USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 88 HECFE :(H bumps) USER MOD NoAdj-H: A 88 HEC HAC : A 88 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 88 HEC HAB : A 88 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 76 TYR OH : rot -113:sc= 0.895 USER MOD Set 1.2: A 80 GLN : amide:sc= -3.79! C(o=-2.9!,f=-4.7!) USER MOD Set 2.1: A 50 GLN : amide:sc= -27.8! C(o=-36!,f=-42!) USER MOD Set 2.2: A 58 MET CE :methyl -156:sc= -8.03! (180deg=-5.49!) USER MOD Set 3.1: A 26 MET CE :methyl -141:sc= -4.4! (180deg=-2.97!) USER MOD Set 3.2: A 56 ASN : amide:sc= -2.8 K(o=-7.2,f=-12!) USER MOD Set 4.1: A 8 LYS NZ :NH3+ -171:sc= -1.5 (180deg=0) USER MOD Set 4.2: A 69 GLN : amide:sc= -10.3! C(o=-12!,f=-15!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -2.09 K(o=-2.1,f=-5.9!) USER MOD Single : A 11 SER OG : rot -37:sc= 1.12 USER MOD Single : A 13 ASN :FLIP amide:sc= -7.46! C(o=-12!,f=-7.5!) USER MOD Single : A 19 MET CE :methyl -156:sc= -0.118 (180deg=-1.3) USER MOD Single : A 23 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.6!) USER MOD Single : A 28 ASN :FLIP amide:sc= -1.55! C(o=-2.5!,f=-1.5!) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 0.0366 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.15! C(o=-4.1!,f=-2.1!) USER MOD Single : A 41 MET CE :methyl 162:sc= -9.89! (180deg=-10.6!) USER MOD Single : A 42 TYR OH : rot 88:sc= 0.771 USER MOD Single : A 43 SER OG : rot 180:sc= 0.292 USER MOD Single : A 49 TYR OH : rot 165:sc= -1.84! USER MOD Single : A 52 GLN :FLIP amide:sc= -1.65! C(o=-3.9!,f=-1.7!) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -8.34! C(o=-12!,f=-8.3!) USER MOD Single : A 55 LYS NZ :NH3+ -103:sc= -1.14! (180deg=-2.54!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -2.68 X(o=-2.7,f=-3.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HEC O2A : rot 171:sc= 0.469 USER MOD Single : A 88 HEC O2D : rot -10:sc= 0.321 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.684 12.264 -21.180 1.00 0.00 N ATOM 2 CA ALA A 1 28.377 11.305 -22.088 1.00 0.00 C ATOM 3 C ALA A 1 29.578 10.692 -21.362 1.00 0.00 C ATOM 4 O ALA A 1 30.703 11.118 -21.537 1.00 0.00 O ATOM 5 CB ALA A 1 28.862 12.046 -23.336 1.00 0.00 C ATOM 0 H1 ALA A 1 26.868 12.681 -21.672 1.00 0.00 H new ATOM 0 H2 ALA A 1 27.356 11.762 -20.330 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.344 13.019 -20.903 1.00 0.00 H new ATOM 0 HA ALA A 1 27.685 10.515 -22.379 1.00 0.00 H new ATOM 0 HB1 ALA A 1 29.369 11.346 -24.001 1.00 0.00 H new ATOM 0 HB2 ALA A 1 28.009 12.485 -23.853 1.00 0.00 H new ATOM 0 HB3 ALA A 1 29.554 12.836 -23.044 1.00 0.00 H new ATOM 13 N ASP A 2 29.351 9.701 -20.544 1.00 0.00 N ATOM 14 CA ASP A 2 30.479 9.071 -19.807 1.00 0.00 C ATOM 15 C ASP A 2 30.500 7.574 -20.093 1.00 0.00 C ATOM 16 O ASP A 2 29.466 6.948 -20.204 1.00 0.00 O ATOM 17 CB ASP A 2 30.267 9.273 -18.309 1.00 0.00 C ATOM 18 CG ASP A 2 31.604 9.136 -17.580 1.00 0.00 C ATOM 19 OD1 ASP A 2 32.593 8.874 -18.245 1.00 0.00 O ATOM 20 OD2 ASP A 2 31.617 9.295 -16.372 1.00 0.00 O ATOM 0 H ASP A 2 28.432 9.301 -20.355 1.00 0.00 H new ATOM 0 HA ASP A 2 31.418 9.524 -20.124 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.838 10.257 -18.121 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.557 8.538 -17.929 1.00 0.00 H new ATOM 25 N LEU A 3 31.660 6.976 -20.180 1.00 0.00 N ATOM 26 CA LEU A 3 31.704 5.508 -20.427 1.00 0.00 C ATOM 27 C LEU A 3 31.179 4.777 -19.184 1.00 0.00 C ATOM 28 O LEU A 3 31.094 3.567 -19.158 1.00 0.00 O ATOM 29 CB LEU A 3 33.134 5.052 -20.741 1.00 0.00 C ATOM 30 CG LEU A 3 33.943 4.982 -19.453 1.00 0.00 C ATOM 31 CD1 LEU A 3 33.703 3.618 -18.818 1.00 0.00 C ATOM 32 CD2 LEU A 3 35.430 5.157 -19.768 1.00 0.00 C ATOM 0 H LEU A 3 32.567 7.435 -20.092 1.00 0.00 H new ATOM 0 HA LEU A 3 31.078 5.271 -21.287 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.117 4.075 -21.225 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.602 5.746 -21.439 1.00 0.00 H new ATOM 0 HG LEU A 3 33.638 5.774 -18.769 1.00 0.00 H new ATOM 0 HD11 LEU A 3 34.273 3.543 -17.892 1.00 0.00 H new ATOM 0 HD12 LEU A 3 32.641 3.499 -18.602 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.023 2.835 -19.506 1.00 0.00 H new ATOM 0 HD21 LEU A 3 36.006 5.106 -18.844 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.755 4.364 -20.442 1.00 0.00 H new ATOM 0 HD23 LEU A 3 35.590 6.125 -20.243 1.00 0.00 H new ATOM 44 N ALA A 4 30.801 5.505 -18.161 1.00 0.00 N ATOM 45 CA ALA A 4 30.248 4.857 -16.953 1.00 0.00 C ATOM 46 C ALA A 4 28.971 4.172 -17.395 1.00 0.00 C ATOM 47 O ALA A 4 28.700 3.032 -17.073 1.00 0.00 O ATOM 48 CB ALA A 4 29.927 5.925 -15.907 1.00 0.00 C ATOM 0 H ALA A 4 30.856 6.523 -18.120 1.00 0.00 H new ATOM 0 HA ALA A 4 30.950 4.149 -16.513 1.00 0.00 H new ATOM 0 HB1 ALA A 4 29.519 5.450 -15.015 1.00 0.00 H new ATOM 0 HB2 ALA A 4 30.838 6.464 -15.646 1.00 0.00 H new ATOM 0 HB3 ALA A 4 29.195 6.623 -16.313 1.00 0.00 H new ATOM 54 N ASN A 5 28.207 4.871 -18.182 1.00 0.00 N ATOM 55 CA ASN A 5 26.960 4.295 -18.725 1.00 0.00 C ATOM 56 C ASN A 5 27.301 2.913 -19.267 1.00 0.00 C ATOM 57 O ASN A 5 26.495 2.010 -19.288 1.00 0.00 O ATOM 58 CB ASN A 5 26.480 5.199 -19.855 1.00 0.00 C ATOM 59 CG ASN A 5 25.003 5.541 -19.649 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.341 4.954 -18.816 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.453 6.473 -20.379 1.00 0.00 N ATOM 0 H ASN A 5 28.400 5.829 -18.473 1.00 0.00 H new ATOM 0 HA ASN A 5 26.179 4.217 -17.969 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.075 6.112 -19.881 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.618 4.702 -20.815 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.469 6.708 -20.250 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.007 6.967 -21.079 1.00 0.00 H new ATOM 68 N GLY A 6 28.519 2.748 -19.690 1.00 0.00 N ATOM 69 CA GLY A 6 28.959 1.432 -20.214 1.00 0.00 C ATOM 70 C GLY A 6 28.718 0.368 -19.142 1.00 0.00 C ATOM 71 O GLY A 6 28.022 -0.584 -19.361 1.00 0.00 O ATOM 0 H GLY A 6 29.234 3.475 -19.695 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.409 1.184 -21.122 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.015 1.466 -20.481 1.00 0.00 H new ATOM 75 N ALA A 7 29.286 0.525 -17.980 1.00 0.00 N ATOM 76 CA ALA A 7 29.082 -0.487 -16.904 1.00 0.00 C ATOM 77 C ALA A 7 27.605 -0.854 -16.804 1.00 0.00 C ATOM 78 O ALA A 7 27.259 -1.945 -16.410 1.00 0.00 O ATOM 79 CB ALA A 7 29.555 0.078 -15.569 1.00 0.00 C ATOM 0 H ALA A 7 29.884 1.312 -17.727 1.00 0.00 H new ATOM 0 HA ALA A 7 29.658 -1.380 -17.146 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.404 -0.665 -14.786 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.614 0.327 -15.634 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.985 0.976 -15.332 1.00 0.00 H new ATOM 85 N LYS A 8 26.729 0.039 -17.157 1.00 0.00 N ATOM 86 CA LYS A 8 25.280 -0.290 -17.085 1.00 0.00 C ATOM 87 C LYS A 8 24.985 -1.351 -18.145 1.00 0.00 C ATOM 88 O LYS A 8 24.321 -2.337 -17.896 1.00 0.00 O ATOM 89 CB LYS A 8 24.442 0.978 -17.341 1.00 0.00 C ATOM 90 CG LYS A 8 23.091 0.622 -17.997 1.00 0.00 C ATOM 91 CD LYS A 8 23.161 0.834 -19.521 1.00 0.00 C ATOM 92 CE LYS A 8 23.730 2.216 -19.829 1.00 0.00 C ATOM 93 NZ LYS A 8 22.802 2.943 -20.741 1.00 0.00 N ATOM 0 H LYS A 8 26.950 0.977 -17.491 1.00 0.00 H new ATOM 0 HA LYS A 8 25.022 -0.671 -16.097 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.268 1.500 -16.400 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.995 1.660 -17.986 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.836 -0.415 -17.779 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.300 1.241 -17.573 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.786 0.065 -19.975 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.167 0.736 -19.956 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.865 2.779 -18.906 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.712 2.122 -20.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.256 3.818 -21.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.574 2.340 -21.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.927 3.179 -20.230 1.00 0.00 H new ATOM 107 N VAL A 9 25.483 -1.140 -19.329 1.00 0.00 N ATOM 108 CA VAL A 9 25.257 -2.107 -20.434 1.00 0.00 C ATOM 109 C VAL A 9 26.102 -3.365 -20.214 1.00 0.00 C ATOM 110 O VAL A 9 25.602 -4.469 -20.256 1.00 0.00 O ATOM 111 CB VAL A 9 25.646 -1.430 -21.749 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.821 -2.467 -22.863 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.542 -0.451 -22.137 1.00 0.00 C ATOM 0 H VAL A 9 26.045 -0.327 -19.581 1.00 0.00 H new ATOM 0 HA VAL A 9 24.209 -2.405 -20.464 1.00 0.00 H new ATOM 0 HB VAL A 9 26.593 -0.906 -21.616 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.098 -1.963 -23.789 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.605 -3.171 -22.585 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.885 -3.006 -23.009 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.804 0.041 -23.074 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.604 -0.991 -22.261 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.428 0.298 -21.353 1.00 0.00 H new ATOM 123 N PHE A 10 27.378 -3.220 -19.990 1.00 0.00 N ATOM 124 CA PHE A 10 28.225 -4.418 -19.781 1.00 0.00 C ATOM 125 C PHE A 10 27.763 -5.170 -18.531 1.00 0.00 C ATOM 126 O PHE A 10 27.906 -6.371 -18.428 1.00 0.00 O ATOM 127 CB PHE A 10 29.688 -3.979 -19.635 1.00 0.00 C ATOM 128 CG PHE A 10 30.548 -5.191 -19.399 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.438 -5.870 -18.192 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.439 -5.648 -20.383 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.206 -6.998 -17.957 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.211 -6.788 -20.145 1.00 0.00 C ATOM 133 CZ PHE A 10 32.095 -7.465 -18.929 1.00 0.00 C ATOM 0 H PHE A 10 27.866 -2.326 -19.943 1.00 0.00 H new ATOM 0 HA PHE A 10 28.136 -5.087 -20.637 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.015 -3.456 -20.534 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.789 -3.280 -18.805 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.752 -5.517 -17.436 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.527 -5.120 -21.321 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.117 -7.521 -17.016 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.896 -7.145 -20.900 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.690 -8.346 -18.740 1.00 0.00 H new ATOM 143 N SER A 11 27.209 -4.474 -17.587 1.00 0.00 N ATOM 144 CA SER A 11 26.730 -5.144 -16.341 1.00 0.00 C ATOM 145 C SER A 11 25.324 -5.711 -16.567 1.00 0.00 C ATOM 146 O SER A 11 24.627 -6.053 -15.633 1.00 0.00 O ATOM 147 CB SER A 11 26.691 -4.129 -15.195 1.00 0.00 C ATOM 148 OG SER A 11 26.242 -4.769 -14.010 1.00 0.00 O ATOM 0 H SER A 11 27.064 -3.465 -17.619 1.00 0.00 H new ATOM 0 HA SER A 11 27.411 -5.956 -16.086 1.00 0.00 H new ATOM 0 HB2 SER A 11 27.682 -3.704 -15.038 1.00 0.00 H new ATOM 0 HB3 SER A 11 26.026 -3.303 -15.449 1.00 0.00 H new ATOM 0 HG SER A 11 25.548 -5.423 -14.235 1.00 0.00 H new ATOM 154 N GLY A 12 24.902 -5.812 -17.799 1.00 0.00 N ATOM 155 CA GLY A 12 23.549 -6.353 -18.080 1.00 0.00 C ATOM 156 C GLY A 12 23.429 -6.823 -19.540 1.00 0.00 C ATOM 157 O GLY A 12 22.347 -7.106 -20.013 1.00 0.00 O ATOM 0 H GLY A 12 25.440 -5.541 -18.622 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.341 -7.186 -17.409 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.800 -5.587 -17.879 1.00 0.00 H new ATOM 161 N ASN A 13 24.519 -6.925 -20.256 1.00 0.00 N ATOM 162 CA ASN A 13 24.447 -7.389 -21.675 1.00 0.00 C ATOM 163 C ASN A 13 25.801 -7.968 -22.073 1.00 0.00 C ATOM 164 O ASN A 13 25.907 -9.088 -22.529 1.00 0.00 O ATOM 165 CB ASN A 13 24.122 -6.210 -22.599 1.00 0.00 C ATOM 166 CG ASN A 13 23.064 -5.321 -21.949 1.00 0.00 C ATOM 167 OD1 ASN A 13 23.399 -4.125 -21.561 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 21.922 -5.712 -21.806 1.00 0.00 N flip ATOM 0 H ASN A 13 25.457 -6.707 -19.919 1.00 0.00 H new ATOM 0 HA ASN A 13 23.666 -8.144 -21.767 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.024 -5.632 -22.797 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.761 -6.577 -23.560 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.662 -6.650 -22.111 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.224 -5.102 -21.381 1.00 0.00 H new ATOM 175 N CYS A 14 26.838 -7.203 -21.894 1.00 0.00 N ATOM 176 CA CYS A 14 28.198 -7.684 -22.248 1.00 0.00 C ATOM 177 C CYS A 14 28.662 -8.704 -21.203 1.00 0.00 C ATOM 178 O CYS A 14 29.480 -9.561 -21.472 1.00 0.00 O ATOM 179 CB CYS A 14 29.152 -6.493 -22.249 1.00 0.00 C ATOM 180 SG CYS A 14 28.340 -5.059 -23.010 1.00 0.00 S ATOM 0 H CYS A 14 26.801 -6.257 -21.514 1.00 0.00 H new ATOM 0 HA CYS A 14 28.185 -8.153 -23.232 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.452 -6.254 -21.229 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.060 -6.743 -22.798 1.00 0.00 H new ATOM 185 N ALA A 15 28.145 -8.604 -20.010 1.00 0.00 N ATOM 186 CA ALA A 15 28.544 -9.548 -18.924 1.00 0.00 C ATOM 187 C ALA A 15 28.270 -10.995 -19.347 1.00 0.00 C ATOM 188 O ALA A 15 29.036 -11.894 -19.055 1.00 0.00 O ATOM 189 CB ALA A 15 27.734 -9.236 -17.665 1.00 0.00 C ATOM 0 H ALA A 15 27.457 -7.903 -19.737 1.00 0.00 H new ATOM 0 HA ALA A 15 29.610 -9.430 -18.727 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.021 -9.922 -16.868 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.931 -8.211 -17.350 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.671 -9.352 -17.878 1.00 0.00 H new ATOM 195 N ALA A 16 27.172 -11.233 -20.011 1.00 0.00 N ATOM 196 CA ALA A 16 26.830 -12.625 -20.429 1.00 0.00 C ATOM 197 C ALA A 16 27.905 -13.201 -21.358 1.00 0.00 C ATOM 198 O ALA A 16 28.015 -14.401 -21.512 1.00 0.00 O ATOM 199 CB ALA A 16 25.486 -12.614 -21.158 1.00 0.00 C ATOM 0 H ALA A 16 26.494 -10.522 -20.284 1.00 0.00 H new ATOM 0 HA ALA A 16 26.773 -13.251 -19.538 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.231 -13.628 -21.466 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.713 -12.232 -20.491 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.555 -11.974 -22.038 1.00 0.00 H new ATOM 205 N CYS A 17 28.691 -12.371 -21.988 1.00 0.00 N ATOM 206 CA CYS A 17 29.738 -12.905 -22.909 1.00 0.00 C ATOM 207 C CYS A 17 31.118 -12.382 -22.518 1.00 0.00 C ATOM 208 O CYS A 17 32.084 -12.568 -23.229 1.00 0.00 O ATOM 209 CB CYS A 17 29.427 -12.477 -24.326 1.00 0.00 C ATOM 210 SG CYS A 17 27.879 -13.261 -24.873 1.00 0.00 S ATOM 0 H CYS A 17 28.656 -11.355 -21.907 1.00 0.00 H new ATOM 0 HA CYS A 17 29.741 -13.993 -22.838 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.335 -11.392 -24.377 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.244 -12.759 -24.990 1.00 0.00 H new ATOM 215 N HIS A 18 31.224 -11.732 -21.398 1.00 0.00 N ATOM 216 CA HIS A 18 32.550 -11.209 -20.978 1.00 0.00 C ATOM 217 C HIS A 18 32.616 -11.179 -19.453 1.00 0.00 C ATOM 218 O HIS A 18 33.380 -11.893 -18.834 1.00 0.00 O ATOM 219 CB HIS A 18 32.743 -9.799 -21.542 1.00 0.00 C ATOM 220 CG HIS A 18 32.813 -9.863 -23.027 1.00 0.00 C ATOM 221 ND1 HIS A 18 34.020 -9.974 -23.672 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.855 -9.835 -24.006 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.775 -10.016 -24.985 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.468 -9.934 -25.250 1.00 0.00 N ATOM 0 H HIS A 18 30.454 -11.540 -20.757 1.00 0.00 H new ATOM 0 HA HIS A 18 33.342 -11.854 -21.359 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.918 -9.157 -21.234 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.657 -9.358 -21.143 1.00 0.00 H new ATOM 0 HD1 HIS A 18 34.938 -10.017 -23.229 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.792 -9.750 -23.838 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.541 -10.105 -25.741 1.00 0.00 H new ATOM 232 N MET A 19 31.808 -10.363 -18.848 1.00 0.00 N ATOM 233 CA MET A 19 31.793 -10.276 -17.359 1.00 0.00 C ATOM 234 C MET A 19 33.192 -9.945 -16.833 1.00 0.00 C ATOM 235 O MET A 19 34.106 -10.739 -16.933 1.00 0.00 O ATOM 236 CB MET A 19 31.341 -11.608 -16.779 1.00 0.00 C ATOM 237 CG MET A 19 30.251 -11.367 -15.732 1.00 0.00 C ATOM 238 SD MET A 19 29.343 -12.906 -15.442 1.00 0.00 S ATOM 239 CE MET A 19 27.694 -12.175 -15.300 1.00 0.00 C ATOM 0 H MET A 19 31.149 -9.745 -19.322 1.00 0.00 H new ATOM 0 HA MET A 19 31.104 -9.487 -17.058 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.962 -12.252 -17.572 1.00 0.00 H new ATOM 0 HB3 MET A 19 32.187 -12.125 -16.326 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.697 -11.014 -14.802 1.00 0.00 H new ATOM 0 HG3 MET A 19 29.569 -10.589 -16.074 1.00 0.00 H new ATOM 0 HE1 MET A 19 27.052 -12.836 -14.717 1.00 0.00 H new ATOM 0 HE2 MET A 19 27.766 -11.208 -14.802 1.00 0.00 H new ATOM 0 HE3 MET A 19 27.269 -12.040 -16.295 1.00 0.00 H new ATOM 249 N GLY A 20 33.356 -8.778 -16.263 1.00 0.00 N ATOM 250 CA GLY A 20 34.686 -8.382 -15.717 1.00 0.00 C ATOM 251 C GLY A 20 35.795 -8.855 -16.653 1.00 0.00 C ATOM 252 O GLY A 20 36.651 -9.628 -16.272 1.00 0.00 O ATOM 0 H GLY A 20 32.620 -8.080 -16.153 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.733 -7.299 -15.601 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.825 -8.815 -14.726 1.00 0.00 H new ATOM 256 N GLY A 21 35.794 -8.402 -17.877 1.00 0.00 N ATOM 257 CA GLY A 21 36.848 -8.834 -18.818 1.00 0.00 C ATOM 258 C GLY A 21 36.962 -10.356 -18.776 1.00 0.00 C ATOM 259 O GLY A 21 37.900 -10.904 -18.230 1.00 0.00 O ATOM 0 H GLY A 21 35.107 -7.752 -18.259 1.00 0.00 H new ATOM 0 HA2 GLY A 21 36.609 -8.503 -19.828 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.801 -8.378 -18.550 1.00 0.00 H new ATOM 263 N GLY A 22 36.011 -11.048 -19.341 1.00 0.00 N ATOM 264 CA GLY A 22 36.070 -12.535 -19.322 1.00 0.00 C ATOM 265 C GLY A 22 35.260 -13.105 -20.489 1.00 0.00 C ATOM 266 O GLY A 22 34.127 -13.515 -20.328 1.00 0.00 O ATOM 0 H GLY A 22 35.199 -10.649 -19.813 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.106 -12.867 -19.391 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.677 -12.911 -18.377 1.00 0.00 H new ATOM 270 N ASN A 23 35.830 -13.143 -21.663 1.00 0.00 N ATOM 271 CA ASN A 23 35.088 -13.693 -22.834 1.00 0.00 C ATOM 272 C ASN A 23 34.595 -15.104 -22.501 1.00 0.00 C ATOM 273 O ASN A 23 35.059 -15.727 -21.568 1.00 0.00 O ATOM 274 CB ASN A 23 36.019 -13.749 -24.048 1.00 0.00 C ATOM 275 CG ASN A 23 35.226 -13.412 -25.312 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.251 -14.066 -25.624 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.604 -12.408 -26.056 1.00 0.00 N ATOM 0 H ASN A 23 36.776 -12.818 -21.862 1.00 0.00 H new ATOM 0 HA ASN A 23 34.236 -13.052 -23.062 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.841 -13.044 -23.922 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.461 -14.742 -24.136 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.081 -12.173 -26.899 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.423 -11.859 -25.794 1.00 0.00 H new ATOM 284 N VAL A 24 33.656 -15.616 -23.253 1.00 0.00 N ATOM 285 CA VAL A 24 33.141 -16.986 -22.966 1.00 0.00 C ATOM 286 C VAL A 24 32.807 -17.702 -24.277 1.00 0.00 C ATOM 287 O VAL A 24 32.102 -18.691 -24.290 1.00 0.00 O ATOM 288 CB VAL A 24 31.879 -16.887 -22.110 1.00 0.00 C ATOM 289 CG1 VAL A 24 32.147 -15.977 -20.909 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.740 -16.303 -22.947 1.00 0.00 C ATOM 0 H VAL A 24 33.226 -15.147 -24.050 1.00 0.00 H new ATOM 0 HA VAL A 24 33.905 -17.550 -22.431 1.00 0.00 H new ATOM 0 HB VAL A 24 31.600 -17.880 -21.758 1.00 0.00 H new ATOM 0 HG11 VAL A 24 31.247 -15.906 -20.298 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.959 -16.392 -20.312 1.00 0.00 H new ATOM 0 HG13 VAL A 24 32.426 -14.984 -21.260 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.839 -16.232 -22.337 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.019 -15.310 -23.299 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.548 -16.950 -23.803 1.00 0.00 H new ATOM 300 N VAL A 25 33.310 -17.216 -25.379 1.00 0.00 N ATOM 301 CA VAL A 25 33.021 -17.879 -26.682 1.00 0.00 C ATOM 302 C VAL A 25 34.341 -18.182 -27.393 1.00 0.00 C ATOM 303 O VAL A 25 34.625 -19.310 -27.741 1.00 0.00 O ATOM 304 CB VAL A 25 32.168 -16.954 -27.555 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.135 -17.493 -28.988 1.00 0.00 C ATOM 306 CG2 VAL A 25 30.742 -16.897 -27.000 1.00 0.00 C ATOM 0 H VAL A 25 33.907 -16.391 -25.433 1.00 0.00 H new ATOM 0 HA VAL A 25 32.476 -18.807 -26.507 1.00 0.00 H new ATOM 0 HB VAL A 25 32.599 -15.953 -27.551 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.528 -16.835 -29.610 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.149 -17.534 -29.385 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.704 -18.494 -28.990 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.136 -16.238 -27.622 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.310 -17.898 -27.003 1.00 0.00 H new ATOM 0 HG23 VAL A 25 30.764 -16.514 -25.980 1.00 0.00 H new ATOM 316 N MET A 26 35.151 -17.183 -27.606 1.00 0.00 N ATOM 317 CA MET A 26 36.453 -17.413 -28.290 1.00 0.00 C ATOM 318 C MET A 26 37.431 -18.075 -27.315 1.00 0.00 C ATOM 319 O MET A 26 37.068 -18.455 -26.220 1.00 0.00 O ATOM 320 CB MET A 26 37.024 -16.073 -28.755 1.00 0.00 C ATOM 321 CG MET A 26 36.446 -15.725 -30.127 1.00 0.00 C ATOM 322 SD MET A 26 37.046 -16.915 -31.352 1.00 0.00 S ATOM 323 CE MET A 26 37.062 -15.791 -32.769 1.00 0.00 C ATOM 0 H MET A 26 34.967 -16.217 -27.336 1.00 0.00 H new ATOM 0 HA MET A 26 36.304 -18.064 -29.151 1.00 0.00 H new ATOM 0 HB2 MET A 26 36.779 -15.291 -28.036 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.111 -16.127 -28.809 1.00 0.00 H new ATOM 0 HG2 MET A 26 35.357 -15.743 -30.090 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.739 -14.714 -30.412 1.00 0.00 H new ATOM 0 HE1 MET A 26 36.721 -16.322 -33.658 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.399 -14.949 -32.573 1.00 0.00 H new ATOM 0 HE3 MET A 26 38.076 -15.425 -32.931 1.00 0.00 H new ATOM 333 N ALA A 27 38.668 -18.212 -27.704 1.00 0.00 N ATOM 334 CA ALA A 27 39.671 -18.846 -26.802 1.00 0.00 C ATOM 335 C ALA A 27 40.948 -18.007 -26.806 1.00 0.00 C ATOM 336 O ALA A 27 42.042 -18.524 -26.928 1.00 0.00 O ATOM 337 CB ALA A 27 39.985 -20.258 -27.297 1.00 0.00 C ATOM 0 H ALA A 27 39.029 -17.912 -28.610 1.00 0.00 H new ATOM 0 HA ALA A 27 39.271 -18.901 -25.790 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.719 -20.720 -26.637 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.072 -20.854 -27.300 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.388 -20.208 -28.308 1.00 0.00 H new ATOM 343 N ASN A 28 40.818 -16.717 -26.675 1.00 0.00 N ATOM 344 CA ASN A 28 42.017 -15.841 -26.671 1.00 0.00 C ATOM 345 C ASN A 28 41.578 -14.381 -26.549 1.00 0.00 C ATOM 346 O ASN A 28 42.133 -13.616 -25.784 1.00 0.00 O ATOM 347 CB ASN A 28 42.794 -16.032 -27.975 1.00 0.00 C ATOM 348 CG ASN A 28 41.954 -15.513 -29.144 1.00 0.00 C ATOM 349 OD1 ASN A 28 40.915 -16.197 -29.540 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 42.247 -14.475 -29.704 1.00 0.00 N flip ATOM 0 H ASN A 28 39.927 -16.231 -26.570 1.00 0.00 H new ATOM 0 HA ASN A 28 42.656 -16.102 -25.827 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.743 -15.497 -27.928 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.029 -17.086 -28.121 1.00 0.00 H new ATOM 0 HD21 ASN A 28 43.059 -13.940 -29.395 1.00 0.00 H new ATOM 0 HD22 ASN A 28 41.681 -14.139 -30.483 1.00 0.00 H new ATOM 357 N LYS A 29 40.583 -13.989 -27.297 1.00 0.00 N ATOM 358 CA LYS A 29 40.107 -12.578 -27.227 1.00 0.00 C ATOM 359 C LYS A 29 39.325 -12.365 -25.929 1.00 0.00 C ATOM 360 O LYS A 29 38.239 -12.880 -25.754 1.00 0.00 O ATOM 361 CB LYS A 29 39.198 -12.287 -28.420 1.00 0.00 C ATOM 362 CG LYS A 29 39.864 -11.249 -29.325 1.00 0.00 C ATOM 363 CD LYS A 29 39.542 -11.561 -30.788 1.00 0.00 C ATOM 364 CE LYS A 29 40.169 -10.493 -31.686 1.00 0.00 C ATOM 365 NZ LYS A 29 41.529 -10.934 -32.105 1.00 0.00 N ATOM 0 H LYS A 29 40.079 -14.585 -27.954 1.00 0.00 H new ATOM 0 HA LYS A 29 40.965 -11.906 -27.249 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.008 -13.204 -28.978 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.232 -11.918 -28.074 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.512 -10.250 -29.070 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.943 -11.256 -29.170 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.925 -12.546 -31.054 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.462 -11.588 -30.936 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.543 -10.326 -32.562 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.231 -9.544 -31.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 41.839 -10.373 -32.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 42.196 -10.797 -31.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.503 -11.941 -32.365 1.00 0.00 H new ATOM 379 N THR A 30 39.871 -11.608 -25.018 1.00 0.00 N ATOM 380 CA THR A 30 39.164 -11.360 -23.731 1.00 0.00 C ATOM 381 C THR A 30 39.211 -9.872 -23.411 1.00 0.00 C ATOM 382 O THR A 30 40.126 -9.167 -23.787 1.00 0.00 O ATOM 383 CB THR A 30 39.842 -12.164 -22.618 1.00 0.00 C ATOM 384 OG1 THR A 30 39.792 -13.547 -22.942 1.00 0.00 O ATOM 385 CG2 THR A 30 39.125 -11.930 -21.285 1.00 0.00 C ATOM 0 H THR A 30 40.778 -11.150 -25.110 1.00 0.00 H new ATOM 0 HA THR A 30 38.123 -11.673 -23.811 1.00 0.00 H new ATOM 0 HB THR A 30 40.879 -11.840 -22.525 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.227 -14.065 -22.233 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.616 -12.507 -20.501 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.162 -10.870 -21.033 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.085 -12.246 -21.371 1.00 0.00 H new ATOM 393 N LEU A 31 38.208 -9.393 -22.743 1.00 0.00 N ATOM 394 CA LEU A 31 38.145 -7.952 -22.412 1.00 0.00 C ATOM 395 C LEU A 31 39.109 -7.606 -21.289 1.00 0.00 C ATOM 396 O LEU A 31 39.430 -6.458 -21.092 1.00 0.00 O ATOM 397 CB LEU A 31 36.729 -7.618 -21.966 1.00 0.00 C ATOM 398 CG LEU A 31 35.924 -7.203 -23.193 1.00 0.00 C ATOM 399 CD1 LEU A 31 36.174 -8.187 -24.340 1.00 0.00 C ATOM 400 CD2 LEU A 31 34.440 -7.177 -22.868 1.00 0.00 C ATOM 0 H LEU A 31 37.419 -9.946 -22.408 1.00 0.00 H new ATOM 0 HA LEU A 31 38.422 -7.377 -23.295 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.269 -8.481 -21.485 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.743 -6.813 -21.231 1.00 0.00 H new ATOM 0 HG LEU A 31 36.242 -6.204 -23.493 1.00 0.00 H new ATOM 0 HD11 LEU A 31 35.595 -7.883 -25.212 1.00 0.00 H new ATOM 0 HD12 LEU A 31 37.235 -8.191 -24.591 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.870 -9.188 -24.033 1.00 0.00 H new ATOM 0 HD21 LEU A 31 33.879 -6.879 -23.754 1.00 0.00 H new ATOM 0 HD22 LEU A 31 34.119 -8.170 -22.552 1.00 0.00 H new ATOM 0 HD23 LEU A 31 34.256 -6.464 -22.065 1.00 0.00 H new ATOM 412 N LYS A 32 39.553 -8.570 -20.537 1.00 0.00 N ATOM 413 CA LYS A 32 40.469 -8.259 -19.410 1.00 0.00 C ATOM 414 C LYS A 32 41.488 -7.193 -19.826 1.00 0.00 C ATOM 415 O LYS A 32 41.316 -6.022 -19.554 1.00 0.00 O ATOM 416 CB LYS A 32 41.208 -9.525 -18.976 1.00 0.00 C ATOM 417 CG LYS A 32 40.892 -9.827 -17.511 1.00 0.00 C ATOM 418 CD LYS A 32 40.507 -11.299 -17.374 1.00 0.00 C ATOM 419 CE LYS A 32 41.773 -12.148 -17.251 1.00 0.00 C ATOM 420 NZ LYS A 32 41.859 -13.085 -18.406 1.00 0.00 N ATOM 0 H LYS A 32 39.322 -9.557 -20.653 1.00 0.00 H new ATOM 0 HA LYS A 32 39.876 -7.878 -18.578 1.00 0.00 H new ATOM 0 HB2 LYS A 32 40.910 -10.365 -19.603 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.282 -9.394 -19.107 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.757 -9.605 -16.887 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.077 -9.192 -17.164 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.875 -11.440 -16.497 1.00 0.00 H new ATOM 0 HD3 LYS A 32 39.926 -11.616 -18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.653 -11.505 -17.224 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.759 -12.708 -16.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.720 -13.662 -18.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.025 -13.706 -18.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.892 -12.542 -19.292 1.00 0.00 H new ATOM 434 N LYS A 33 42.550 -7.589 -20.476 1.00 0.00 N ATOM 435 CA LYS A 33 43.581 -6.597 -20.896 1.00 0.00 C ATOM 436 C LYS A 33 44.767 -7.335 -21.514 1.00 0.00 C ATOM 437 O LYS A 33 45.315 -6.927 -22.517 1.00 0.00 O ATOM 438 CB LYS A 33 44.067 -5.822 -19.672 1.00 0.00 C ATOM 439 CG LYS A 33 44.649 -6.802 -18.649 1.00 0.00 C ATOM 440 CD LYS A 33 45.072 -6.042 -17.391 1.00 0.00 C ATOM 441 CE LYS A 33 46.598 -5.924 -17.359 1.00 0.00 C ATOM 442 NZ LYS A 33 46.983 -4.599 -16.799 1.00 0.00 N ATOM 0 H LYS A 33 42.748 -8.556 -20.734 1.00 0.00 H new ATOM 0 HA LYS A 33 43.149 -5.909 -21.623 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.823 -5.094 -19.965 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.242 -5.264 -19.229 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.909 -7.561 -18.396 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.506 -7.323 -19.076 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.619 -5.051 -17.382 1.00 0.00 H new ATOM 0 HD3 LYS A 33 44.717 -6.563 -16.501 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.022 -6.724 -16.752 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.003 -6.037 -18.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.020 -4.519 -16.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.590 -3.843 -17.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.609 -4.508 -15.833 1.00 0.00 H new ATOM 456 N GLU A 34 45.169 -8.414 -20.909 1.00 0.00 N ATOM 457 CA GLU A 34 46.324 -9.185 -21.435 1.00 0.00 C ATOM 458 C GLU A 34 46.060 -9.576 -22.887 1.00 0.00 C ATOM 459 O GLU A 34 46.961 -9.637 -23.699 1.00 0.00 O ATOM 460 CB GLU A 34 46.516 -10.453 -20.600 1.00 0.00 C ATOM 461 CG GLU A 34 46.669 -10.079 -19.125 1.00 0.00 C ATOM 462 CD GLU A 34 48.103 -10.366 -18.674 1.00 0.00 C ATOM 463 OE1 GLU A 34 48.998 -10.242 -19.494 1.00 0.00 O ATOM 464 OE2 GLU A 34 48.282 -10.704 -17.515 1.00 0.00 O ATOM 0 H GLU A 34 44.743 -8.798 -20.065 1.00 0.00 H new ATOM 0 HA GLU A 34 47.222 -8.570 -21.379 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.663 -11.119 -20.730 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.398 -10.995 -20.941 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.434 -9.025 -18.980 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.965 -10.649 -18.519 1.00 0.00 H new ATOM 471 N ALA A 35 44.831 -9.854 -23.215 1.00 0.00 N ATOM 472 CA ALA A 35 44.502 -10.258 -24.601 1.00 0.00 C ATOM 473 C ALA A 35 43.949 -9.068 -25.385 1.00 0.00 C ATOM 474 O ALA A 35 44.255 -8.890 -26.547 1.00 0.00 O ATOM 475 CB ALA A 35 43.457 -11.373 -24.569 1.00 0.00 C ATOM 0 H ALA A 35 44.037 -9.817 -22.575 1.00 0.00 H new ATOM 0 HA ALA A 35 45.409 -10.613 -25.090 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.213 -11.672 -25.588 1.00 0.00 H new ATOM 0 HB2 ALA A 35 43.855 -12.229 -24.025 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.557 -11.014 -24.071 1.00 0.00 H new ATOM 481 N LEU A 36 43.140 -8.252 -24.770 1.00 0.00 N ATOM 482 CA LEU A 36 42.585 -7.089 -25.503 1.00 0.00 C ATOM 483 C LEU A 36 43.712 -6.085 -25.765 1.00 0.00 C ATOM 484 O LEU A 36 43.563 -5.146 -26.520 1.00 0.00 O ATOM 485 CB LEU A 36 41.454 -6.466 -24.689 1.00 0.00 C ATOM 486 CG LEU A 36 41.990 -5.354 -23.811 1.00 0.00 C ATOM 487 CD1 LEU A 36 41.939 -4.042 -24.588 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.114 -5.258 -22.579 1.00 0.00 C ATOM 0 H LEU A 36 42.843 -8.341 -23.798 1.00 0.00 H new ATOM 0 HA LEU A 36 42.172 -7.401 -26.462 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.688 -6.073 -25.358 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.978 -7.228 -24.072 1.00 0.00 H new ATOM 0 HG LEU A 36 43.020 -5.556 -23.517 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.323 -3.235 -23.964 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.549 -4.128 -25.487 1.00 0.00 H new ATOM 0 HD13 LEU A 36 40.908 -3.825 -24.868 1.00 0.00 H new ATOM 0 HD21 LEU A 36 41.482 -4.462 -21.932 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.089 -5.038 -22.878 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.139 -6.205 -22.040 1.00 0.00 H new ATOM 500 N GLU A 37 44.844 -6.298 -25.154 1.00 0.00 N ATOM 501 CA GLU A 37 45.998 -5.399 -25.360 1.00 0.00 C ATOM 502 C GLU A 37 47.145 -6.215 -25.960 1.00 0.00 C ATOM 503 O GLU A 37 48.236 -5.723 -26.167 1.00 0.00 O ATOM 504 CB GLU A 37 46.432 -4.801 -24.021 1.00 0.00 C ATOM 505 CG GLU A 37 45.239 -4.106 -23.363 1.00 0.00 C ATOM 506 CD GLU A 37 45.740 -2.977 -22.462 1.00 0.00 C ATOM 507 OE1 GLU A 37 46.860 -2.536 -22.667 1.00 0.00 O ATOM 508 OE2 GLU A 37 44.998 -2.571 -21.584 1.00 0.00 O ATOM 0 H GLU A 37 45.014 -7.072 -24.511 1.00 0.00 H new ATOM 0 HA GLU A 37 45.725 -4.587 -26.034 1.00 0.00 H new ATOM 0 HB2 GLU A 37 46.816 -5.585 -23.368 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.243 -4.089 -24.174 1.00 0.00 H new ATOM 0 HG2 GLU A 37 44.571 -3.707 -24.126 1.00 0.00 H new ATOM 0 HG3 GLU A 37 44.663 -4.824 -22.779 1.00 0.00 H new ATOM 515 N GLN A 38 46.894 -7.467 -26.243 1.00 0.00 N ATOM 516 CA GLN A 38 47.929 -8.337 -26.828 1.00 0.00 C ATOM 517 C GLN A 38 47.948 -8.115 -28.336 1.00 0.00 C ATOM 518 O GLN A 38 48.975 -7.859 -28.932 1.00 0.00 O ATOM 519 CB GLN A 38 47.565 -9.793 -26.517 1.00 0.00 C ATOM 520 CG GLN A 38 48.219 -10.717 -27.540 1.00 0.00 C ATOM 521 CD GLN A 38 49.706 -10.379 -27.627 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.289 -9.808 -26.609 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.344 -10.636 -28.629 1.00 0.00 N flip ATOM 0 H GLN A 38 45.994 -7.922 -26.086 1.00 0.00 H new ATOM 0 HA GLN A 38 48.912 -8.110 -26.415 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.897 -10.054 -25.512 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.483 -9.920 -26.538 1.00 0.00 H new ATOM 0 HG2 GLN A 38 48.085 -11.759 -27.248 1.00 0.00 H new ATOM 0 HG3 GLN A 38 47.747 -10.596 -28.515 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.887 -11.082 -29.424 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.337 -10.405 -28.675 1.00 0.00 H new ATOM 532 N PHE A 39 46.804 -8.200 -28.949 1.00 0.00 N ATOM 533 CA PHE A 39 46.732 -7.982 -30.414 1.00 0.00 C ATOM 534 C PHE A 39 46.568 -6.494 -30.707 1.00 0.00 C ATOM 535 O PHE A 39 47.102 -5.978 -31.669 1.00 0.00 O ATOM 536 CB PHE A 39 45.570 -8.763 -31.028 1.00 0.00 C ATOM 537 CG PHE A 39 44.454 -8.974 -30.030 1.00 0.00 C ATOM 538 CD1 PHE A 39 43.717 -7.887 -29.539 1.00 0.00 C ATOM 539 CD2 PHE A 39 44.149 -10.274 -29.605 1.00 0.00 C ATOM 540 CE1 PHE A 39 42.680 -8.105 -28.625 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.110 -10.488 -28.693 1.00 0.00 C ATOM 542 CZ PHE A 39 42.375 -9.404 -28.203 1.00 0.00 C ATOM 0 H PHE A 39 45.915 -8.412 -28.497 1.00 0.00 H new ATOM 0 HA PHE A 39 47.659 -8.342 -30.860 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.187 -8.225 -31.895 1.00 0.00 H new ATOM 0 HB3 PHE A 39 45.928 -9.729 -31.385 1.00 0.00 H new ATOM 0 HD1 PHE A 39 43.949 -6.884 -29.865 1.00 0.00 H new ATOM 0 HD2 PHE A 39 44.717 -11.112 -29.982 1.00 0.00 H new ATOM 0 HE1 PHE A 39 42.113 -7.268 -28.244 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.875 -11.491 -28.367 1.00 0.00 H new ATOM 0 HZ PHE A 39 41.572 -9.569 -27.499 1.00 0.00 H new ATOM 552 N GLY A 40 45.851 -5.795 -29.882 1.00 0.00 N ATOM 553 CA GLY A 40 45.679 -4.331 -30.114 1.00 0.00 C ATOM 554 C GLY A 40 44.196 -3.969 -30.257 1.00 0.00 C ATOM 555 O GLY A 40 43.802 -3.303 -31.194 1.00 0.00 O ATOM 0 H GLY A 40 45.376 -6.166 -29.059 1.00 0.00 H new ATOM 0 HA2 GLY A 40 46.115 -3.774 -29.285 1.00 0.00 H new ATOM 0 HA3 GLY A 40 46.218 -4.036 -31.014 1.00 0.00 H new ATOM 559 N MET A 41 43.375 -4.374 -29.328 1.00 0.00 N ATOM 560 CA MET A 41 41.929 -4.019 -29.406 1.00 0.00 C ATOM 561 C MET A 41 41.597 -3.048 -28.264 1.00 0.00 C ATOM 562 O MET A 41 40.457 -2.718 -28.019 1.00 0.00 O ATOM 563 CB MET A 41 41.073 -5.294 -29.325 1.00 0.00 C ATOM 564 CG MET A 41 40.520 -5.512 -27.912 1.00 0.00 C ATOM 565 SD MET A 41 38.834 -4.856 -27.822 1.00 0.00 S ATOM 566 CE MET A 41 38.951 -4.093 -26.185 1.00 0.00 C ATOM 0 H MET A 41 43.642 -4.935 -28.519 1.00 0.00 H new ATOM 0 HA MET A 41 41.709 -3.532 -30.356 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.247 -5.224 -30.033 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.673 -6.155 -29.619 1.00 0.00 H new ATOM 0 HG2 MET A 41 40.523 -6.574 -27.668 1.00 0.00 H new ATOM 0 HG3 MET A 41 41.156 -5.015 -27.179 1.00 0.00 H new ATOM 0 HE1 MET A 41 38.146 -3.369 -26.063 1.00 0.00 H new ATOM 0 HE2 MET A 41 38.866 -4.863 -25.418 1.00 0.00 H new ATOM 0 HE3 MET A 41 39.912 -3.588 -26.087 1.00 0.00 H new ATOM 576 N TYR A 42 42.599 -2.591 -27.568 1.00 0.00 N ATOM 577 CA TYR A 42 42.380 -1.651 -26.433 1.00 0.00 C ATOM 578 C TYR A 42 41.910 -0.273 -26.940 1.00 0.00 C ATOM 579 O TYR A 42 41.877 0.686 -26.198 1.00 0.00 O ATOM 580 CB TYR A 42 43.711 -1.511 -25.687 1.00 0.00 C ATOM 581 CG TYR A 42 43.508 -0.803 -24.366 1.00 0.00 C ATOM 582 CD1 TYR A 42 43.571 0.594 -24.305 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.261 -1.543 -23.204 1.00 0.00 C ATOM 584 CE1 TYR A 42 43.385 1.252 -23.084 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.075 -0.885 -21.982 1.00 0.00 C ATOM 586 CZ TYR A 42 43.137 0.512 -21.922 1.00 0.00 C ATOM 587 OH TYR A 42 42.954 1.160 -20.718 1.00 0.00 O ATOM 0 H TYR A 42 43.575 -2.832 -27.740 1.00 0.00 H new ATOM 0 HA TYR A 42 41.603 -2.038 -25.773 1.00 0.00 H new ATOM 0 HB2 TYR A 42 44.143 -2.497 -25.515 1.00 0.00 H new ATOM 0 HB3 TYR A 42 44.421 -0.954 -26.299 1.00 0.00 H new ATOM 0 HD1 TYR A 42 43.763 1.165 -25.201 1.00 0.00 H new ATOM 0 HD2 TYR A 42 43.214 -2.621 -23.250 1.00 0.00 H new ATOM 0 HE1 TYR A 42 43.433 2.330 -23.038 1.00 0.00 H new ATOM 0 HE2 TYR A 42 42.884 -1.456 -21.085 1.00 0.00 H new ATOM 0 HH TYR A 42 42.007 1.389 -20.611 1.00 0.00 H new ATOM 597 N SER A 43 41.561 -0.155 -28.194 1.00 0.00 N ATOM 598 CA SER A 43 41.120 1.164 -28.722 1.00 0.00 C ATOM 599 C SER A 43 39.603 1.171 -28.925 1.00 0.00 C ATOM 600 O SER A 43 39.011 0.180 -29.317 1.00 0.00 O ATOM 601 CB SER A 43 41.806 1.416 -30.066 1.00 0.00 C ATOM 602 OG SER A 43 40.996 0.909 -31.115 1.00 0.00 O ATOM 0 H SER A 43 41.563 -0.916 -28.873 1.00 0.00 H new ATOM 0 HA SER A 43 41.388 1.944 -28.009 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.974 2.484 -30.206 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.784 0.935 -30.083 1.00 0.00 H new ATOM 0 HG SER A 43 41.435 1.072 -31.976 1.00 0.00 H new ATOM 608 N GLU A 44 38.971 2.285 -28.673 1.00 0.00 N ATOM 609 CA GLU A 44 37.502 2.371 -28.864 1.00 0.00 C ATOM 610 C GLU A 44 37.132 1.756 -30.210 1.00 0.00 C ATOM 611 O GLU A 44 36.356 0.839 -30.279 1.00 0.00 O ATOM 612 CB GLU A 44 37.066 3.838 -28.842 1.00 0.00 C ATOM 613 CG GLU A 44 37.687 4.538 -27.632 1.00 0.00 C ATOM 614 CD GLU A 44 36.718 5.595 -27.100 1.00 0.00 C ATOM 615 OE1 GLU A 44 35.523 5.403 -27.253 1.00 0.00 O ATOM 616 OE2 GLU A 44 37.186 6.577 -26.550 1.00 0.00 O ATOM 0 H GLU A 44 39.415 3.142 -28.341 1.00 0.00 H new ATOM 0 HA GLU A 44 37.000 1.831 -28.061 1.00 0.00 H new ATOM 0 HB2 GLU A 44 37.377 4.334 -29.761 1.00 0.00 H new ATOM 0 HB3 GLU A 44 35.979 3.904 -28.795 1.00 0.00 H new ATOM 0 HG2 GLU A 44 37.911 3.810 -26.853 1.00 0.00 H new ATOM 0 HG3 GLU A 44 38.631 5.004 -27.913 1.00 0.00 H new ATOM 623 N ASP A 45 37.672 2.264 -31.281 1.00 0.00 N ATOM 624 CA ASP A 45 37.329 1.711 -32.621 1.00 0.00 C ATOM 625 C ASP A 45 37.421 0.180 -32.619 1.00 0.00 C ATOM 626 O ASP A 45 36.636 -0.495 -33.253 1.00 0.00 O ATOM 627 CB ASP A 45 38.284 2.275 -33.660 1.00 0.00 C ATOM 628 CG ASP A 45 37.932 1.712 -35.038 1.00 0.00 C ATOM 629 OD1 ASP A 45 37.786 0.506 -35.143 1.00 0.00 O ATOM 630 OD2 ASP A 45 37.814 2.498 -35.965 1.00 0.00 O ATOM 0 H ASP A 45 38.336 3.038 -31.287 1.00 0.00 H new ATOM 0 HA ASP A 45 36.305 1.996 -32.863 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.222 3.363 -33.674 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.311 2.018 -33.402 1.00 0.00 H new ATOM 635 N ALA A 46 38.376 -0.376 -31.921 1.00 0.00 N ATOM 636 CA ALA A 46 38.516 -1.864 -31.891 1.00 0.00 C ATOM 637 C ALA A 46 37.257 -2.494 -31.303 1.00 0.00 C ATOM 638 O ALA A 46 36.480 -3.130 -31.989 1.00 0.00 O ATOM 639 CB ALA A 46 39.718 -2.242 -31.025 1.00 0.00 C ATOM 0 H ALA A 46 39.066 0.135 -31.370 1.00 0.00 H new ATOM 0 HA ALA A 46 38.661 -2.230 -32.908 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.823 -3.327 -31.001 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.622 -1.799 -31.444 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.568 -1.870 -30.012 1.00 0.00 H new ATOM 645 N ILE A 47 37.056 -2.318 -30.036 1.00 0.00 N ATOM 646 CA ILE A 47 35.857 -2.893 -29.368 1.00 0.00 C ATOM 647 C ILE A 47 34.595 -2.223 -29.901 1.00 0.00 C ATOM 648 O ILE A 47 33.487 -2.644 -29.641 1.00 0.00 O ATOM 649 CB ILE A 47 35.998 -2.623 -27.886 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.847 -3.233 -27.105 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.993 -1.125 -27.630 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.130 -3.015 -25.620 1.00 0.00 C ATOM 0 H ILE A 47 37.678 -1.793 -29.421 1.00 0.00 H new ATOM 0 HA ILE A 47 35.781 -3.963 -29.561 1.00 0.00 H new ATOM 0 HB ILE A 47 36.937 -3.069 -27.560 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.903 -2.767 -27.387 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.756 -4.297 -27.325 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.095 -0.938 -26.561 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.826 -0.663 -28.160 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.055 -0.698 -27.985 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.320 -3.442 -25.029 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.069 -3.500 -25.354 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.203 -1.947 -25.417 1.00 0.00 H new ATOM 664 N ILE A 48 34.761 -1.188 -30.652 1.00 0.00 N ATOM 665 CA ILE A 48 33.591 -0.478 -31.220 1.00 0.00 C ATOM 666 C ILE A 48 33.227 -1.149 -32.546 1.00 0.00 C ATOM 667 O ILE A 48 32.094 -1.116 -32.980 1.00 0.00 O ATOM 668 CB ILE A 48 33.963 1.000 -31.423 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.904 1.724 -30.076 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.989 1.682 -32.377 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.319 3.185 -30.260 1.00 0.00 C ATOM 0 H ILE A 48 35.668 -0.794 -30.903 1.00 0.00 H new ATOM 0 HA ILE A 48 32.730 -0.525 -30.553 1.00 0.00 H new ATOM 0 HB ILE A 48 34.967 1.045 -31.845 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.895 1.671 -29.667 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.564 1.235 -29.360 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.275 2.726 -32.503 1.00 0.00 H new ATOM 0 HG22 ILE A 48 33.015 1.179 -33.344 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.981 1.629 -31.967 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.276 3.699 -29.300 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.336 3.228 -30.650 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.641 3.670 -30.962 1.00 0.00 H new ATOM 683 N TYR A 49 34.183 -1.778 -33.181 1.00 0.00 N ATOM 684 CA TYR A 49 33.900 -2.469 -34.469 1.00 0.00 C ATOM 685 C TYR A 49 33.453 -3.908 -34.195 1.00 0.00 C ATOM 686 O TYR A 49 32.784 -4.516 -35.004 1.00 0.00 O ATOM 687 CB TYR A 49 35.155 -2.485 -35.348 1.00 0.00 C ATOM 688 CG TYR A 49 34.964 -3.509 -36.440 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.973 -3.317 -37.405 1.00 0.00 C ATOM 690 CD2 TYR A 49 35.757 -4.662 -36.466 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.772 -4.277 -38.401 1.00 0.00 C ATOM 692 CE2 TYR A 49 35.559 -5.622 -37.465 1.00 0.00 C ATOM 693 CZ TYR A 49 34.564 -5.429 -38.433 1.00 0.00 C ATOM 694 OH TYR A 49 34.365 -6.376 -39.417 1.00 0.00 O ATOM 0 H TYR A 49 35.149 -1.841 -32.860 1.00 0.00 H new ATOM 0 HA TYR A 49 33.107 -1.932 -34.989 1.00 0.00 H new ATOM 0 HB2 TYR A 49 35.327 -1.499 -35.780 1.00 0.00 H new ATOM 0 HB3 TYR A 49 36.033 -2.729 -34.750 1.00 0.00 H new ATOM 0 HD1 TYR A 49 33.362 -2.427 -37.382 1.00 0.00 H new ATOM 0 HD2 TYR A 49 36.520 -4.811 -35.717 1.00 0.00 H new ATOM 0 HE1 TYR A 49 33.005 -4.129 -39.146 1.00 0.00 H new ATOM 0 HE2 TYR A 49 36.172 -6.511 -37.490 1.00 0.00 H new ATOM 0 HH TYR A 49 35.134 -6.983 -39.447 1.00 0.00 H new ATOM 704 N GLN A 50 33.804 -4.470 -33.073 1.00 0.00 N ATOM 705 CA GLN A 50 33.350 -5.863 -32.807 1.00 0.00 C ATOM 706 C GLN A 50 32.053 -5.799 -31.996 1.00 0.00 C ATOM 707 O GLN A 50 31.222 -6.679 -32.065 1.00 0.00 O ATOM 708 CB GLN A 50 34.419 -6.677 -32.067 1.00 0.00 C ATOM 709 CG GLN A 50 34.883 -5.956 -30.809 1.00 0.00 C ATOM 710 CD GLN A 50 34.032 -6.379 -29.628 1.00 0.00 C ATOM 711 OE1 GLN A 50 33.731 -7.533 -29.475 1.00 0.00 O ATOM 712 NE2 GLN A 50 33.635 -5.482 -28.777 1.00 0.00 N ATOM 0 H GLN A 50 34.372 -4.038 -32.344 1.00 0.00 H new ATOM 0 HA GLN A 50 33.174 -6.371 -33.755 1.00 0.00 H new ATOM 0 HB2 GLN A 50 34.017 -7.655 -31.802 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.270 -6.850 -32.726 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.931 -6.185 -30.614 1.00 0.00 H new ATOM 0 HG3 GLN A 50 34.813 -4.878 -30.951 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.892 -4.504 -28.910 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.066 -5.756 -27.976 1.00 0.00 H new ATOM 721 N VAL A 51 31.863 -4.739 -31.253 1.00 0.00 N ATOM 722 CA VAL A 51 30.609 -4.585 -30.454 1.00 0.00 C ATOM 723 C VAL A 51 29.462 -4.216 -31.394 1.00 0.00 C ATOM 724 O VAL A 51 28.385 -4.776 -31.343 1.00 0.00 O ATOM 725 CB VAL A 51 30.787 -3.440 -29.446 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.428 -2.842 -29.056 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.460 -3.974 -28.181 1.00 0.00 C ATOM 0 H VAL A 51 32.526 -3.969 -31.165 1.00 0.00 H new ATOM 0 HA VAL A 51 30.393 -5.518 -29.933 1.00 0.00 H new ATOM 0 HB VAL A 51 31.401 -2.669 -29.911 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.578 -2.033 -28.341 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.933 -2.453 -29.946 1.00 0.00 H new ATOM 0 HG13 VAL A 51 28.807 -3.615 -28.604 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.586 -3.162 -27.465 1.00 0.00 H new ATOM 0 HG22 VAL A 51 30.839 -4.753 -27.739 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.435 -4.389 -28.435 1.00 0.00 H new ATOM 737 N GLN A 52 29.687 -3.235 -32.220 1.00 0.00 N ATOM 738 CA GLN A 52 28.622 -2.763 -33.138 1.00 0.00 C ATOM 739 C GLN A 52 28.241 -3.832 -34.145 1.00 0.00 C ATOM 740 O GLN A 52 27.255 -3.696 -34.843 1.00 0.00 O ATOM 741 CB GLN A 52 29.127 -1.561 -33.900 1.00 0.00 C ATOM 742 CG GLN A 52 28.273 -0.338 -33.559 1.00 0.00 C ATOM 743 CD GLN A 52 29.103 0.935 -33.722 1.00 0.00 C ATOM 744 OE1 GLN A 52 30.231 1.050 -33.079 1.00 0.00 O flip ATOM 745 NE2 GLN A 52 28.721 1.837 -34.443 1.00 0.00 N flip ATOM 0 H GLN A 52 30.573 -2.736 -32.297 1.00 0.00 H new ATOM 0 HA GLN A 52 27.747 -2.515 -32.538 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.170 -1.370 -33.647 1.00 0.00 H new ATOM 0 HB3 GLN A 52 29.089 -1.756 -34.972 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.400 -0.300 -34.210 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.904 -0.414 -32.536 1.00 0.00 H new ATOM 0 HE21 GLN A 52 27.839 1.748 -34.947 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.283 2.682 -34.544 1.00 0.00 H new ATOM 754 N HIS A 53 28.997 -4.879 -34.274 1.00 0.00 N ATOM 755 CA HIS A 53 28.619 -5.883 -35.289 1.00 0.00 C ATOM 756 C HIS A 53 29.020 -7.256 -34.815 1.00 0.00 C ATOM 757 O HIS A 53 29.059 -8.199 -35.580 1.00 0.00 O ATOM 758 CB HIS A 53 29.358 -5.614 -36.573 1.00 0.00 C ATOM 759 CG HIS A 53 29.778 -4.167 -36.665 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.531 -3.373 -35.831 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 29.432 -3.362 -37.739 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.651 -2.101 -36.377 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.971 -2.147 -37.524 1.00 0.00 N flip ATOM 0 H HIS A 53 29.839 -5.079 -33.735 1.00 0.00 H new ATOM 0 HA HIS A 53 27.542 -5.827 -35.448 1.00 0.00 H new ATOM 0 HB2 HIS A 53 30.237 -6.256 -36.631 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.722 -5.866 -37.422 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.939 -3.673 -34.946 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.839 -3.656 -38.592 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.181 -1.256 -35.962 1.00 0.00 H new ATOM 771 N GLY A 54 29.353 -7.386 -33.576 1.00 0.00 N ATOM 772 CA GLY A 54 29.782 -8.700 -33.112 1.00 0.00 C ATOM 773 C GLY A 54 31.143 -8.953 -33.718 1.00 0.00 C ATOM 774 O GLY A 54 31.988 -8.082 -33.767 1.00 0.00 O ATOM 0 H GLY A 54 29.345 -6.644 -32.876 1.00 0.00 H new ATOM 0 HA2 GLY A 54 29.832 -8.728 -32.024 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.073 -9.469 -33.419 1.00 0.00 H new ATOM 778 N LYS A 55 31.316 -10.130 -34.199 1.00 0.00 N ATOM 779 CA LYS A 55 32.592 -10.541 -34.864 1.00 0.00 C ATOM 780 C LYS A 55 32.808 -12.034 -34.655 1.00 0.00 C ATOM 781 O LYS A 55 32.527 -12.570 -33.604 1.00 0.00 O ATOM 782 CB LYS A 55 33.784 -9.773 -34.290 1.00 0.00 C ATOM 783 CG LYS A 55 34.276 -8.700 -35.286 1.00 0.00 C ATOM 784 CD LYS A 55 33.132 -8.164 -36.166 1.00 0.00 C ATOM 785 CE LYS A 55 33.285 -8.709 -37.588 1.00 0.00 C ATOM 786 NZ LYS A 55 32.032 -9.410 -37.988 1.00 0.00 N ATOM 0 H LYS A 55 30.608 -10.864 -34.165 1.00 0.00 H new ATOM 0 HA LYS A 55 32.516 -10.315 -35.928 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.499 -9.300 -33.350 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.595 -10.466 -34.065 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.728 -7.875 -34.736 1.00 0.00 H new ATOM 0 HG3 LYS A 55 35.054 -9.124 -35.921 1.00 0.00 H new ATOM 0 HD2 LYS A 55 32.169 -8.463 -35.752 1.00 0.00 H new ATOM 0 HD3 LYS A 55 33.149 -7.074 -36.179 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.496 -7.894 -38.281 1.00 0.00 H new ATOM 0 HE3 LYS A 55 34.130 -9.396 -37.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 32.175 -10.438 -37.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 31.259 -9.129 -37.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 31.787 -9.152 -38.965 1.00 0.00 H new ATOM 800 N ASN A 56 33.298 -12.709 -35.658 1.00 0.00 N ATOM 801 CA ASN A 56 33.524 -14.172 -35.533 1.00 0.00 C ATOM 802 C ASN A 56 32.246 -14.826 -34.999 1.00 0.00 C ATOM 803 O ASN A 56 31.369 -15.208 -35.749 1.00 0.00 O ATOM 804 CB ASN A 56 34.679 -14.436 -34.563 1.00 0.00 C ATOM 805 CG ASN A 56 35.996 -13.993 -35.205 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.903 -14.785 -35.369 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.140 -12.751 -35.575 1.00 0.00 N ATOM 0 H ASN A 56 33.552 -12.307 -36.560 1.00 0.00 H new ATOM 0 HA ASN A 56 33.776 -14.590 -36.508 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.516 -13.895 -33.631 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.723 -15.496 -34.313 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.014 -12.444 -36.002 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.379 -12.086 -35.437 1.00 0.00 H new ATOM 814 N ALA A 57 32.129 -14.933 -33.705 1.00 0.00 N ATOM 815 CA ALA A 57 30.909 -15.533 -33.101 1.00 0.00 C ATOM 816 C ALA A 57 30.392 -14.576 -32.026 1.00 0.00 C ATOM 817 O ALA A 57 30.138 -14.962 -30.903 1.00 0.00 O ATOM 818 CB ALA A 57 31.263 -16.878 -32.465 1.00 0.00 C ATOM 0 H ALA A 57 32.834 -14.627 -33.034 1.00 0.00 H new ATOM 0 HA ALA A 57 30.146 -15.693 -33.863 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.369 -17.318 -32.022 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.658 -17.549 -33.228 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.015 -16.728 -31.690 1.00 0.00 H new ATOM 824 N MET A 58 30.261 -13.319 -32.361 1.00 0.00 N ATOM 825 CA MET A 58 29.794 -12.322 -31.358 1.00 0.00 C ATOM 826 C MET A 58 28.565 -11.569 -31.897 1.00 0.00 C ATOM 827 O MET A 58 28.435 -11.368 -33.087 1.00 0.00 O ATOM 828 CB MET A 58 30.947 -11.362 -31.078 1.00 0.00 C ATOM 829 CG MET A 58 30.464 -10.151 -30.287 1.00 0.00 C ATOM 830 SD MET A 58 31.666 -8.823 -30.466 1.00 0.00 S ATOM 831 CE MET A 58 31.016 -7.749 -29.163 1.00 0.00 C ATOM 0 H MET A 58 30.458 -12.941 -33.288 1.00 0.00 H new ATOM 0 HA MET A 58 29.496 -12.816 -30.433 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.728 -11.878 -30.520 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.390 -11.034 -32.019 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.488 -9.828 -30.650 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.343 -10.411 -29.235 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.311 -6.718 -29.360 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.928 -7.817 -29.144 1.00 0.00 H new ATOM 0 HE3 MET A 58 31.416 -8.063 -28.199 1.00 0.00 H new ATOM 841 N PRO A 59 27.680 -11.217 -30.992 1.00 0.00 N ATOM 842 CA PRO A 59 26.411 -10.522 -31.319 1.00 0.00 C ATOM 843 C PRO A 59 26.543 -8.998 -31.532 1.00 0.00 C ATOM 844 O PRO A 59 26.689 -8.244 -30.592 1.00 0.00 O ATOM 845 CB PRO A 59 25.554 -10.784 -30.077 1.00 0.00 C ATOM 846 CG PRO A 59 26.521 -11.094 -28.920 1.00 0.00 C ATOM 847 CD PRO A 59 27.852 -11.506 -29.551 1.00 0.00 C ATOM 0 HA PRO A 59 26.008 -10.889 -32.263 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.939 -9.915 -29.843 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.875 -11.620 -30.246 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.651 -10.221 -28.281 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.128 -11.893 -28.292 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.684 -10.942 -29.129 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.063 -12.561 -29.380 1.00 0.00 H new ATOM 855 N ALA A 60 26.432 -8.539 -32.762 1.00 0.00 N ATOM 856 CA ALA A 60 26.481 -7.077 -33.038 1.00 0.00 C ATOM 857 C ALA A 60 25.701 -6.290 -31.983 1.00 0.00 C ATOM 858 O ALA A 60 24.944 -6.834 -31.203 1.00 0.00 O ATOM 859 CB ALA A 60 25.832 -6.825 -34.399 1.00 0.00 C ATOM 0 H ALA A 60 26.309 -9.126 -33.587 1.00 0.00 H new ATOM 0 HA ALA A 60 27.521 -6.751 -33.022 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.857 -5.758 -34.622 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.378 -7.370 -35.169 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.797 -7.167 -34.378 1.00 0.00 H new ATOM 865 N PHE A 61 25.882 -4.999 -31.979 1.00 0.00 N ATOM 866 CA PHE A 61 25.176 -4.126 -31.022 1.00 0.00 C ATOM 867 C PHE A 61 24.972 -2.751 -31.664 1.00 0.00 C ATOM 868 O PHE A 61 24.653 -1.785 -30.999 1.00 0.00 O ATOM 869 CB PHE A 61 26.018 -3.980 -29.759 1.00 0.00 C ATOM 870 CG PHE A 61 25.919 -5.247 -28.951 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.769 -5.510 -28.201 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.981 -6.158 -28.951 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.681 -6.687 -27.449 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.895 -7.332 -28.200 1.00 0.00 C ATOM 875 CZ PHE A 61 25.746 -7.597 -27.448 1.00 0.00 C ATOM 0 H PHE A 61 26.507 -4.508 -32.618 1.00 0.00 H new ATOM 0 HA PHE A 61 24.210 -4.559 -30.764 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.057 -3.781 -30.021 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.670 -3.131 -29.171 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.950 -4.806 -28.202 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.868 -5.953 -29.532 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.793 -6.893 -26.870 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.715 -8.035 -28.200 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.680 -8.504 -26.866 1.00 0.00 H new ATOM 885 N ALA A 62 25.157 -2.655 -32.956 1.00 0.00 N ATOM 886 CA ALA A 62 24.981 -1.350 -33.643 1.00 0.00 C ATOM 887 C ALA A 62 23.675 -0.715 -33.182 1.00 0.00 C ATOM 888 O ALA A 62 23.532 0.492 -33.155 1.00 0.00 O ATOM 889 CB ALA A 62 24.939 -1.569 -35.158 1.00 0.00 C ATOM 0 H ALA A 62 25.423 -3.430 -33.563 1.00 0.00 H new ATOM 0 HA ALA A 62 25.815 -0.692 -33.399 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.810 -0.611 -35.661 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.872 -2.028 -35.485 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.105 -2.225 -35.408 1.00 0.00 H new ATOM 895 N GLY A 63 22.721 -1.519 -32.808 1.00 0.00 N ATOM 896 CA GLY A 63 21.428 -0.963 -32.338 1.00 0.00 C ATOM 897 C GLY A 63 20.727 -2.007 -31.486 1.00 0.00 C ATOM 898 O GLY A 63 19.518 -2.118 -31.472 1.00 0.00 O ATOM 0 H GLY A 63 22.783 -2.537 -32.808 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.596 -0.055 -31.760 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.804 -0.689 -33.188 1.00 0.00 H new ATOM 902 N ARG A 64 21.493 -2.756 -30.759 1.00 0.00 N ATOM 903 CA ARG A 64 20.917 -3.785 -29.873 1.00 0.00 C ATOM 904 C ARG A 64 20.951 -3.180 -28.485 1.00 0.00 C ATOM 905 O ARG A 64 19.998 -3.221 -27.733 1.00 0.00 O ATOM 906 CB ARG A 64 21.784 -5.038 -29.948 1.00 0.00 C ATOM 907 CG ARG A 64 21.164 -6.158 -29.119 1.00 0.00 C ATOM 908 CD ARG A 64 22.154 -7.320 -29.058 1.00 0.00 C ATOM 909 NE ARG A 64 21.549 -8.527 -29.687 1.00 0.00 N ATOM 910 CZ ARG A 64 20.808 -9.330 -28.974 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.225 -9.746 -27.811 1.00 0.00 N ATOM 912 NH2 ARG A 64 19.647 -9.718 -29.427 1.00 0.00 N ATOM 0 H ARG A 64 22.511 -2.696 -30.742 1.00 0.00 H new ATOM 0 HA ARG A 64 19.902 -4.070 -30.149 1.00 0.00 H new ATOM 0 HB2 ARG A 64 21.886 -5.357 -30.985 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.787 -4.818 -29.582 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.934 -5.803 -28.114 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.224 -6.484 -29.565 1.00 0.00 H new ATOM 0 HD2 ARG A 64 23.076 -7.052 -29.574 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.418 -7.532 -28.022 1.00 0.00 H new ATOM 0 HE ARG A 64 21.714 -8.726 -30.674 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.132 -9.444 -27.457 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.644 -10.374 -27.255 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.320 -9.393 -30.337 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.066 -10.346 -28.871 1.00 0.00 H new ATOM 926 N LEU A 65 22.052 -2.550 -28.182 1.00 0.00 N ATOM 927 CA LEU A 65 22.184 -1.848 -26.884 1.00 0.00 C ATOM 928 C LEU A 65 21.408 -0.543 -26.995 1.00 0.00 C ATOM 929 O LEU A 65 20.372 -0.476 -27.628 1.00 0.00 O ATOM 930 CB LEU A 65 23.662 -1.557 -26.609 1.00 0.00 C ATOM 931 CG LEU A 65 24.462 -2.852 -26.720 1.00 0.00 C ATOM 932 CD1 LEU A 65 25.873 -2.630 -26.176 1.00 0.00 C ATOM 933 CD2 LEU A 65 23.772 -3.953 -25.913 1.00 0.00 C ATOM 0 H LEU A 65 22.871 -2.494 -28.787 1.00 0.00 H new ATOM 0 HA LEU A 65 21.795 -2.457 -26.068 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.038 -0.822 -27.321 1.00 0.00 H new ATOM 0 HB3 LEU A 65 23.781 -1.127 -25.614 1.00 0.00 H new ATOM 0 HG LEU A 65 24.519 -3.152 -27.766 1.00 0.00 H new ATOM 0 HD11 LEU A 65 26.443 -3.555 -26.256 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.367 -1.848 -26.753 1.00 0.00 H new ATOM 0 HD13 LEU A 65 25.816 -2.328 -25.130 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.345 -4.877 -25.994 1.00 0.00 H new ATOM 0 HD22 LEU A 65 23.712 -3.654 -24.867 1.00 0.00 H new ATOM 0 HD23 LEU A 65 22.767 -4.114 -26.303 1.00 0.00 H new ATOM 945 N THR A 66 21.895 0.490 -26.399 1.00 0.00 N ATOM 946 CA THR A 66 21.184 1.799 -26.483 1.00 0.00 C ATOM 947 C THR A 66 21.835 2.658 -27.573 1.00 0.00 C ATOM 948 O THR A 66 21.201 3.062 -28.525 1.00 0.00 O ATOM 949 CB THR A 66 21.258 2.525 -25.125 1.00 0.00 C ATOM 950 OG1 THR A 66 20.315 1.947 -24.233 1.00 0.00 O ATOM 951 CG2 THR A 66 20.933 4.008 -25.314 1.00 0.00 C ATOM 0 H THR A 66 22.756 0.496 -25.853 1.00 0.00 H new ATOM 0 HA THR A 66 20.137 1.629 -26.732 1.00 0.00 H new ATOM 0 HB THR A 66 22.263 2.425 -24.715 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.360 2.405 -23.368 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.986 4.518 -24.352 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.652 4.453 -26.001 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.928 4.111 -25.724 1.00 0.00 H new ATOM 959 N ASP A 67 23.099 2.935 -27.418 1.00 0.00 N ATOM 960 CA ASP A 67 23.850 3.771 -28.399 1.00 0.00 C ATOM 961 C ASP A 67 24.989 4.425 -27.630 1.00 0.00 C ATOM 962 O ASP A 67 26.155 4.261 -27.938 1.00 0.00 O ATOM 963 CB ASP A 67 22.942 4.853 -28.991 1.00 0.00 C ATOM 964 CG ASP A 67 22.528 4.453 -30.409 1.00 0.00 C ATOM 965 OD1 ASP A 67 23.405 4.334 -31.247 1.00 0.00 O ATOM 966 OD2 ASP A 67 21.342 4.275 -30.631 1.00 0.00 O ATOM 0 H ASP A 67 23.659 2.608 -26.631 1.00 0.00 H new ATOM 0 HA ASP A 67 24.219 3.160 -29.223 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.059 4.983 -28.366 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.463 5.810 -29.009 1.00 0.00 H new ATOM 971 N GLU A 68 24.641 5.120 -26.580 1.00 0.00 N ATOM 972 CA GLU A 68 25.665 5.761 -25.712 1.00 0.00 C ATOM 973 C GLU A 68 26.442 4.666 -24.973 1.00 0.00 C ATOM 974 O GLU A 68 27.360 4.936 -24.230 1.00 0.00 O ATOM 975 CB GLU A 68 24.953 6.649 -24.695 1.00 0.00 C ATOM 976 CG GLU A 68 25.920 7.036 -23.573 1.00 0.00 C ATOM 977 CD GLU A 68 25.523 8.404 -23.014 1.00 0.00 C ATOM 978 OE1 GLU A 68 24.717 9.068 -23.643 1.00 0.00 O ATOM 979 OE2 GLU A 68 26.032 8.764 -21.965 1.00 0.00 O ATOM 0 H GLU A 68 23.676 5.271 -26.285 1.00 0.00 H new ATOM 0 HA GLU A 68 26.352 6.359 -26.311 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.573 7.546 -25.185 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.093 6.124 -24.280 1.00 0.00 H new ATOM 0 HG2 GLU A 68 25.897 6.286 -22.782 1.00 0.00 H new ATOM 0 HG3 GLU A 68 26.941 7.068 -23.952 1.00 0.00 H new ATOM 986 N GLN A 69 26.076 3.431 -25.192 1.00 0.00 N ATOM 987 CA GLN A 69 26.766 2.290 -24.545 1.00 0.00 C ATOM 988 C GLN A 69 27.566 1.587 -25.621 1.00 0.00 C ATOM 989 O GLN A 69 28.648 1.107 -25.392 1.00 0.00 O ATOM 990 CB GLN A 69 25.771 1.328 -23.912 1.00 0.00 C ATOM 991 CG GLN A 69 24.354 1.912 -23.949 1.00 0.00 C ATOM 992 CD GLN A 69 24.305 3.266 -23.229 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.309 3.959 -23.298 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.332 3.683 -22.537 1.00 0.00 N ATOM 0 H GLN A 69 25.308 3.165 -25.808 1.00 0.00 H new ATOM 0 HA GLN A 69 27.413 2.648 -23.744 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.791 0.376 -24.442 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.059 1.125 -22.881 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.032 2.033 -24.983 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.657 1.219 -23.478 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.172 3.108 -22.474 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.294 4.584 -22.060 1.00 0.00 H new ATOM 1003 N ILE A 70 27.099 1.604 -26.836 1.00 0.00 N ATOM 1004 CA ILE A 70 27.939 1.018 -27.902 1.00 0.00 C ATOM 1005 C ILE A 70 29.253 1.800 -27.835 1.00 0.00 C ATOM 1006 O ILE A 70 30.293 1.370 -28.292 1.00 0.00 O ATOM 1007 CB ILE A 70 27.277 1.218 -29.268 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.909 0.531 -29.283 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.160 0.607 -30.356 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.046 -0.889 -28.735 1.00 0.00 C ATOM 0 H ILE A 70 26.200 1.987 -27.128 1.00 0.00 H new ATOM 0 HA ILE A 70 28.086 -0.054 -27.771 1.00 0.00 H new ATOM 0 HB ILE A 70 27.150 2.285 -29.454 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.199 1.098 -28.681 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.515 0.504 -30.299 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.689 0.749 -31.329 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.135 1.095 -30.350 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.286 -0.459 -30.166 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.072 -1.379 -28.745 1.00 0.00 H new ATOM 0 HD12 ILE A 70 26.742 -1.453 -29.356 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.421 -0.850 -27.712 1.00 0.00 H new ATOM 1022 N GLN A 71 29.174 2.965 -27.231 1.00 0.00 N ATOM 1023 CA GLN A 71 30.328 3.853 -27.055 1.00 0.00 C ATOM 1024 C GLN A 71 30.878 3.679 -25.643 1.00 0.00 C ATOM 1025 O GLN A 71 31.934 3.130 -25.425 1.00 0.00 O ATOM 1026 CB GLN A 71 29.796 5.269 -27.190 1.00 0.00 C ATOM 1027 CG GLN A 71 29.858 5.706 -28.656 1.00 0.00 C ATOM 1028 CD GLN A 71 29.163 4.660 -29.531 1.00 0.00 C ATOM 1029 OE1 GLN A 71 29.789 3.731 -30.000 1.00 0.00 O ATOM 1030 NE2 GLN A 71 27.886 4.773 -29.771 1.00 0.00 N ATOM 0 H GLN A 71 28.307 3.336 -26.842 1.00 0.00 H new ATOM 0 HA GLN A 71 31.113 3.638 -27.780 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.769 5.318 -26.829 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.383 5.949 -26.573 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.376 6.676 -28.778 1.00 0.00 H new ATOM 0 HG3 GLN A 71 30.896 5.825 -28.968 1.00 0.00 H new ATOM 0 HE21 GLN A 71 27.360 5.553 -29.377 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.413 4.081 -30.353 1.00 0.00 H new ATOM 1039 N ASP A 72 30.138 4.158 -24.691 1.00 0.00 N ATOM 1040 CA ASP A 72 30.526 4.053 -23.274 1.00 0.00 C ATOM 1041 C ASP A 72 31.003 2.636 -22.990 1.00 0.00 C ATOM 1042 O ASP A 72 32.038 2.435 -22.411 1.00 0.00 O ATOM 1043 CB ASP A 72 29.284 4.348 -22.442 1.00 0.00 C ATOM 1044 CG ASP A 72 29.023 5.853 -22.441 1.00 0.00 C ATOM 1045 OD1 ASP A 72 29.874 6.583 -22.920 1.00 0.00 O ATOM 1046 OD2 ASP A 72 27.976 6.252 -21.956 1.00 0.00 O ATOM 0 H ASP A 72 29.250 4.634 -24.848 1.00 0.00 H new ATOM 0 HA ASP A 72 31.328 4.751 -23.034 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.424 3.818 -22.851 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.422 3.991 -21.422 1.00 0.00 H new ATOM 1051 N VAL A 73 30.230 1.664 -23.387 1.00 0.00 N ATOM 1052 CA VAL A 73 30.590 0.235 -23.156 1.00 0.00 C ATOM 1053 C VAL A 73 31.919 -0.097 -23.863 1.00 0.00 C ATOM 1054 O VAL A 73 32.699 -0.905 -23.401 1.00 0.00 O ATOM 1055 CB VAL A 73 29.463 -0.661 -23.697 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.764 -1.132 -25.129 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.335 -1.879 -22.801 1.00 0.00 C ATOM 0 H VAL A 73 29.344 1.803 -23.873 1.00 0.00 H new ATOM 0 HA VAL A 73 30.714 0.058 -22.088 1.00 0.00 H new ATOM 0 HB VAL A 73 28.538 -0.084 -23.709 1.00 0.00 H new ATOM 0 HG11 VAL A 73 28.949 -1.763 -25.483 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.863 -0.266 -25.784 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.694 -1.701 -25.137 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.539 -2.523 -23.174 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.276 -2.430 -22.799 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.099 -1.561 -21.786 1.00 0.00 H new ATOM 1067 N ALA A 74 32.192 0.511 -24.976 1.00 0.00 N ATOM 1068 CA ALA A 74 33.483 0.216 -25.653 1.00 0.00 C ATOM 1069 C ALA A 74 34.584 0.818 -24.787 1.00 0.00 C ATOM 1070 O ALA A 74 35.375 0.122 -24.174 1.00 0.00 O ATOM 1071 CB ALA A 74 33.507 0.848 -27.044 1.00 0.00 C ATOM 0 H ALA A 74 31.590 1.189 -25.443 1.00 0.00 H new ATOM 0 HA ALA A 74 33.622 -0.858 -25.773 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.457 0.625 -27.529 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.691 0.443 -27.642 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.390 1.928 -26.955 1.00 0.00 H new ATOM 1077 N ALA A 75 34.595 2.114 -24.684 1.00 0.00 N ATOM 1078 CA ALA A 75 35.584 2.785 -23.809 1.00 0.00 C ATOM 1079 C ALA A 75 35.461 2.166 -22.414 1.00 0.00 C ATOM 1080 O ALA A 75 36.367 2.213 -21.605 1.00 0.00 O ATOM 1081 CB ALA A 75 35.231 4.274 -23.734 1.00 0.00 C ATOM 0 H ALA A 75 33.955 2.740 -25.173 1.00 0.00 H new ATOM 0 HA ALA A 75 36.598 2.666 -24.192 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.949 4.786 -23.093 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.264 4.707 -24.734 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.229 4.390 -23.321 1.00 0.00 H new ATOM 1087 N TYR A 76 34.325 1.579 -22.149 1.00 0.00 N ATOM 1088 CA TYR A 76 34.064 0.942 -20.830 1.00 0.00 C ATOM 1089 C TYR A 76 35.020 -0.218 -20.627 1.00 0.00 C ATOM 1090 O TYR A 76 35.604 -0.370 -19.578 1.00 0.00 O ATOM 1091 CB TYR A 76 32.623 0.426 -20.816 1.00 0.00 C ATOM 1092 CG TYR A 76 32.388 -0.442 -19.621 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.087 0.133 -18.417 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.469 -1.813 -19.734 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.861 -0.650 -17.302 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.239 -2.621 -18.613 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.933 -2.033 -17.392 1.00 0.00 C ATOM 1098 OH TYR A 76 31.707 -2.816 -16.277 1.00 0.00 O ATOM 0 H TYR A 76 33.550 1.514 -22.809 1.00 0.00 H new ATOM 0 HA TYR A 76 34.210 1.667 -20.030 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.930 1.267 -20.804 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.424 -0.138 -21.727 1.00 0.00 H new ATOM 0 HD1 TYR A 76 32.026 1.208 -18.338 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.709 -2.264 -20.685 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.627 -0.184 -16.356 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.299 -3.696 -18.698 1.00 0.00 H new ATOM 0 HH TYR A 76 32.536 -3.274 -16.025 1.00 0.00 H new ATOM 1108 N VAL A 77 35.196 -1.035 -21.623 1.00 0.00 N ATOM 1109 CA VAL A 77 36.136 -2.167 -21.467 1.00 0.00 C ATOM 1110 C VAL A 77 37.546 -1.595 -21.387 1.00 0.00 C ATOM 1111 O VAL A 77 38.441 -2.184 -20.813 1.00 0.00 O ATOM 1112 CB VAL A 77 36.016 -3.112 -22.666 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.132 -4.160 -22.625 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.661 -3.820 -22.623 1.00 0.00 C ATOM 0 H VAL A 77 34.733 -0.967 -22.529 1.00 0.00 H new ATOM 0 HA VAL A 77 35.907 -2.733 -20.564 1.00 0.00 H new ATOM 0 HB VAL A 77 36.102 -2.531 -23.584 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.037 -4.827 -23.482 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.101 -3.661 -22.659 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.054 -4.739 -21.705 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.575 -4.493 -23.476 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.579 -4.393 -21.699 1.00 0.00 H new ATOM 0 HG23 VAL A 77 33.862 -3.080 -22.663 1.00 0.00 H new ATOM 1124 N LEU A 78 37.747 -0.432 -21.948 1.00 0.00 N ATOM 1125 CA LEU A 78 39.097 0.187 -21.891 1.00 0.00 C ATOM 1126 C LEU A 78 39.262 0.903 -20.547 1.00 0.00 C ATOM 1127 O LEU A 78 40.333 1.357 -20.198 1.00 0.00 O ATOM 1128 CB LEU A 78 39.253 1.199 -23.036 1.00 0.00 C ATOM 1129 CG LEU A 78 38.450 0.746 -24.267 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.998 1.448 -25.512 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.569 -0.770 -24.452 1.00 0.00 C ATOM 0 H LEU A 78 37.037 0.111 -22.440 1.00 0.00 H new ATOM 0 HA LEU A 78 39.858 -0.586 -21.993 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.909 2.181 -22.711 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.306 1.301 -23.298 1.00 0.00 H new ATOM 0 HG LEU A 78 37.401 1.005 -24.121 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.432 1.130 -26.388 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.905 2.527 -25.392 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.048 1.187 -25.644 1.00 0.00 H new ATOM 0 HD21 LEU A 78 37.996 -1.076 -25.327 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.616 -1.038 -24.592 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.180 -1.276 -23.568 1.00 0.00 H new ATOM 1143 N ASP A 79 38.198 1.016 -19.793 1.00 0.00 N ATOM 1144 CA ASP A 79 38.266 1.706 -18.491 1.00 0.00 C ATOM 1145 C ASP A 79 38.381 0.670 -17.379 1.00 0.00 C ATOM 1146 O ASP A 79 39.017 0.882 -16.366 1.00 0.00 O ATOM 1147 CB ASP A 79 36.974 2.493 -18.300 1.00 0.00 C ATOM 1148 CG ASP A 79 37.245 3.716 -17.422 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.396 4.114 -17.335 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.299 4.234 -16.853 1.00 0.00 O ATOM 0 H ASP A 79 37.277 0.651 -20.037 1.00 0.00 H new ATOM 0 HA ASP A 79 39.129 2.372 -18.462 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.581 2.807 -19.267 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.216 1.861 -17.837 1.00 0.00 H new ATOM 1155 N GLN A 80 37.743 -0.447 -17.569 1.00 0.00 N ATOM 1156 CA GLN A 80 37.760 -1.523 -16.554 1.00 0.00 C ATOM 1157 C GLN A 80 39.076 -2.294 -16.632 1.00 0.00 C ATOM 1158 O GLN A 80 39.599 -2.755 -15.637 1.00 0.00 O ATOM 1159 CB GLN A 80 36.607 -2.469 -16.856 1.00 0.00 C ATOM 1160 CG GLN A 80 35.324 -1.666 -17.039 1.00 0.00 C ATOM 1161 CD GLN A 80 34.447 -1.819 -15.797 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.141 -2.920 -15.385 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.028 -0.751 -15.179 1.00 0.00 N ATOM 0 H GLN A 80 37.199 -0.661 -18.405 1.00 0.00 H new ATOM 0 HA GLN A 80 37.661 -1.097 -15.556 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.821 -3.043 -17.757 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.488 -3.185 -16.043 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.560 -0.615 -17.203 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.787 -2.014 -17.922 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.286 0.173 -15.526 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.443 -0.839 -14.348 1.00 0.00 H new ATOM 1172 N ALA A 81 39.609 -2.446 -17.810 1.00 0.00 N ATOM 1173 CA ALA A 81 40.883 -3.200 -17.958 1.00 0.00 C ATOM 1174 C ALA A 81 42.013 -2.451 -17.251 1.00 0.00 C ATOM 1175 O ALA A 81 42.839 -3.040 -16.582 1.00 0.00 O ATOM 1176 CB ALA A 81 41.222 -3.338 -19.443 1.00 0.00 C ATOM 0 H ALA A 81 39.217 -2.080 -18.678 1.00 0.00 H new ATOM 0 HA ALA A 81 40.769 -4.188 -17.512 1.00 0.00 H new ATOM 0 HB1 ALA A 81 42.155 -3.890 -19.553 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.421 -3.875 -19.951 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.332 -2.348 -19.885 1.00 0.00 H new ATOM 1182 N ALA A 82 42.074 -1.161 -17.419 1.00 0.00 N ATOM 1183 CA ALA A 82 43.162 -0.383 -16.789 1.00 0.00 C ATOM 1184 C ALA A 82 42.754 0.092 -15.393 1.00 0.00 C ATOM 1185 O ALA A 82 43.384 0.965 -14.827 1.00 0.00 O ATOM 1186 CB ALA A 82 43.479 0.833 -17.658 1.00 0.00 C ATOM 0 H ALA A 82 41.412 -0.614 -17.969 1.00 0.00 H new ATOM 0 HA ALA A 82 44.039 -1.023 -16.698 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.281 1.410 -17.198 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.793 0.501 -18.648 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.590 1.457 -17.750 1.00 0.00 H new ATOM 1192 N LYS A 83 41.710 -0.451 -14.821 1.00 0.00 N ATOM 1193 CA LYS A 83 41.317 0.024 -13.462 1.00 0.00 C ATOM 1194 C LYS A 83 40.806 -1.124 -12.588 1.00 0.00 C ATOM 1195 O LYS A 83 40.082 -0.906 -11.638 1.00 0.00 O ATOM 1196 CB LYS A 83 40.240 1.111 -13.583 1.00 0.00 C ATOM 1197 CG LYS A 83 38.864 0.468 -13.772 1.00 0.00 C ATOM 1198 CD LYS A 83 37.827 1.552 -14.081 1.00 0.00 C ATOM 1199 CE LYS A 83 37.503 2.329 -12.803 1.00 0.00 C ATOM 1200 NZ LYS A 83 36.831 3.612 -13.159 1.00 0.00 N ATOM 0 H LYS A 83 41.126 -1.184 -15.224 1.00 0.00 H new ATOM 0 HA LYS A 83 42.204 0.438 -12.981 1.00 0.00 H new ATOM 0 HB2 LYS A 83 40.239 1.734 -12.689 1.00 0.00 H new ATOM 0 HB3 LYS A 83 40.464 1.764 -14.427 1.00 0.00 H new ATOM 0 HG2 LYS A 83 38.899 -0.258 -14.585 1.00 0.00 H new ATOM 0 HG3 LYS A 83 38.579 -0.076 -12.871 1.00 0.00 H new ATOM 0 HD2 LYS A 83 38.210 2.230 -14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 83 36.921 1.099 -14.483 1.00 0.00 H new ATOM 0 HE2 LYS A 83 36.857 1.735 -12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 83 38.417 2.528 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 36.610 4.141 -12.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 37.463 4.180 -13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 35.951 3.411 -13.675 1.00 0.00 H new ATOM 1214 N GLY A 84 41.182 -2.336 -12.873 1.00 0.00 N ATOM 1215 CA GLY A 84 40.713 -3.455 -12.019 1.00 0.00 C ATOM 1216 C GLY A 84 39.366 -3.959 -12.524 1.00 0.00 C ATOM 1217 O GLY A 84 38.343 -3.724 -11.922 1.00 0.00 O ATOM 0 H GLY A 84 41.787 -2.598 -13.651 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.443 -4.265 -12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.623 -3.123 -10.985 1.00 0.00 H new ATOM 1221 N TRP A 85 39.377 -4.637 -13.633 1.00 0.00 N ATOM 1222 CA TRP A 85 38.114 -5.185 -14.225 1.00 0.00 C ATOM 1223 C TRP A 85 37.203 -5.757 -13.131 1.00 0.00 C ATOM 1224 O TRP A 85 37.217 -6.940 -12.854 1.00 0.00 O ATOM 1225 CB TRP A 85 38.462 -6.313 -15.199 1.00 0.00 C ATOM 1226 CG TRP A 85 38.212 -5.878 -16.602 1.00 0.00 C ATOM 1227 CD1 TRP A 85 39.138 -5.841 -17.584 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.971 -5.421 -17.196 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.537 -5.384 -18.741 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.201 -5.117 -18.554 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.685 -5.243 -16.686 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.180 -4.650 -19.381 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.653 -4.765 -17.509 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.894 -4.470 -18.855 1.00 0.00 C ATOM 0 H TRP A 85 40.220 -4.842 -14.169 1.00 0.00 H new ATOM 0 HA TRP A 85 37.596 -4.375 -14.738 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.508 -6.597 -15.080 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.864 -7.196 -14.973 1.00 0.00 H new ATOM 0 HD1 TRP A 85 40.176 -6.122 -17.482 1.00 0.00 H new ATOM 0 HE1 TRP A 85 39.026 -5.260 -19.628 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.482 -5.474 -15.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.379 -4.429 -20.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.664 -4.624 -17.099 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.095 -4.106 -19.484 1.00 0.00 H new ATOM 1245 N ALA A 86 36.411 -4.931 -12.513 1.00 0.00 N ATOM 1246 CA ALA A 86 35.491 -5.421 -11.444 1.00 0.00 C ATOM 1247 C ALA A 86 36.254 -6.352 -10.502 1.00 0.00 C ATOM 1248 O ALA A 86 35.686 -7.218 -9.868 1.00 0.00 O ATOM 1249 CB ALA A 86 34.328 -6.182 -12.082 1.00 0.00 C ATOM 0 H ALA A 86 36.358 -3.930 -12.701 1.00 0.00 H new ATOM 0 HA ALA A 86 35.104 -4.572 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.656 -6.540 -11.302 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.784 -5.518 -12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.714 -7.031 -12.646 1.00 0.00 H new ATOM 1255 N GLY A 87 37.539 -6.174 -10.408 1.00 0.00 N ATOM 1256 CA GLY A 87 38.352 -7.037 -9.510 1.00 0.00 C ATOM 1257 C GLY A 87 37.923 -8.496 -9.677 1.00 0.00 C ATOM 1258 O GLY A 87 38.041 -9.005 -10.780 1.00 0.00 O ATOM 1259 OXT GLY A 87 37.486 -9.081 -8.700 1.00 0.00 O ATOM 0 H GLY A 87 38.065 -5.464 -10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 87 39.411 -6.929 -9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.222 -6.725 -8.474 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.097 -9.129 -27.049 1.00 0.00 FE HETATM 1265 CHA HEC A 88 35.118 -9.801 -28.346 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.300 -6.215 -25.802 1.00 0.00 C HETATM 1267 CHC HEC A 88 29.059 -8.435 -25.795 1.00 0.00 C HETATM 1268 CHD HEC A 88 31.021 -12.195 -27.979 1.00 0.00 C HETATM 1269 NA HEC A 88 33.823 -8.217 -27.071 1.00 0.00 N HETATM 1270 C1A HEC A 88 34.974 -8.636 -27.670 1.00 0.00 C HETATM 1271 C2A HEC A 88 36.052 -7.736 -27.462 1.00 0.00 C HETATM 1272 C3A HEC A 88 35.577 -6.731 -26.705 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.175 -7.027 -26.483 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.369 -5.630 -26.100 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.435 -7.951 -27.946 1.00 0.00 C HETATM 1276 CBA HEC A 88 37.694 -7.411 -29.336 1.00 0.00 C HETATM 1277 CGA HEC A 88 37.050 -8.343 -30.356 1.00 0.00 C HETATM 1278 O1A HEC A 88 35.796 -8.403 -30.405 1.00 0.00 O HETATM 1279 O2A HEC A 88 37.813 -9.008 -31.106 1.00 0.00 O HETATM 1280 NB HEC A 88 31.332 -7.635 -26.055 1.00 0.00 N HETATM 1281 C1B HEC A 88 31.962 -6.496 -25.601 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.035 -5.635 -24.901 1.00 0.00 C HETATM 1283 C3B HEC A 88 29.830 -6.249 -24.954 1.00 0.00 C HETATM 1284 C4B HEC A 88 30.035 -7.485 -25.647 1.00 0.00 C HETATM 1285 CMB HEC A 88 31.362 -4.377 -24.168 1.00 0.00 C HETATM 1286 CAB HEC A 88 28.504 -5.631 -24.709 1.00 0.00 C HETATM 1287 CBB HEC A 88 28.247 -4.510 -25.713 1.00 0.00 C HETATM 1288 NC HEC A 88 30.410 -10.108 -26.895 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.237 -9.663 -26.359 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.214 -10.658 -26.402 1.00 0.00 C HETATM 1291 C3C HEC A 88 28.754 -11.768 -26.970 1.00 0.00 C HETATM 1292 C4C HEC A 88 30.127 -11.394 -27.297 1.00 0.00 C HETATM 1293 CMC HEC A 88 26.821 -10.489 -25.880 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.274 -13.148 -26.635 1.00 0.00 C HETATM 1295 CBC HEC A 88 29.235 -14.241 -27.041 1.00 0.00 C HETATM 1296 ND HEC A 88 32.888 -10.643 -27.992 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.309 -11.844 -28.312 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.231 -12.694 -29.041 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.379 -11.991 -29.159 1.00 0.00 C HETATM 1300 C4D HEC A 88 34.154 -10.742 -28.502 1.00 0.00 C HETATM 1301 CMD HEC A 88 32.964 -14.068 -29.556 1.00 0.00 C HETATM 1302 CAD HEC A 88 35.636 -12.391 -29.858 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.392 -12.731 -31.331 1.00 0.00 C HETATM 1304 CGD HEC A 88 36.367 -11.923 -32.176 1.00 0.00 C HETATM 1305 O1D HEC A 88 37.375 -12.515 -32.644 1.00 0.00 O HETATM 1306 O2D HEC A 88 36.115 -10.702 -32.366 1.00 0.00 O HETATM 0 HMD3 HEC A 88 32.712 -14.726 -28.724 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 32.132 -14.038 -30.260 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 33.853 -14.446 -30.061 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 26.856 -10.271 -24.813 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.334 -9.666 -26.402 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.257 -11.407 -26.044 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 32.066 -4.596 -23.365 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 31.809 -3.660 -24.857 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 30.450 -3.954 -23.746 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.117 -6.048 -25.426 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 36.867 -5.064 -26.888 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 35.706 -4.969 -25.542 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 35.534 -13.798 -31.503 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.364 -12.497 -31.609 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 29.392 -14.205 -28.119 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 30.187 -14.096 -26.531 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 28.820 -15.211 -26.767 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 29.019 -3.747 -25.612 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 28.268 -4.916 -26.725 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 27.270 -4.066 -25.521 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 37.284 -6.406 -29.432 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 38.766 -7.337 -29.518 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.362 -11.581 -29.789 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 36.072 -13.254 -29.354 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 38.129 -7.481 -27.250 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 37.650 -9.020 -27.937 1.00 0.00 H new HETATM 0 HHD HEC A 88 30.679 -13.186 -28.278 1.00 0.00 H new HETATM 0 HHC HEC A 88 28.061 -8.189 -25.433 1.00 0.00 H new HETATM 0 HHB HEC A 88 33.689 -5.283 -25.391 1.00 0.00 H new HETATM 0 HHA HEC A 88 36.088 -9.998 -28.802 1.00 0.00 H new HETATM 0 H2D HEC A 88 35.209 -10.502 -32.049 1.00 0.00 H new HETATM 0 H2A HEC A 88 37.286 -9.661 -31.612 1.00 0.00 H new