2.018 -12.333 1.00 0.00 O ATOM 990 CB SER A 93 11.939 -5.188 -13.086 1.00 0.00 C ATOM 991 OG SER A 93 11.491 -6.533 -13.036 1.00 0.00 O ATOM 0 H SER A 93 10.122 -5.417 -14.717 1.00 0.00 H new ATOM 0 HA SER A 93 10.205 -4.337 -12.138 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.540 -5.027 -13.981 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.579 -4.975 -12.230 1.00 0.00 H new ATOM 0 HG SER A 93 11.322 -6.855 -13.946 1.00 0.00 H new ATOM 997 N GLN A 94 11.632 -2.494 -14.490 1.00 0.00 N ATOM 998 CA GLN A 94 12.098 -1.152 -14.797 1.00 0.00 C ATOM 999 C GLN A 94 10.960 -0.146 -14.656 1.00 0.00 C ATOM 1000 O GLN A 94 11.177 1.005 -14.280 1.00 0.00 O ATOM 1001 CB GLN A 94 12.641 -1.102 -16.229 1.00 0.00 C ATOM 1002 CG GLN A 94 13.886 -1.986 -16.353 1.00 0.00 C ATOM 1003 CD GLN A 94 14.592 -1.701 -17.679 1.00 0.00 C ATOM 1004 OE1 GLN A 94 15.694 -1.151 -17.691 1.00 0.00 O ATOM 1005 NE2 GLN A 94 14.016 -2.033 -18.803 1.00 0.00 N ATOM 0 H GLN A 94 11.656 -3.142 -15.277 1.00 0.00 H new ATOM 0 HA GLN A 94 12.891 -0.895 -14.095 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.876 -1.439 -16.928 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.887 -0.075 -16.497 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.564 -1.795 -15.521 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.604 -3.037 -16.299 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.103 -2.489 -18.793 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.479 -1.837 -19.691 1.00 0.00 H new ATOM 1014 N ARG A 95 9.759 -0.588 -15.001 1.00 0.00 N ATOM 1015 CA ARG A 95 8.580 0.276 -14.960 1.00 0.00 C ATOM 1016 C ARG A 95 7.950 0.454 -13.563 1.00 0.00 C ATOM 1017 O ARG A 95 7.364 1.503 -13.296 1.00 0.00 O ATOM 1018 CB ARG A 95 7.533 -0.250 -15.947 1.00 0.00 C ATOM 1019 CG ARG A 95 8.047 -0.022 -17.373 1.00 0.00 C ATOM 1020 CD ARG A 95 6.997 -0.464 -18.391 1.00 0.00 C ATOM 1021 NE ARG A 95 5.941 0.537 -18.487 1.00 0.00 N ATOM 1022 CZ ARG A 95 5.407 0.873 -19.658 1.00 0.00 C ATOM 1023 NH1 ARG A 95 5.832 0.313 -20.758 1.00 0.00 N ATOM 1024 NH2 ARG A 95 4.458 1.768 -19.708 1.00 0.00 N ATOM 0 H ARG A 95 9.572 -1.541 -15.313 1.00 0.00 H new ATOM 0 HA ARG A 95 8.927 1.270 -15.243 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.351 -1.311 -15.776 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.583 0.264 -15.801 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.283 1.032 -17.518 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.971 -0.579 -17.528 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.462 -0.608 -19.366 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.573 -1.424 -18.095 1.00 0.00 H new ATOM 0 HE ARG A 95 5.604 0.990 -17.637 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.576 -0.384 -20.721 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.421 0.573 -21.654 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.127 2.209 -18.850 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.048 2.027 -20.605 1.00 0.00 H new ATOM 1038 N CYS A 96 8.008 -0.557 -12.694 1.00 0.00 N ATOM 1039 CA CYS A 96 7.359 -0.421 -11.379 1.00 0.00 C ATOM 1040 C CYS A 96 8.334 -0.355 -10.204 1.00 0.00 C ATOM 1041 O CYS A 96 7.955 0.095 -9.121 1.00 0.00 O ATOM 1042 CB CYS A 96 6.394 -1.587 -11.145 1.00 0.00 C ATOM 1043 SG CYS A 96 5.207 -1.685 -12.506 1.00 0.00 S ATOM 0 H CYS A 96 8.477 -1.447 -12.861 1.00 0.00 H new ATOM 0 HA CYS A 96 6.831 0.532 -11.413 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.950 -2.521 -11.068 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.867 -1.451 -10.200 1.00 0.00 H new ATOM 1048 N ASN A 97 9.564 -0.818 -10.380 1.00 0.00 N ATOM 1049 CA ASN A 97 10.510 -0.804 -9.271 1.00 0.00 C ATOM 1050 C ASN A 97 10.687 0.596 -8.694 1.00 0.00 C ATOM 1051 O ASN A 97 10.855 1.570 -9.427 1.00 0.00 O ATOM 1052 CB ASN A 97 11.873 -1.328 -9.716 1.00 0.00 C ATOM 1053 CG ASN A 97 11.794 -2.818 -10.022 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.716 -3.406 -9.974 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.885 -3.469 -10.323 1.00 0.00 N ATOM 0 H ASN A 97 9.924 -1.199 -11.255 1.00 0.00 H new ATOM 0 HA ASN A 97 10.097 -1.452 -8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.207 -0.786 -10.600 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.611 -1.149 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.844 -4.469 -10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.778 -2.977 -10.362 1.00 0.00 H new ATOM 1062 N ASN A 98 10.675 0.668 -7.367 1.00 0.00 N ATOM 1063 CA ASN A 98 10.863 1.928 -6.654 1.00 0.00 C ATOM 1064 C ASN A 98 9.744 2.932 -6.914 1.00 0.00 C ATOM 1065 O ASN A 98 9.878 4.108 -6.578 1.00 0.00 O ATOM 1066 CB ASN A 98 12.213 2.540 -7.022 1.00 0.00 C ATOM 1067 CG ASN A 98 13.325 1.705 -6.393 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.063 0.654 -5.810 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.561 2.179 -6.491 1.00 0.00 N ATOM 0 H ASN A 98 10.536 -0.139 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 98 10.837 1.696 -5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.331 2.569 -8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.269 3.569 -6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.734 3.055 -6.984 1.00 0.00 H new ATOM 1075 N ARG A 99 8.634 2.478 -7.489 1.00 0.00 N ATOM 1076 CA ARG A 99 7.518 3.382 -7.745 1.00 0.00 C ATOM 1077 C ARG A 99 6.323 3.015 -6.880 1.00 0.00 C ATOM 1078 O ARG A 99 6.060 1.840 -6.625 1.00 0.00 O ATOM 1079 CB ARG A 99 7.107 3.337 -9.218 1.00 0.00 C ATOM 1080 CG ARG A 99 8.207 3.970 -10.065 1.00 0.00 C ATOM 1081 CD ARG A 99 7.730 4.114 -11.506 1.00 0.00 C ATOM 1082 NE ARG A 99 8.847 4.485 -12.368 1.00 0.00 N ATOM 1083 CZ ARG A 99 9.826 3.627 -12.632 1.00 0.00 C ATOM 1084 NH1 ARG A 99 9.794 2.426 -12.126 1.00 0.00 N ATOM 1085 NH2 ARG A 99 10.813 3.982 -13.406 1.00 0.00 N ATOM 0 H ARG A 99 8.484 1.512 -7.781 1.00 0.00 H new ATOM 0 HA ARG A 99 7.846 4.391 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.939 2.306 -9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.168 3.871 -9.362 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.473 4.947 -9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.106 3.354 -10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.292 3.176 -11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.948 4.871 -11.565 1.00 0.00 H new ATOM 0 HE ARG A 99 8.877 5.420 -12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.017 2.145 -11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.546 1.767 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.834 4.919 -13.809 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.565 3.323 -13.609 1.00 0.00 H new ATOM 1099 N THR A 100 5.599 4.032 -6.444 1.00 0.00 N ATOM 1100 CA THR A 100 4.425 3.820 -5.618 1.00 0.00 C ATOM 1101 C THR A 100 3.339 3.149 -6.456 1.00 0.00 C ATOM 1102 O THR A 100 2.559 2.338 -5.958 1.00 0.00 O ATOM 1103 CB THR A 100 3.937 5.170 -5.082 1.00 0.00 C ATOM 1104 OG1 THR A 100 4.986 5.793 -4.347 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.721 4.971 -4.175 1.00 0.00 C ATOM 0 H THR A 100 5.804 5.010 -6.648 1.00 0.00 H new ATOM 0 HA THR A 100 4.667 3.174 -4.774 1.00 0.00 H new ATOM 0 HB THR A 100 3.649 5.804 -5.921 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.677 6.658 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.384 5.938 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.917 4.501 -4.742 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.994 4.332 -3.335 1.00 0.00 H new ATOM 1113 N GLN A 101 3.316 3.492 -7.742 1.00 0.00 N ATOM 1114 CA GLN A 101 2.345 2.913 -8.665 1.00 0.00 C ATOM 1115 C GLN A 101 2.884 2.904 -10.093 1.00 0.00 C ATOM 1116 O GLN A 101 3.786 3.668 -10.432 1.00 0.00 O ATOM 1117 CB GLN A 101 1.031 3.692 -8.613 1.00 0.00 C ATOM 1118 CG GLN A 101 1.261 5.128 -9.082 1.00 0.00 C ATOM 1119 CD GLN A 101 0.138 5.554 -10.018 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.556 6.537 -9.750 1.00 0.00 O ATOM 1121 NE2 GLN A 101 -0.085 4.871 -11.108 1.00 0.00 N ATOM 0 H GLN A 101 3.955 4.164 -8.166 1.00 0.00 H new ATOM 0 HA GLN A 101 2.163 1.883 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.286 3.208 -9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.637 3.690 -7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.304 5.798 -8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.221 5.203 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.491 4.058 -11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.835 5.150 -11.740 1.00 0.00 H new ATOM 1130 N CYS A 102 2.314 2.035 -10.925 1.00 0.00 N ATOM 1131 CA CYS A 102 2.738 1.946 -12.318 1.00 0.00 C ATOM 1132 C CYS A 102 1.625 1.384 -13.197 1.00 0.00 C ATOM 1133 O CYS A 102 0.980 0.391 -12.855 1.00 0.00 O ATOM 1134 CB CYS A 102 3.987 1.071 -12.445 1.00 0.00 C ATOM 1135 SG CYS A 102 3.626 -0.605 -11.865 1.00 0.00 S ATOM 0 H CYS A 102 1.568 1.391 -10.663 1.00 0.00 H new ATOM 0 HA CYS A 102 2.972 2.955 -12.657 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.318 1.043 -13.483 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.803 1.499 -11.862 1.00 0.00 H new ATOM 1140 N VAL A 103 1.417 2.019 -14.346 1.00 0.00 N ATOM 1141 CA VAL A 103 0.397 1.569 -15.288 1.00 0.00 C ATOM 1142 C VAL A 103 1.075 1.111 -16.572 1.00 0.00 C ATOM 1143 O VAL A 103 1.907 1.828 -17.127 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.575 2.706 -15.604 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.698 2.177 -16.501 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.170 3.256 -14.305 1.00 0.00 C ATOM 0 H VAL A 103 1.938 2.843 -14.647 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.161 0.745 -14.844 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.042 3.506 -16.118 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.393 2.985 -16.728 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.273 1.793 -17.428 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.229 1.376 -15.986 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.862 4.066 -14.536 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.703 2.461 -13.784 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.369 3.633 -13.669 1.00 0.00 H new ATOM 1156 N VAL A 104 0.741 -0.088 -17.036 1.00 0.00 N ATOM 1157 CA VAL A 104 1.360 -0.614 -18.247 1.00 0.00 C ATOM 1158 C VAL A 104 0.368 -1.420 -19.087 1.00 0.00 C ATOM 1159 O VAL A 104 -0.500 -2.109 -18.554 1.00 0.00 O ATOM 1160 CB VAL A 104 2.554 -1.495 -17.861 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.227 -2.054 -19.118 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.563 -0.647 -17.080 1.00 0.00 C ATOM 0 H VAL A 104 0.056 -0.706 -16.600 1.00 0.00 H new ATOM 0 HA VAL A 104 1.695 0.228 -18.853 1.00 0.00 H new ATOM 0 HB VAL A 104 2.206 -2.326 -17.248 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.073 -2.678 -18.831 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.509 -2.652 -19.680 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.578 -1.230 -19.740 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.417 -1.264 -16.800 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.902 0.181 -17.703 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.089 -0.254 -16.181 1.00 0.00 H new ATOM 1172 N VAL A 105 0.528 -1.340 -20.409 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.334 -2.086 -21.316 1.00 0.00 C ATOM 1174 C VAL A 105 0.136 -3.534 -21.368 1.00 0.00 C ATOM 1175 O VAL A 105 1.264 -3.815 -21.775 1.00 0.00 O ATOM 1176 CB VAL A 105 -0.291 -1.474 -22.724 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -1.247 -2.233 -23.646 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.715 -0.003 -22.663 1.00 0.00 C ATOM 0 H VAL A 105 1.240 -0.772 -20.868 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.361 -2.042 -20.953 1.00 0.00 H new ATOM 0 HB VAL A 105 0.726 -1.546 -23.111 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.214 -1.796 -24.644 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.948 -3.280 -23.698 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.262 -2.165 -23.254 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.683 0.427 -23.664 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.729 0.067 -22.270 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.035 0.545 -22.011 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.714 -4.450 -20.919 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.351 -5.860 -20.886 1.00 0.00 C ATOM 1190 C ALA A 106 -0.270 -6.470 -22.283 1.00 0.00 C ATOM 1191 O ALA A 106 -0.725 -7.594 -22.496 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.363 -6.636 -20.044 1.00 0.00 C ATOM 0 H ALA A 106 -1.652 -4.243 -20.575 1.00 0.00 H new ATOM 0 HA ALA A 106 0.641 -5.930 -20.439 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.087 -7.690 -20.023 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.369 -6.242 -19.028 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.356 -6.530 -20.480 1.00 0.00 H new ATOM 1198 N GLY A 107 0.309 -5.738 -23.231 1.00 0.00 N ATOM 1199 CA GLY A 107 0.440 -6.244 -24.592 1.00 0.00 C ATOM 1200 C GLY A 107 1.129 -5.219 -25.493 1.00 0.00 C ATOM 1201 O GLY A 107 2.286 -4.862 -25.270 1.00 0.00 O ATOM 0 H GLY A 107 0.691 -4.804 -23.084 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.013 -7.171 -24.586 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.546 -6.481 -24.992 1.00 0.00 H new ATOM 1205 N SER A 108 0.398 -4.749 -26.501 1.00 0.00 N ATOM 1206 CA SER A 108 0.923 -3.761 -27.443 1.00 0.00 C ATOM 1207 C SER A 108 2.443 -3.873 -27.594 1.00 0.00 C ATOM 1208 O SER A 108 3.038 -4.910 -27.297 1.00 0.00 O ATOM 1209 CB SER A 108 0.556 -2.352 -26.968 1.00 0.00 C ATOM 1210 OG SER A 108 1.741 -1.631 -26.662 1.00 0.00 O ATOM 0 H SER A 108 -0.563 -5.037 -26.688 1.00 0.00 H new ATOM 0 HA SER A 108 0.475 -3.956 -28.417 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.009 -1.832 -27.741 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.085 -2.409 -26.088 1.00 0.00 H new ATOM 0 HG SER A 108 1.506 -0.729 -26.360 1.00 0.00 H new ATOM 1216 N ASP A 109 3.060 -2.802 -28.080 1.00 0.00 N ATOM 1217 CA ASP A 109 4.505 -2.780 -28.287 1.00 0.00 C ATOM 1218 C ASP A 109 5.247 -2.776 -26.955 1.00 0.00 C ATOM 1219 O ASP A 109 6.476 -2.716 -26.920 1.00 0.00 O ATOM 1220 CB ASP A 109 4.900 -1.540 -29.091 1.00 0.00 C ATOM 1221 CG ASP A 109 4.273 -1.602 -30.481 1.00 0.00 C ATOM 1222 OD1 ASP A 109 4.003 -2.698 -30.941 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.075 -0.549 -31.068 1.00 0.00 O ATOM 0 H ASP A 109 2.584 -1.938 -28.338 1.00 0.00 H new ATOM 0 HA ASP A 109 4.781 -3.679 -28.839 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.570 -0.640 -28.573 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.985 -1.480 -29.174 1.00 0.00 H new ATOM 1228 N ALA A 110 4.494 -2.836 -25.859 1.00 0.00 N ATOM 1229 CA ALA A 110 5.106 -2.831 -24.537 1.00 0.00 C ATOM 1230 C ALA A 110 5.513 -4.244 -24.135 1.00 0.00 C ATOM 1231 O ALA A 110 6.279 -4.430 -23.189 1.00 0.00 O ATOM 1232 CB ALA A 110 4.130 -2.255 -23.504 1.00 0.00 C ATOM 0 H ALA A 110 3.475 -2.888 -25.860 1.00 0.00 H new ATOM 0 HA ALA A 110 5.997 -2.205 -24.571 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.599 -2.257 -22.520 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.869 -1.233 -23.780 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.227 -2.865 -23.477 1.00 0.00 H new ATOM 1238 N PHE A 111 5.014 -5.241 -24.867 1.00 0.00 N ATOM 1239 CA PHE A 111 5.356 -6.630 -24.584 1.00 0.00 C ATOM 1240 C PHE A 111 5.536 -7.403 -25.894 1.00 0.00 C ATOM 1241 O PHE A 111 4.649 -7.393 -26.748 1.00 0.00 O ATOM 1242 CB PHE A 111 4.255 -7.295 -23.751 1.00 0.00 C ATOM 1243 CG PHE A 111 4.308 -6.775 -22.332 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.195 -7.346 -21.412 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.473 -5.722 -21.937 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.248 -6.865 -20.097 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.527 -5.239 -20.620 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.413 -5.812 -19.701 1.00 0.00 C ATOM 0 H PHE A 111 4.377 -5.112 -25.653 1.00 0.00 H new ATOM 0 HA PHE A 111 6.288 -6.646 -24.020 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.279 -7.088 -24.189 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.384 -8.377 -23.757 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.839 -8.158 -21.716 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.787 -5.282 -22.646 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.933 -7.306 -19.388 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.885 -4.425 -20.316 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.453 -5.443 -18.687 1.00 0.00 H new ATOM 1258 N PRO A 112 6.654 -8.067 -26.071 1.00 0.00 N ATOM 1259 CA PRO A 112 6.925 -8.850 -27.308 1.00 0.00 C ATOM 1260 C PRO A 112 5.779 -9.805 -27.630 1.00 0.00 C ATOM 1261 O PRO A 112 4.624 -9.538 -27.300 1.00 0.00 O ATOM 1262 CB PRO A 112 8.204 -9.635 -27.010 1.00 0.00 C ATOM 1263 CG PRO A 112 8.808 -9.038 -25.779 1.00 0.00 C ATOM 1264 CD PRO A 112 7.766 -8.136 -25.116 1.00 0.00 C ATOM 0 HA PRO A 112 7.028 -8.198 -28.175 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.981 -10.691 -26.857 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.898 -9.574 -27.848 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.121 -9.824 -25.091 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.699 -8.464 -26.034 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.440 -8.547 -24.161 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.174 -7.146 -24.914 1.00 0.00 H new ATOM 1272 N ASP A 113 6.110 -10.922 -28.267 1.00 0.00 N ATOM 1273 CA ASP A 113 5.103 -11.916 -28.620 1.00 0.00 C ATOM 1274 C ASP A 113 5.699 -13.318 -28.507 1.00 0.00 C ATOM 1275 O ASP A 113 6.281 -13.835 -29.462 1.00 0.00 O ATOM 1276 CB ASP A 113 4.607 -11.686 -30.047 1.00 0.00 C ATOM 1277 CG ASP A 113 3.248 -12.352 -30.224 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.943 -13.238 -29.443 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.528 -11.963 -31.130 1.00 0.00 O ATOM 0 H ASP A 113 7.061 -11.161 -28.548 1.00 0.00 H new ATOM 0 HA ASP A 113 4.262 -11.821 -27.933 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.530 -10.618 -30.249 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.321 -12.095 -30.762 1.00 0.00 H new ATOM 1284 N PRO A 114 5.587 -13.924 -27.352 1.00 0.00 N ATOM 1285 CA PRO A 114 6.148 -15.283 -27.086 1.00 0.00 C ATOM 1286 C PRO A 114 5.265 -16.412 -27.610 1.00 0.00 C ATOM 1287 O PRO A 114 5.665 -17.575 -27.604 1.00 0.00 O ATOM 1288 CB PRO A 114 6.217 -15.323 -25.561 1.00 0.00 C ATOM 1289 CG PRO A 114 5.079 -14.472 -25.107 1.00 0.00 C ATOM 1290 CD PRO A 114 4.905 -13.380 -26.165 1.00 0.00 C ATOM 0 HA PRO A 114 7.104 -15.434 -27.588 1.00 0.00 H new ATOM 0 HB2 PRO A 114 6.123 -16.343 -25.187 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.169 -14.937 -25.198 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.169 -15.063 -25.006 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.286 -14.036 -24.130 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.852 -13.182 -26.365 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.351 -12.439 -25.844 1.00 0.00 H new ATOM 1298 N CYS A 115 4.065 -16.068 -28.057 1.00 0.00 N ATOM 1299 CA CYS A 115 3.152 -17.079 -28.574 1.00 0.00 C ATOM 1300 C CYS A 115 1.916 -16.444 -29.205 1.00 0.00 C ATOM 1301 O CYS A 115 0.859 -16.381 -28.578 1.00 0.00 O ATOM 1302 CB CYS A 115 2.714 -18.011 -27.445 1.00 0.00 C ATOM 1303 SG CYS A 115 2.372 -17.038 -25.962 1.00 0.00 S ATOM 0 H CYS A 115 3.705 -15.114 -28.073 1.00 0.00 H new ATOM 0 HA CYS A 115 3.682 -17.643 -29.341 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.824 -18.567 -27.742 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.494 -18.744 -27.240 1.00 0.00 H new ATOM 1308 N PRO A 116 2.018 -15.990 -30.427 1.00 0.00 N ATOM 1309 CA PRO A 116 0.870 -15.366 -31.138 1.00 0.00 C ATOM 1310 C PRO A 116 -0.205 -16.394 -31.474 1.00 0.00 C ATOM 1311 O PRO A 116 0.069 -17.593 -31.522 1.00 0.00 O ATOM 1312 CB PRO A 116 1.489 -14.775 -32.404 1.00 0.00 C ATOM 1313 CG PRO A 116 2.761 -15.524 -32.627 1.00 0.00 C ATOM 1314 CD PRO A 116 3.231 -16.028 -31.264 1.00 0.00 C ATOM 0 HA PRO A 116 0.368 -14.613 -30.530 1.00 0.00 H new ATOM 0 HB2 PRO A 116 0.817 -14.885 -33.255 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.680 -13.709 -32.284 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.602 -16.357 -33.312 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.514 -14.878 -33.079 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.637 -17.037 -31.331 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.018 -15.394 -30.854 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.423 -15.926 -31.705 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.518 -16.831 -32.033 1.00 0.00 C ATOM 1324 C GLY A 117 -3.187 -17.346 -30.765 1.00 0.00 C ATOM 1325 O GLY A 117 -4.198 -18.044 -30.826 1.00 0.00 O ATOM 0 H GLY A 117 -1.677 -14.939 -31.673 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.251 -16.314 -32.653 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.141 -17.670 -32.618 1.00 0.00 H new ATOM 1329 N THR A 118 -2.628 -16.985 -29.613 1.00 0.00 N ATOM 1330 CA THR A 118 -3.188 -17.400 -28.331 1.00 0.00 C ATOM 1331 C THR A 118 -3.441 -16.169 -27.473 1.00 0.00 C ATOM 1332 O THR A 118 -2.706 -15.184 -27.567 1.00 0.00 O ATOM 1333 CB THR A 118 -2.228 -18.354 -27.611 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.948 -19.464 -28.450 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.871 -18.844 -26.311 1.00 0.00 C ATOM 0 H THR A 118 -1.790 -16.408 -29.541 1.00 0.00 H new ATOM 0 HA THR A 118 -4.128 -17.925 -28.504 1.00 0.00 H new ATOM 0 HB THR A 118 -1.301 -17.830 -27.380 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.333 -20.074 -27.991 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.188 -19.522 -25.800 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.085 -17.991 -25.667 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.799 -19.368 -26.539 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.470 -16.213 -26.634 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.769 -15.076 -25.780 1.00 0.00 C ATOM 1345 C TYR A 119 -3.939 -15.167 -24.505 1.00 0.00 C ATOM 1346 O TYR A 119 -4.014 -16.153 -23.773 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.256 -15.045 -25.448 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.574 -13.736 -24.781 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.465 -13.614 -23.393 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -6.968 -12.640 -25.554 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.755 -12.394 -22.777 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.258 -11.421 -24.939 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.152 -11.297 -23.551 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.439 -10.092 -22.946 1.00 0.00 O ATOM 0 H TYR A 119 -5.099 -17.009 -26.529 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.516 -14.154 -26.304 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.848 -15.160 -26.356 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.514 -15.876 -24.792 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.157 -14.461 -22.798 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.048 -12.736 -26.627 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.673 -12.297 -21.704 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.564 -10.574 -25.535 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.626 -9.546 -22.902 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.095 -14.170 -24.292 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.185 -14.183 -23.155 1.00 0.00 C ATOM 1366 C LYS A 120 -2.702 -13.431 -21.922 1.00 0.00 C ATOM 1367 O LYS A 120 -3.895 -13.170 -21.754 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.858 -13.571 -23.605 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.398 -14.286 -24.871 1.00 0.00 C ATOM 1370 CD LYS A 120 0.884 -13.639 -25.393 1.00 0.00 C ATOM 1371 CE LYS A 120 1.176 -14.157 -26.801 1.00 0.00 C ATOM 1372 NZ LYS A 120 1.256 -13.007 -27.742 1.00 0.00 N ATOM 0 H LYS A 120 -3.020 -13.345 -24.887 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.076 -15.221 -22.842 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.978 -12.504 -23.795 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.109 -13.672 -22.820 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.224 -15.341 -24.661 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.177 -14.236 -25.631 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.777 -12.554 -25.407 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.717 -13.869 -24.729 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.113 -14.714 -26.809 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.393 -14.846 -27.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 2.073 -13.132 -28.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.385 -12.960 -28.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.367 -12.124 -27.203 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.728 -13.038 -21.116 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.965 -12.247 -19.920 1.00 0.00 C ATOM 1388 C TYR A 121 -0.648 -11.847 -19.275 1.00 0.00 C ATOM 1389 O TYR A 121 0.427 -12.250 -19.723 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.865 -12.985 -18.917 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.256 -14.304 -18.515 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.079 -14.343 -17.759 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.889 -15.493 -18.885 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.531 -15.572 -17.381 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.347 -16.722 -18.503 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.165 -16.763 -17.752 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.629 -17.976 -17.379 1.00 0.00 O ATOM 0 H TYR A 121 -0.745 -13.261 -21.275 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.492 -11.342 -20.222 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.015 -12.365 -18.033 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.847 -13.153 -19.359 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.594 -13.423 -17.468 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.798 -15.462 -19.467 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.381 -15.602 -16.803 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.839 -17.641 -18.786 1.00 0.00 H new ATOM 0 HH TYR A 121 0.169 -17.826 -16.830 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.742 -11.061 -18.215 1.00 0.00 N ATOM 1408 CA LEU A 122 0.441 -10.612 -17.498 1.00 0.00 C ATOM 1409 C LEU A 122 0.232 -10.784 -15.996 1.00 0.00 C ATOM 1410 O LEU A 122 -0.756 -10.305 -15.442 1.00 0.00 O ATOM 1411 CB LEU A 122 0.696 -9.143 -17.828 1.00 0.00 C ATOM 1412 CG LEU A 122 1.959 -8.651 -17.119 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.193 -9.279 -17.770 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.040 -7.129 -17.246 1.00 0.00 C ATOM 0 H LEU A 122 -1.624 -10.721 -17.832 1.00 0.00 H new ATOM 0 HA LEU A 122 1.303 -11.207 -17.801 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.804 -9.019 -18.906 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.159 -8.541 -17.522 1.00 0.00 H new ATOM 0 HG LEU A 122 1.922 -8.936 -16.067 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.091 -8.927 -17.263 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.134 -10.364 -17.690 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.235 -8.994 -18.821 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.938 -6.769 -16.743 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.079 -6.853 -18.300 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.161 -6.678 -16.786 1.00 0.00 H new ATOM 1426 N GLU A 123 1.169 -11.469 -15.341 1.00 0.00 N ATOM 1427 CA GLU A 123 1.070 -11.693 -13.902 1.00 0.00 C ATOM 1428 C GLU A 123 2.283 -11.101 -13.204 1.00 0.00 C ATOM 1429 O GLU A 123 3.416 -11.332 -13.624 1.00 0.00 O ATOM 1430 CB GLU A 123 1.000 -13.195 -13.610 1.00 0.00 C ATOM 1431 CG GLU A 123 0.440 -13.431 -12.206 1.00 0.00 C ATOM 1432 CD GLU A 123 0.780 -12.261 -11.290 1.00 0.00 C ATOM 1433 OE1 GLU A 123 1.913 -12.195 -10.842 1.00 0.00 O ATOM 1434 OE2 GLU A 123 -0.096 -11.444 -11.052 1.00 0.00 O ATOM 0 H GLU A 123 1.996 -11.874 -15.779 1.00 0.00 H new ATOM 0 HA GLU A 123 0.165 -11.211 -13.532 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.369 -13.688 -14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.993 -13.636 -13.693 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.641 -13.558 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.851 -14.353 -11.795 1.00 0.00 H new ATOM 1441 N VAL A 124 2.051 -10.319 -12.152 1.00 0.00 N ATOM 1442 CA VAL A 124 3.168 -9.700 -11.450 1.00 0.00 C ATOM 1443 C VAL A 124 3.074 -9.840 -9.935 1.00 0.00 C ATOM 1444 O VAL A 124 2.104 -9.405 -9.313 1.00 0.00 O ATOM 1445 CB VAL A 124 3.235 -8.211 -11.792 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.563 -7.630 -11.297 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.130 -8.021 -13.305 1.00 0.00 C ATOM 0 H VAL A 124 1.127 -10.104 -11.777 1.00 0.00 H new ATOM 0 HA VAL A 124 4.066 -10.223 -11.780 1.00 0.00 H new ATOM 0 HB VAL A 124 2.407 -7.695 -11.306 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.609 -6.569 -11.541 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.636 -7.757 -10.217 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.390 -8.150 -11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.178 -6.958 -13.542 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.954 -8.540 -13.795 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.183 -8.429 -13.658 1.00 0.00 H new ATOM 1457 N GLN A 125 4.116 -10.425 -9.352 1.00 0.00 N ATOM 1458 CA GLN A 125 4.190 -10.601 -7.911 1.00 0.00 C ATOM 1459 C GLN A 125 5.218 -9.617 -7.353 1.00 0.00 C ATOM 1460 O GLN A 125 6.350 -9.560 -7.835 1.00 0.00 O ATOM 1461 CB GLN A 125 4.601 -12.044 -7.596 1.00 0.00 C ATOM 1462 CG GLN A 125 3.462 -12.991 -7.989 1.00 0.00 C ATOM 1463 CD GLN A 125 3.966 -14.082 -8.935 1.00 0.00 C ATOM 1464 OE1 GLN A 125 4.926 -14.785 -8.622 1.00 0.00 O ATOM 1465 NE2 GLN A 125 3.363 -14.265 -10.081 1.00 0.00 N ATOM 0 H GLN A 125 4.923 -10.786 -9.861 1.00 0.00 H new ATOM 0 HA GLN A 125 3.220 -10.409 -7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.509 -12.303 -8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.825 -12.147 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.037 -13.447 -7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.663 -12.427 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.567 -13.681 -10.338 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.688 -14.992 -10.718 1.00 0.00 H new ATOM 1474 N TYR A 126 4.809 -8.809 -6.377 1.00 0.00 N ATOM 1475 CA TYR A 126 5.713 -7.803 -5.827 1.00 0.00 C ATOM 1476 C TYR A 126 5.348 -7.420 -4.393 1.00 0.00 C ATOM 1477 O TYR A 126 4.292 -7.793 -3.880 1.00 0.00 O ATOM 1478 CB TYR A 126 5.660 -6.566 -6.724 1.00 0.00 C ATOM 1479 CG TYR A 126 4.325 -5.880 -6.566 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.220 -6.337 -7.294 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.192 -4.782 -5.709 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.983 -5.696 -7.164 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.955 -4.143 -5.576 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.850 -4.598 -6.304 1.00 0.00 C ATOM 1485 OH TYR A 126 0.631 -3.967 -6.175 1.00 0.00 O ATOM 0 H TYR A 126 3.879 -8.829 -5.959 1.00 0.00 H new ATOM 0 HA TYR A 126 6.719 -8.221 -5.799 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.465 -5.880 -6.462 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.812 -6.853 -7.765 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.322 -7.184 -7.956 1.00 0.00 H new ATOM 0 HD2 TYR A 126 5.045 -4.428 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.131 -6.048 -7.727 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.853 -3.298 -4.911 1.00 0.00 H new ATOM 0 HH TYR A 126 0.712 -3.226 -5.539 1.00 0.00 H new ATOM 1495 N ASP A 127 6.239 -6.666 -3.751 1.00 0.00 N ATOM 1496 CA ASP A 127 6.016 -6.227 -2.374 1.00 0.00 C ATOM 1497 C ASP A 127 6.167 -4.715 -2.253 1.00 0.00 C ATOM 1498 O ASP A 127 6.760 -4.064 -3.115 1.00 0.00 O ATOM 1499 CB ASP A 127 7.021 -6.905 -1.440 1.00 0.00 C ATOM 1500 CG ASP A 127 6.761 -8.406 -1.389 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.972 -8.823 -0.558 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.353 -9.115 -2.185 1.00 0.00 O ATOM 0 H ASP A 127 7.118 -6.348 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 127 5.000 -6.505 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.037 -6.716 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.942 -6.481 -0.439 1.00 0.00 H new ATOM 1507 N CYS A 128 5.627 -4.165 -1.170 1.00 0.00 N ATOM 1508 CA CYS A 128 5.708 -2.732 -0.928 1.00 0.00 C ATOM 1509 C CYS A 128 6.610 -2.452 0.274 1.00 0.00 C ATOM 1510 O CYS A 128 6.314 -2.859 1.397 1.00 0.00 O ATOM 1511 CB CYS A 128 4.309 -2.170 -0.678 1.00 0.00 C ATOM 1512 SG CYS A 128 3.321 -2.359 -2.184 1.00 0.00 S ATOM 0 H CYS A 128 5.131 -4.689 -0.449 1.00 0.00 H new ATOM 0 HA CYS A 128 6.135 -2.246 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.835 -2.695 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.370 -1.119 -0.397 1.00 0.00 H new ATOM 1517 N VAL A 129 7.722 -1.773 0.023 1.00 0.00 N ATOM 1518 CA VAL A 129 8.672 -1.466 1.086 1.00 0.00 C ATOM 1519 C VAL A 129 8.814 0.044 1.282 1.00 0.00 C ATOM 1520 O VAL A 129 8.509 0.818 0.375 1.00 0.00 O ATOM 1521 CB VAL A 129 10.034 -2.069 0.734 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.949 -3.594 0.803 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.422 -1.652 -0.687 1.00 0.00 C ATOM 0 H VAL A 129 7.987 -1.427 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 129 8.301 -1.895 2.017 1.00 0.00 H new ATOM 0 HB VAL A 129 10.783 -1.711 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.919 -4.024 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.667 -3.897 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.201 -3.949 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.392 -2.080 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.671 -2.013 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.479 -0.565 -0.744 1.00 0.00 H new ATOM 1533 N PRO A 130 9.280 0.480 2.435 1.00 0.00 N ATOM 1534 CA PRO A 130 9.467 1.936 2.719 1.00 0.00 C ATOM 1535 C PRO A 130 10.451 2.589 1.747 1.00 0.00 C ATOM 1536 O PRO A 130 11.405 1.956 1.297 1.00 0.00 O ATOM 1537 CB PRO A 130 10.013 1.984 4.150 1.00 0.00 C ATOM 1538 CG PRO A 130 9.735 0.645 4.747 1.00 0.00 C ATOM 1539 CD PRO A 130 9.676 -0.348 3.588 1.00 0.00 C ATOM 0 HA PRO A 130 8.533 2.486 2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.082 2.197 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.530 2.774 4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.516 0.367 5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.794 0.654 5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.641 -0.828 3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.953 -1.142 3.778 1.00 0.00 H new ATOM 1547 N TYR A 131 10.210 3.856 1.432 1.00 0.00 N ATOM 1548 CA TYR A 131 11.088 4.585 0.514 1.00 0.00 C ATOM 1549 C TYR A 131 12.352 5.061 1.230 1.00 0.00 C ATOM 1550 O TYR A 131 12.281 5.582 2.343 1.00 0.00 O ATOM 1551 CB TYR A 131 10.352 5.776 -0.100 1.00 0.00 C ATOM 1552 CG TYR A 131 11.261 6.445 -1.094 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.725 5.728 -2.203 1.00 0.00 C ATOM 1554 CD2 TYR A 131 11.650 7.777 -0.903 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.581 6.340 -3.122 1.00 0.00 C ATOM 1556 CE2 TYR A 131 12.505 8.392 -1.824 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.971 7.674 -2.935 1.00 0.00 C ATOM 1558 OH TYR A 131 13.816 8.277 -3.841 1.00 0.00 O ATOM 0 H TYR A 131 9.424 4.398 1.792 1.00 0.00 H new ATOM 0 HA TYR A 131 11.380 3.903 -0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.437 5.443 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.059 6.481 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.421 4.702 -2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 131 11.291 8.328 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.942 5.786 -3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 131 12.806 9.419 -1.679 1.00 0.00 H new ATOM 0 HH TYR A 131 13.986 9.202 -3.565 1.00 0.00 H new ATOM 1568 N LYS A 132 13.509 4.866 0.587 1.00 0.00 N ATOM 1569 CA LYS A 132 14.788 5.265 1.177 1.00 0.00 C ATOM 1570 C LYS A 132 15.220 6.642 0.681 1.00 0.00 C ATOM 1571 O LYS A 132 15.138 6.935 -0.512 1.00 0.00 O ATOM 1572 CB LYS A 132 15.873 4.251 0.810 1.00 0.00 C ATOM 1573 CG LYS A 132 17.082 4.447 1.727 1.00 0.00 C ATOM 1574 CD LYS A 132 18.247 3.578 1.243 1.00 0.00 C ATOM 1575 CE LYS A 132 19.407 3.674 2.239 1.00 0.00 C ATOM 1576 NZ LYS A 132 19.734 2.318 2.761 1.00 0.00 N ATOM 0 H LYS A 132 13.584 4.437 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 132 14.655 5.302 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 132 15.487 3.237 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 132 16.168 4.378 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 132 17.378 5.496 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 132 16.820 4.182 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 132 17.924 2.542 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 132 18.573 3.906 0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 132 20.281 4.108 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 132 19.138 4.336 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 20.522 2.387 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 18.901 1.920 3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 20.008 1.699 1.972 1.00 0.00 H new ATOM 1590 N VAL A 133 15.697 7.480 1.600 1.00 0.00 N ATOM 1591 CA VAL A 133 16.158 8.820 1.237 1.00 0.00 C ATOM 1592 C VAL A 133 17.686 8.877 1.210 1.00 0.00 C ATOM 1593 O VAL A 133 18.347 8.502 2.178 1.00 0.00 O ATOM 1594 CB VAL A 133 15.614 9.848 2.234 1.00 0.00 C ATOM 1595 CG1 VAL A 133 16.270 9.641 3.603 1.00 0.00 C ATOM 1596 CG2 VAL A 133 15.924 11.260 1.732 1.00 0.00 C ATOM 0 H VAL A 133 15.774 7.258 2.593 1.00 0.00 H new ATOM 0 HA VAL A 133 15.786 9.055 0.240 1.00 0.00 H new ATOM 0 HB VAL A 133 14.536 9.721 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 133 15.880 10.375 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 133 16.049 8.637 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 133 17.349 9.764 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 133 15.537 11.992 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 133 17.003 11.383 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 133 15.453 11.412 0.761 1.00 0.00 H new ATOM 1606 N GLU A 134 18.236 9.355 0.096 1.00 0.00 N ATOM 1607 CA GLU A 134 19.688 9.464 -0.055 1.00 0.00 C ATOM 1608 C GLU A 134 20.359 8.104 0.112 1.00 0.00 C ATOM 1609 O GLU A 134 20.303 7.320 -0.821 1.00 0.00 O ATOM 1610 CB GLU A 134 20.250 10.439 0.978 1.00 0.00 C ATOM 1611 CG GLU A 134 19.686 11.834 0.708 1.00 0.00 C ATOM 1612 CD GLU A 134 20.049 12.275 -0.705 1.00 0.00 C ATOM 1613 OE1 GLU A 134 21.066 11.820 -1.203 1.00 0.00 O ATOM 1614 OE2 GLU A 134 19.304 13.059 -1.271 1.00 0.00 O ATOM 1615 OXT GLU A 134 20.926 7.867 1.167 1.00 0.00 O ATOM 0 H GLU A 134 17.702 9.672 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 134 19.896 9.834 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 134 19.985 10.115 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 134 21.339 10.457 0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 134 18.603 11.828 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 134 20.084 12.544 1.433 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.658 1.432 -5.908 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.663 1.078 -6.971 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.797 0.298 -6.357 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.435 1.118 -5.266 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.378 1.525 -4.252 1.00 0.00 C HETATM 1628 C6 NAG A 135 17.934 2.475 -3.198 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.107 0.667 -9.294 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.429 -0.195 -10.328 1.00 0.00 C HETATM 1631 N2 NAG A 135 16.020 0.281 -8.025 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.766 -0.026 -7.366 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.463 0.355 -4.614 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.277 2.200 -4.903 1.00 0.00 O HETATM 1635 O6 NAG A 135 17.176 2.403 -1.981 1.00 0.00 O HETATM 1636 O7 NAG A 135 16.709 1.682 -9.643 1.00 0.00 O HETATM 0 HO6 NAG A 135 17.784 2.442 -1.214 1.00 0.00 H new HETATM 0 HO4 NAG A 135 20.160 0.960 -4.285 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.502 -0.531 -6.962 1.00 0.00 H new HETATM 0 HN2 NAG A 135 15.508 -0.567 -7.783 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.854 -1.198 -10.301 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.361 -0.248 -10.114 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.580 0.237 -11.317 1.00 0.00 H new HETATM 0 H62 NAG A 135 18.976 2.228 -2.995 1.00 0.00 H new HETATM 0 H61 NAG A 135 17.917 3.496 -3.580 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.043 0.604 -3.775 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.881 2.011 -5.704 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.414 -0.629 -5.929 1.00 0.00 H new HETATM 0 H2 NAG A 135 17.055 1.995 -7.412 1.00 0.00 H new