USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 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 -76:sc= 0.42 USER MOD Set 1.2: A 80 GLN : amide:sc= -5.57! C(o=-5.2!,f=-7.7!) USER MOD Set 2.1: A 52 GLN : amide:sc= -7.13! C(o=-15!,f=-17!) USER MOD Set 2.2: A 53 HIS :FLIP no HE2:sc= -7.61! C(o=-18!,f=-15!) USER MOD Set 3.1: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 28 ASN :FLIP amide:sc= -1.24! C(o=-2.1!,f=-1.2!) USER MOD Set 3.3: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.4: A 88 HEC O2D : rot 165:sc= 0 USER MOD Set 4.1: A 5 ASN : amide:sc= -1.57 K(o=-10,f=-13) USER MOD Set 4.2: A 8 LYS NZ :NH3+ -142:sc= -2.3 (180deg=-1.81) USER MOD Set 4.3: A 69 GLN : amide:sc= -6.19! C(o=-10!,f=-13!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -93:sc= 0.494 USER MOD Single : A 13 ASN :FLIP amide:sc= -4.5! C(o=-5.3!,f=-4.5!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -133:sc= -1.7! (180deg=-3.79!) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0208) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.44! C(o=-2.6!,f=-1.4!) USER MOD Single : A 41 MET CE :methyl -125:sc= -18.3! (180deg=-28.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -171:sc= -4.76! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -8.54! C(o=-12!,f=-8.5!) USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= -0.236 (180deg=-1.27) USER MOD Single : A 56 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.11) USER MOD Single : A 58 MET CE :methyl 159:sc= -8.96! (180deg=-11.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.59 X(o=-1.6,f=-2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HEC O2A : rot 73:sc= 0.792 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.815 11.364 -14.223 1.00 0.00 N ATOM 2 CA ALA A 1 32.787 9.912 -14.556 1.00 0.00 C ATOM 3 C ALA A 1 31.688 9.644 -15.587 1.00 0.00 C ATOM 4 O ALA A 1 30.531 9.944 -15.369 1.00 0.00 O ATOM 5 CB ALA A 1 32.503 9.104 -13.288 1.00 0.00 C ATOM 0 H1 ALA A 1 33.562 11.545 -13.522 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.007 11.914 -15.084 1.00 0.00 H new ATOM 0 H3 ALA A 1 31.895 11.648 -13.829 1.00 0.00 H new ATOM 0 HA ALA A 1 33.752 9.616 -14.969 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.482 8.042 -13.531 1.00 0.00 H new ATOM 0 HB2 ALA A 1 33.285 9.293 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.539 9.401 -12.876 1.00 0.00 H new ATOM 13 N ASP A 2 32.042 9.083 -16.711 1.00 0.00 N ATOM 14 CA ASP A 2 31.017 8.796 -17.757 1.00 0.00 C ATOM 15 C ASP A 2 31.029 7.307 -18.089 1.00 0.00 C ATOM 16 O ASP A 2 30.043 6.753 -18.533 1.00 0.00 O ATOM 17 CB ASP A 2 31.318 9.595 -19.028 1.00 0.00 C ATOM 18 CG ASP A 2 32.789 10.021 -19.046 1.00 0.00 C ATOM 19 OD1 ASP A 2 33.119 10.974 -18.357 1.00 0.00 O ATOM 20 OD2 ASP A 2 33.561 9.388 -19.747 1.00 0.00 O ATOM 0 H ASP A 2 32.995 8.811 -16.951 1.00 0.00 H new ATOM 0 HA ASP A 2 30.037 9.084 -17.376 1.00 0.00 H new ATOM 0 HB2 ASP A 2 31.095 8.991 -19.908 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.676 10.475 -19.074 1.00 0.00 H new ATOM 25 N LEU A 3 32.134 6.648 -17.874 1.00 0.00 N ATOM 26 CA LEU A 3 32.195 5.194 -18.177 1.00 0.00 C ATOM 27 C LEU A 3 31.299 4.440 -17.195 1.00 0.00 C ATOM 28 O LEU A 3 31.082 3.252 -17.327 1.00 0.00 O ATOM 29 CB LEU A 3 33.637 4.700 -18.051 1.00 0.00 C ATOM 30 CG LEU A 3 34.527 5.486 -19.018 1.00 0.00 C ATOM 31 CD1 LEU A 3 35.740 6.034 -18.266 1.00 0.00 C ATOM 32 CD2 LEU A 3 34.999 4.565 -20.146 1.00 0.00 C ATOM 0 H LEU A 3 32.993 7.053 -17.503 1.00 0.00 H new ATOM 0 HA LEU A 3 31.849 5.017 -19.195 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.990 4.829 -17.028 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.689 3.634 -18.275 1.00 0.00 H new ATOM 0 HG LEU A 3 33.957 6.314 -19.441 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.373 6.593 -18.955 1.00 0.00 H new ATOM 0 HD12 LEU A 3 35.404 6.693 -17.465 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.309 5.207 -17.841 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.632 5.126 -20.833 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.567 3.735 -19.725 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.134 4.177 -20.684 1.00 0.00 H new ATOM 44 N ALA A 4 30.749 5.124 -16.224 1.00 0.00 N ATOM 45 CA ALA A 4 29.847 4.444 -15.270 1.00 0.00 C ATOM 46 C ALA A 4 28.656 3.955 -16.073 1.00 0.00 C ATOM 47 O ALA A 4 28.041 2.951 -15.773 1.00 0.00 O ATOM 48 CB ALA A 4 29.385 5.428 -14.194 1.00 0.00 C ATOM 0 H ALA A 4 30.890 6.120 -16.058 1.00 0.00 H new ATOM 0 HA ALA A 4 30.352 3.617 -14.771 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.721 4.918 -13.496 1.00 0.00 H new ATOM 0 HB2 ALA A 4 30.252 5.812 -13.656 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.853 6.256 -14.662 1.00 0.00 H new ATOM 54 N ASN A 5 28.357 4.664 -17.122 1.00 0.00 N ATOM 55 CA ASN A 5 27.238 4.273 -18.006 1.00 0.00 C ATOM 56 C ASN A 5 27.685 3.062 -18.823 1.00 0.00 C ATOM 57 O ASN A 5 26.903 2.204 -19.177 1.00 0.00 O ATOM 58 CB ASN A 5 26.931 5.447 -18.929 1.00 0.00 C ATOM 59 CG ASN A 5 25.459 5.845 -18.785 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.790 6.102 -19.765 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.924 5.907 -17.595 1.00 0.00 N ATOM 0 H ASN A 5 28.851 5.510 -17.405 1.00 0.00 H new ATOM 0 HA ASN A 5 26.345 4.018 -17.435 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.572 6.293 -18.683 1.00 0.00 H new ATOM 0 HB3 ASN A 5 27.145 5.175 -19.963 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.945 6.171 -17.489 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.486 5.691 -16.771 1.00 0.00 H new ATOM 68 N GLY A 6 28.956 2.979 -19.105 1.00 0.00 N ATOM 69 CA GLY A 6 29.480 1.822 -19.872 1.00 0.00 C ATOM 70 C GLY A 6 29.157 0.545 -19.100 1.00 0.00 C ATOM 71 O GLY A 6 28.473 -0.317 -19.586 1.00 0.00 O ATOM 0 H GLY A 6 29.656 3.669 -18.834 1.00 0.00 H new ATOM 0 HA2 GLY A 6 29.030 1.789 -20.864 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.557 1.917 -20.014 1.00 0.00 H new ATOM 75 N ALA A 7 29.641 0.426 -17.895 1.00 0.00 N ATOM 76 CA ALA A 7 29.359 -0.798 -17.093 1.00 0.00 C ATOM 77 C ALA A 7 27.858 -1.055 -17.056 1.00 0.00 C ATOM 78 O ALA A 7 27.418 -2.177 -16.937 1.00 0.00 O ATOM 79 CB ALA A 7 29.863 -0.618 -15.661 1.00 0.00 C ATOM 0 H ALA A 7 30.221 1.125 -17.430 1.00 0.00 H new ATOM 0 HA ALA A 7 29.870 -1.642 -17.556 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.651 -1.519 -15.085 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.938 -0.440 -15.673 1.00 0.00 H new ATOM 0 HB3 ALA A 7 29.359 0.233 -15.202 1.00 0.00 H new ATOM 85 N LYS A 8 27.063 -0.029 -17.150 1.00 0.00 N ATOM 86 CA LYS A 8 25.596 -0.244 -17.119 1.00 0.00 C ATOM 87 C LYS A 8 25.210 -1.097 -18.326 1.00 0.00 C ATOM 88 O LYS A 8 24.424 -2.018 -18.228 1.00 0.00 O ATOM 89 CB LYS A 8 24.865 1.101 -17.175 1.00 0.00 C ATOM 90 CG LYS A 8 23.399 0.877 -17.579 1.00 0.00 C ATOM 91 CD LYS A 8 23.208 1.189 -19.071 1.00 0.00 C ATOM 92 CE LYS A 8 23.800 2.557 -19.401 1.00 0.00 C ATOM 93 NZ LYS A 8 23.507 3.518 -18.297 1.00 0.00 N ATOM 0 H LYS A 8 27.364 0.941 -17.246 1.00 0.00 H new ATOM 0 HA LYS A 8 25.314 -0.750 -16.196 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.914 1.593 -16.204 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.353 1.762 -17.892 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.111 -0.155 -17.376 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.748 1.514 -16.980 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.689 0.420 -19.676 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.147 1.173 -19.321 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.877 2.472 -19.544 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.382 2.927 -20.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.298 4.454 -18.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.686 3.183 -17.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.333 3.587 -17.669 1.00 0.00 H new ATOM 107 N VAL A 9 25.762 -0.792 -19.468 1.00 0.00 N ATOM 108 CA VAL A 9 25.436 -1.574 -20.689 1.00 0.00 C ATOM 109 C VAL A 9 26.199 -2.899 -20.675 1.00 0.00 C ATOM 110 O VAL A 9 25.633 -3.948 -20.896 1.00 0.00 O ATOM 111 CB VAL A 9 25.835 -0.754 -21.915 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.053 -1.667 -23.128 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.704 0.230 -22.236 1.00 0.00 C ATOM 0 H VAL A 9 26.427 -0.031 -19.606 1.00 0.00 H new ATOM 0 HA VAL A 9 24.368 -1.788 -20.720 1.00 0.00 H new ATOM 0 HB VAL A 9 26.763 -0.223 -21.701 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.336 -1.064 -23.991 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.846 -2.381 -22.908 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.131 -2.205 -23.349 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.975 0.823 -23.110 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.788 -0.323 -22.443 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.544 0.891 -21.384 1.00 0.00 H new ATOM 123 N PHE A 10 27.480 -2.861 -20.437 1.00 0.00 N ATOM 124 CA PHE A 10 28.263 -4.119 -20.431 1.00 0.00 C ATOM 125 C PHE A 10 27.725 -5.055 -19.351 1.00 0.00 C ATOM 126 O PHE A 10 27.896 -6.256 -19.410 1.00 0.00 O ATOM 127 CB PHE A 10 29.728 -3.787 -20.152 1.00 0.00 C ATOM 128 CG PHE A 10 30.500 -5.062 -19.934 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.328 -5.771 -18.747 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.384 -5.540 -20.913 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.029 -6.953 -18.530 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.088 -6.728 -20.694 1.00 0.00 C ATOM 133 CZ PHE A 10 31.910 -7.435 -19.501 1.00 0.00 C ATOM 0 H PHE A 10 28.014 -2.013 -20.247 1.00 0.00 H new ATOM 0 HA PHE A 10 28.178 -4.614 -21.398 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.152 -3.232 -20.989 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.806 -3.147 -19.273 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.648 -5.402 -17.993 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.520 -4.992 -21.833 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.892 -7.499 -17.609 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.769 -7.099 -21.446 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.453 -8.353 -19.330 1.00 0.00 H new ATOM 143 N SER A 11 27.084 -4.509 -18.367 1.00 0.00 N ATOM 144 CA SER A 11 26.533 -5.356 -17.267 1.00 0.00 C ATOM 145 C SER A 11 25.128 -5.829 -17.639 1.00 0.00 C ATOM 146 O SER A 11 24.348 -6.218 -16.792 1.00 0.00 O ATOM 147 CB SER A 11 26.471 -4.540 -15.973 1.00 0.00 C ATOM 148 OG SER A 11 25.366 -3.650 -16.026 1.00 0.00 O ATOM 0 H SER A 11 26.913 -3.508 -18.270 1.00 0.00 H new ATOM 0 HA SER A 11 27.180 -6.221 -17.120 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.374 -5.206 -15.115 1.00 0.00 H new ATOM 0 HB3 SER A 11 27.396 -3.980 -15.839 1.00 0.00 H new ATOM 0 HG SER A 11 25.662 -2.781 -16.368 1.00 0.00 H new ATOM 154 N GLY A 12 24.799 -5.797 -18.899 1.00 0.00 N ATOM 155 CA GLY A 12 23.450 -6.242 -19.324 1.00 0.00 C ATOM 156 C GLY A 12 23.491 -6.833 -20.743 1.00 0.00 C ATOM 157 O GLY A 12 22.469 -7.191 -21.295 1.00 0.00 O ATOM 0 H GLY A 12 25.410 -5.481 -19.652 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.072 -6.988 -18.625 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.759 -5.400 -19.296 1.00 0.00 H new ATOM 161 N ASN A 13 24.648 -6.945 -21.341 1.00 0.00 N ATOM 162 CA ASN A 13 24.716 -7.517 -22.716 1.00 0.00 C ATOM 163 C ASN A 13 26.032 -8.274 -22.890 1.00 0.00 C ATOM 164 O ASN A 13 26.058 -9.400 -23.348 1.00 0.00 O ATOM 165 CB ASN A 13 24.638 -6.386 -23.741 1.00 0.00 C ATOM 166 CG ASN A 13 23.448 -5.483 -23.409 1.00 0.00 C ATOM 167 OD1 ASN A 13 23.663 -4.307 -22.886 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 22.311 -5.851 -23.629 1.00 0.00 N flip ATOM 0 H ASN A 13 25.543 -6.667 -20.939 1.00 0.00 H new ATOM 0 HA ASN A 13 23.882 -8.202 -22.866 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.562 -5.807 -23.732 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.529 -6.796 -24.745 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.143 -6.770 -24.038 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.525 -5.241 -23.405 1.00 0.00 H new ATOM 175 N CYS A 14 27.125 -7.668 -22.520 1.00 0.00 N ATOM 176 CA CYS A 14 28.443 -8.354 -22.653 1.00 0.00 C ATOM 177 C CYS A 14 28.603 -9.337 -21.493 1.00 0.00 C ATOM 178 O CYS A 14 29.264 -10.349 -21.605 1.00 0.00 O ATOM 179 CB CYS A 14 29.576 -7.323 -22.596 1.00 0.00 C ATOM 180 SG CYS A 14 29.034 -5.748 -23.314 1.00 0.00 S ATOM 0 H CYS A 14 27.164 -6.726 -22.131 1.00 0.00 H new ATOM 0 HA CYS A 14 28.486 -8.881 -23.606 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.886 -7.171 -21.562 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.445 -7.697 -23.138 1.00 0.00 H new ATOM 185 N ALA A 15 28.003 -9.033 -20.379 1.00 0.00 N ATOM 186 CA ALA A 15 28.104 -9.928 -19.192 1.00 0.00 C ATOM 187 C ALA A 15 27.852 -11.381 -19.608 1.00 0.00 C ATOM 188 O ALA A 15 28.504 -12.292 -19.137 1.00 0.00 O ATOM 189 CB ALA A 15 27.063 -9.505 -18.157 1.00 0.00 C ATOM 0 H ALA A 15 27.441 -8.194 -20.237 1.00 0.00 H new ATOM 0 HA ALA A 15 29.104 -9.851 -18.765 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.131 -10.156 -17.285 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.248 -8.474 -17.855 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.066 -9.583 -18.591 1.00 0.00 H new ATOM 195 N ALA A 16 26.909 -11.606 -20.479 1.00 0.00 N ATOM 196 CA ALA A 16 26.613 -13.001 -20.914 1.00 0.00 C ATOM 197 C ALA A 16 27.876 -13.650 -21.489 1.00 0.00 C ATOM 198 O ALA A 16 28.167 -14.800 -21.228 1.00 0.00 O ATOM 199 CB ALA A 16 25.521 -12.976 -21.987 1.00 0.00 C ATOM 0 H ALA A 16 26.330 -10.885 -20.909 1.00 0.00 H new ATOM 0 HA ALA A 16 26.274 -13.580 -20.055 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.302 -13.995 -22.307 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.618 -12.523 -21.577 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.864 -12.393 -22.842 1.00 0.00 H new ATOM 205 N CYS A 17 28.623 -12.927 -22.278 1.00 0.00 N ATOM 206 CA CYS A 17 29.857 -13.510 -22.878 1.00 0.00 C ATOM 207 C CYS A 17 31.088 -12.767 -22.386 1.00 0.00 C ATOM 208 O CYS A 17 32.060 -12.624 -23.102 1.00 0.00 O ATOM 209 CB CYS A 17 29.788 -13.381 -24.382 1.00 0.00 C ATOM 210 SG CYS A 17 28.317 -14.250 -24.993 1.00 0.00 S ATOM 0 H CYS A 17 28.432 -11.958 -22.533 1.00 0.00 H new ATOM 0 HA CYS A 17 29.926 -14.558 -22.586 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.747 -12.330 -24.667 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.686 -13.800 -24.836 1.00 0.00 H new ATOM 215 N HIS A 18 31.064 -12.290 -21.183 1.00 0.00 N ATOM 216 CA HIS A 18 32.240 -11.552 -20.669 1.00 0.00 C ATOM 217 C HIS A 18 32.141 -11.448 -19.149 1.00 0.00 C ATOM 218 O HIS A 18 32.798 -12.161 -18.420 1.00 0.00 O ATOM 219 CB HIS A 18 32.248 -10.150 -21.285 1.00 0.00 C ATOM 220 CG HIS A 18 32.779 -10.210 -22.674 1.00 0.00 C ATOM 221 ND1 HIS A 18 34.128 -10.319 -22.914 1.00 0.00 N ATOM 222 CD2 HIS A 18 32.174 -10.169 -23.900 1.00 0.00 C ATOM 223 CE1 HIS A 18 34.302 -10.344 -24.238 1.00 0.00 C ATOM 224 NE2 HIS A 18 33.142 -10.258 -24.894 1.00 0.00 N ATOM 0 H HIS A 18 30.283 -12.378 -20.533 1.00 0.00 H new ATOM 0 HA HIS A 18 33.159 -12.074 -20.934 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.238 -9.740 -21.290 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.861 -9.481 -20.681 1.00 0.00 H new ATOM 0 HD1 HIS A 18 34.863 -10.371 -22.209 1.00 0.00 H new ATOM 0 HD2 HIS A 18 31.111 -10.081 -24.069 1.00 0.00 H new ATOM 0 HE1 HIS A 18 35.265 -10.424 -24.720 1.00 0.00 H new ATOM 232 N MET A 19 31.308 -10.567 -18.682 1.00 0.00 N ATOM 233 CA MET A 19 31.123 -10.388 -17.209 1.00 0.00 C ATOM 234 C MET A 19 32.473 -10.183 -16.513 1.00 0.00 C ATOM 235 O MET A 19 33.308 -11.065 -16.475 1.00 0.00 O ATOM 236 CB MET A 19 30.438 -11.615 -16.628 1.00 0.00 C ATOM 237 CG MET A 19 29.152 -11.191 -15.914 1.00 0.00 C ATOM 238 SD MET A 19 29.378 -11.343 -14.124 1.00 0.00 S ATOM 239 CE MET A 19 29.032 -13.115 -14.002 1.00 0.00 C ATOM 0 H MET A 19 30.737 -9.952 -19.262 1.00 0.00 H new ATOM 0 HA MET A 19 30.506 -9.505 -17.043 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.209 -12.326 -17.421 1.00 0.00 H new ATOM 0 HB3 MET A 19 31.105 -12.120 -15.929 1.00 0.00 H new ATOM 0 HG2 MET A 19 28.901 -10.163 -16.174 1.00 0.00 H new ATOM 0 HG3 MET A 19 28.320 -11.814 -16.241 1.00 0.00 H new ATOM 0 HE1 MET A 19 29.116 -13.431 -12.962 1.00 0.00 H new ATOM 0 HE2 MET A 19 28.022 -13.314 -14.361 1.00 0.00 H new ATOM 0 HE3 MET A 19 29.749 -13.668 -14.609 1.00 0.00 H new ATOM 249 N GLY A 20 32.692 -9.027 -15.948 1.00 0.00 N ATOM 250 CA GLY A 20 33.982 -8.772 -15.248 1.00 0.00 C ATOM 251 C GLY A 20 35.140 -9.162 -16.167 1.00 0.00 C ATOM 252 O GLY A 20 35.988 -9.957 -15.812 1.00 0.00 O ATOM 0 H GLY A 20 32.033 -8.248 -15.941 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.059 -7.720 -14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.027 -9.347 -14.323 1.00 0.00 H new ATOM 256 N GLY A 21 35.177 -8.605 -17.344 1.00 0.00 N ATOM 257 CA GLY A 21 36.270 -8.930 -18.298 1.00 0.00 C ATOM 258 C GLY A 21 36.575 -10.430 -18.252 1.00 0.00 C ATOM 259 O GLY A 21 37.503 -10.863 -17.599 1.00 0.00 O ATOM 0 H GLY A 21 34.491 -7.933 -17.688 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.981 -8.640 -19.308 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.165 -8.360 -18.047 1.00 0.00 H new ATOM 263 N GLY A 22 35.802 -11.225 -18.940 1.00 0.00 N ATOM 264 CA GLY A 22 36.052 -12.695 -18.933 1.00 0.00 C ATOM 265 C GLY A 22 35.270 -13.355 -20.068 1.00 0.00 C ATOM 266 O GLY A 22 34.100 -13.657 -19.936 1.00 0.00 O ATOM 0 H GLY A 22 35.009 -10.921 -19.506 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.118 -12.893 -19.049 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.751 -13.120 -17.976 1.00 0.00 H new ATOM 270 N ASN A 23 35.908 -13.587 -21.180 1.00 0.00 N ATOM 271 CA ASN A 23 35.206 -14.232 -22.323 1.00 0.00 C ATOM 272 C ASN A 23 34.677 -15.599 -21.888 1.00 0.00 C ATOM 273 O ASN A 23 35.242 -16.248 -21.030 1.00 0.00 O ATOM 274 CB ASN A 23 36.190 -14.409 -23.479 1.00 0.00 C ATOM 275 CG ASN A 23 35.483 -14.113 -24.804 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.896 -14.993 -25.401 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.516 -12.903 -25.290 1.00 0.00 N ATOM 0 H ASN A 23 36.888 -13.357 -21.347 1.00 0.00 H new ATOM 0 HA ASN A 23 34.372 -13.607 -22.644 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.041 -13.740 -23.352 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.582 -15.426 -23.484 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.049 -12.695 -26.172 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.009 -12.165 -24.788 1.00 0.00 H new ATOM 284 N VAL A 24 33.595 -16.045 -22.469 1.00 0.00 N ATOM 285 CA VAL A 24 33.041 -17.371 -22.079 1.00 0.00 C ATOM 286 C VAL A 24 33.044 -18.306 -23.292 1.00 0.00 C ATOM 287 O VAL A 24 32.893 -19.505 -23.164 1.00 0.00 O ATOM 288 CB VAL A 24 31.609 -17.196 -21.559 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.544 -15.958 -20.662 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.643 -17.021 -22.734 1.00 0.00 C ATOM 0 H VAL A 24 33.074 -15.550 -23.193 1.00 0.00 H new ATOM 0 HA VAL A 24 33.657 -17.805 -21.292 1.00 0.00 H new ATOM 0 HB VAL A 24 31.324 -18.081 -20.990 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.527 -15.831 -20.291 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.225 -16.083 -19.820 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.834 -15.078 -21.236 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.628 -16.897 -22.356 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.926 -16.139 -23.309 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.686 -17.902 -23.375 1.00 0.00 H new ATOM 300 N VAL A 25 33.217 -17.767 -24.467 1.00 0.00 N ATOM 301 CA VAL A 25 33.230 -18.624 -25.684 1.00 0.00 C ATOM 302 C VAL A 25 34.675 -18.856 -26.127 1.00 0.00 C ATOM 303 O VAL A 25 35.192 -19.952 -26.043 1.00 0.00 O ATOM 304 CB VAL A 25 32.453 -17.930 -26.806 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.204 -18.922 -27.943 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.112 -17.432 -26.262 1.00 0.00 C ATOM 0 H VAL A 25 33.350 -16.770 -24.636 1.00 0.00 H new ATOM 0 HA VAL A 25 32.762 -19.582 -25.460 1.00 0.00 H new ATOM 0 HB VAL A 25 33.031 -17.085 -27.181 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.651 -18.428 -28.742 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.158 -19.279 -28.330 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.625 -19.766 -27.569 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.557 -16.937 -27.059 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.534 -18.277 -25.888 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.288 -16.726 -25.451 1.00 0.00 H new ATOM 316 N MET A 26 35.335 -17.834 -26.601 1.00 0.00 N ATOM 317 CA MET A 26 36.744 -18.000 -27.050 1.00 0.00 C ATOM 318 C MET A 26 37.671 -18.068 -25.835 1.00 0.00 C ATOM 319 O MET A 26 37.493 -17.360 -24.864 1.00 0.00 O ATOM 320 CB MET A 26 37.140 -16.812 -27.923 1.00 0.00 C ATOM 321 CG MET A 26 36.929 -17.174 -29.392 1.00 0.00 C ATOM 322 SD MET A 26 38.118 -18.452 -29.873 1.00 0.00 S ATOM 323 CE MET A 26 37.953 -18.254 -31.664 1.00 0.00 C ATOM 0 H MET A 26 34.958 -16.891 -26.696 1.00 0.00 H new ATOM 0 HA MET A 26 36.833 -18.923 -27.622 1.00 0.00 H new ATOM 0 HB2 MET A 26 36.542 -15.939 -27.662 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.183 -16.548 -27.747 1.00 0.00 H new ATOM 0 HG2 MET A 26 35.911 -17.532 -29.547 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.055 -16.290 -30.018 1.00 0.00 H new ATOM 0 HE1 MET A 26 38.612 -18.959 -32.170 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.921 -18.446 -31.958 1.00 0.00 H new ATOM 0 HE3 MET A 26 38.227 -17.237 -31.944 1.00 0.00 H new ATOM 333 N ALA A 27 38.664 -18.913 -25.887 1.00 0.00 N ATOM 334 CA ALA A 27 39.609 -19.025 -24.743 1.00 0.00 C ATOM 335 C ALA A 27 40.888 -18.250 -25.071 1.00 0.00 C ATOM 336 O ALA A 27 41.960 -18.814 -25.160 1.00 0.00 O ATOM 337 CB ALA A 27 39.951 -20.497 -24.504 1.00 0.00 C ATOM 0 H ALA A 27 38.861 -19.531 -26.674 1.00 0.00 H new ATOM 0 HA ALA A 27 39.149 -18.612 -23.845 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.643 -20.578 -23.666 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.040 -21.050 -24.277 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.414 -20.913 -25.399 1.00 0.00 H new ATOM 343 N ASN A 28 40.782 -16.961 -25.253 1.00 0.00 N ATOM 344 CA ASN A 28 41.987 -16.156 -25.575 1.00 0.00 C ATOM 345 C ASN A 28 41.596 -14.686 -25.758 1.00 0.00 C ATOM 346 O ASN A 28 42.268 -13.794 -25.282 1.00 0.00 O ATOM 347 CB ASN A 28 42.622 -16.679 -26.865 1.00 0.00 C ATOM 348 CG ASN A 28 41.730 -16.318 -28.054 1.00 0.00 C ATOM 349 OD1 ASN A 28 40.598 -16.947 -28.219 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 42.067 -15.454 -28.840 1.00 0.00 N flip ATOM 0 H ASN A 28 39.911 -16.434 -25.192 1.00 0.00 H new ATOM 0 HA ASN A 28 42.702 -16.239 -24.757 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.614 -16.247 -26.996 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.750 -17.760 -26.808 1.00 0.00 H new ATOM 0 HD21 ASN A 28 42.952 -14.963 -28.710 1.00 0.00 H new ATOM 0 HD22 ASN A 28 41.465 -15.220 -29.629 1.00 0.00 H new ATOM 357 N LYS A 29 40.516 -14.425 -26.445 1.00 0.00 N ATOM 358 CA LYS A 29 40.093 -13.010 -26.656 1.00 0.00 C ATOM 359 C LYS A 29 39.357 -12.501 -25.415 1.00 0.00 C ATOM 360 O LYS A 29 38.149 -12.372 -25.405 1.00 0.00 O ATOM 361 CB LYS A 29 39.163 -12.928 -27.869 1.00 0.00 C ATOM 362 CG LYS A 29 39.937 -12.373 -29.066 1.00 0.00 C ATOM 363 CD LYS A 29 39.541 -13.139 -30.329 1.00 0.00 C ATOM 364 CE LYS A 29 40.360 -12.624 -31.515 1.00 0.00 C ATOM 365 NZ LYS A 29 41.039 -13.768 -32.184 1.00 0.00 N ATOM 0 H LYS A 29 39.910 -15.128 -26.868 1.00 0.00 H new ATOM 0 HA LYS A 29 40.975 -12.394 -26.831 1.00 0.00 H new ATOM 0 HB2 LYS A 29 38.767 -13.916 -28.105 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.310 -12.287 -27.645 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.724 -11.311 -29.190 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.009 -12.465 -28.893 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.714 -14.206 -30.190 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.476 -13.012 -30.526 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.711 -12.109 -32.223 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.098 -11.899 -31.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 41.596 -13.418 -32.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 41.670 -14.241 -31.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.326 -14.445 -32.523 1.00 0.00 H new ATOM 379 N THR A 30 40.078 -12.212 -24.365 1.00 0.00 N ATOM 380 CA THR A 30 39.424 -11.716 -23.123 1.00 0.00 C ATOM 381 C THR A 30 39.327 -10.185 -23.156 1.00 0.00 C ATOM 382 O THR A 30 39.821 -9.537 -24.058 1.00 0.00 O ATOM 383 CB THR A 30 40.253 -12.150 -21.912 1.00 0.00 C ATOM 384 OG1 THR A 30 40.722 -13.476 -22.114 1.00 0.00 O ATOM 385 CG2 THR A 30 39.387 -12.099 -20.652 1.00 0.00 C ATOM 0 H THR A 30 41.093 -12.299 -24.315 1.00 0.00 H new ATOM 0 HA THR A 30 38.419 -12.133 -23.052 1.00 0.00 H new ATOM 0 HB THR A 30 41.102 -11.477 -21.792 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.255 -13.756 -21.341 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.979 -12.408 -19.791 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.027 -11.082 -20.499 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.536 -12.771 -20.768 1.00 0.00 H new ATOM 393 N LEU A 31 38.685 -9.611 -22.175 1.00 0.00 N ATOM 394 CA LEU A 31 38.532 -8.124 -22.119 1.00 0.00 C ATOM 395 C LEU A 31 39.521 -7.549 -21.113 1.00 0.00 C ATOM 396 O LEU A 31 39.768 -6.362 -21.080 1.00 0.00 O ATOM 397 CB LEU A 31 37.126 -7.795 -21.609 1.00 0.00 C ATOM 398 CG LEU A 31 36.067 -7.902 -22.728 1.00 0.00 C ATOM 399 CD1 LEU A 31 35.471 -6.529 -23.029 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.663 -8.486 -24.016 1.00 0.00 C ATOM 0 H LEU A 31 38.254 -10.113 -21.399 1.00 0.00 H new ATOM 0 HA LEU A 31 38.705 -7.707 -23.111 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.866 -8.475 -20.797 1.00 0.00 H new ATOM 0 HB3 LEU A 31 37.117 -6.786 -21.196 1.00 0.00 H new ATOM 0 HG LEU A 31 35.286 -8.574 -22.372 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.726 -6.621 -23.820 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.999 -6.132 -22.130 1.00 0.00 H new ATOM 0 HD13 LEU A 31 36.262 -5.852 -23.352 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.889 -8.546 -24.781 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.470 -7.844 -24.367 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.054 -9.484 -23.816 1.00 0.00 H new ATOM 412 N LYS A 32 40.037 -8.377 -20.258 1.00 0.00 N ATOM 413 CA LYS A 32 40.959 -7.886 -19.200 1.00 0.00 C ATOM 414 C LYS A 32 42.047 -6.966 -19.769 1.00 0.00 C ATOM 415 O LYS A 32 41.967 -5.761 -19.642 1.00 0.00 O ATOM 416 CB LYS A 32 41.603 -9.077 -18.491 1.00 0.00 C ATOM 417 CG LYS A 32 40.676 -9.566 -17.377 1.00 0.00 C ATOM 418 CD LYS A 32 40.745 -11.091 -17.284 1.00 0.00 C ATOM 419 CE LYS A 32 42.207 -11.528 -17.165 1.00 0.00 C ATOM 420 NZ LYS A 32 42.738 -11.852 -18.519 1.00 0.00 N ATOM 0 H LYS A 32 39.860 -9.381 -20.244 1.00 0.00 H new ATOM 0 HA LYS A 32 40.374 -7.301 -18.490 1.00 0.00 H new ATOM 0 HB2 LYS A 32 41.790 -9.881 -19.203 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.569 -8.789 -18.076 1.00 0.00 H new ATOM 0 HG2 LYS A 32 40.967 -9.120 -16.426 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.652 -9.250 -17.577 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.178 -11.440 -16.421 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.290 -11.541 -18.166 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.800 -10.734 -16.710 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.286 -12.398 -16.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.245 -12.760 -18.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.950 -11.921 -19.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.391 -11.102 -18.824 1.00 0.00 H new ATOM 434 N LYS A 33 43.077 -7.508 -20.370 1.00 0.00 N ATOM 435 CA LYS A 33 44.160 -6.622 -20.906 1.00 0.00 C ATOM 436 C LYS A 33 45.067 -7.388 -21.875 1.00 0.00 C ATOM 437 O LYS A 33 45.426 -6.897 -22.927 1.00 0.00 O ATOM 438 CB LYS A 33 45.007 -6.114 -19.738 1.00 0.00 C ATOM 439 CG LYS A 33 45.807 -7.273 -19.139 1.00 0.00 C ATOM 440 CD LYS A 33 46.522 -6.800 -17.871 1.00 0.00 C ATOM 441 CE LYS A 33 47.915 -6.282 -18.237 1.00 0.00 C ATOM 442 NZ LYS A 33 47.908 -4.791 -18.224 1.00 0.00 N ATOM 0 H LYS A 33 43.216 -8.508 -20.512 1.00 0.00 H new ATOM 0 HA LYS A 33 43.698 -5.792 -21.441 1.00 0.00 H new ATOM 0 HB2 LYS A 33 45.684 -5.331 -20.080 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.365 -5.670 -18.977 1.00 0.00 H new ATOM 0 HG2 LYS A 33 45.142 -8.105 -18.905 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.534 -7.640 -19.864 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.945 -6.012 -17.387 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.603 -7.620 -17.158 1.00 0.00 H new ATOM 0 HE2 LYS A 33 48.653 -6.659 -17.529 1.00 0.00 H new ATOM 0 HE3 LYS A 33 48.203 -6.647 -19.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.691 -4.435 -18.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.005 -4.445 -18.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.024 -4.452 -17.248 1.00 0.00 H new ATOM 456 N GLU A 34 45.468 -8.572 -21.511 1.00 0.00 N ATOM 457 CA GLU A 34 46.384 -9.361 -22.381 1.00 0.00 C ATOM 458 C GLU A 34 45.734 -9.667 -23.735 1.00 0.00 C ATOM 459 O GLU A 34 46.395 -10.086 -24.663 1.00 0.00 O ATOM 460 CB GLU A 34 46.736 -10.675 -21.681 1.00 0.00 C ATOM 461 CG GLU A 34 47.573 -10.379 -20.434 1.00 0.00 C ATOM 462 CD GLU A 34 49.052 -10.616 -20.744 1.00 0.00 C ATOM 463 OE1 GLU A 34 49.627 -9.805 -21.450 1.00 0.00 O ATOM 464 OE2 GLU A 34 49.585 -11.605 -20.267 1.00 0.00 O ATOM 0 H GLU A 34 45.199 -9.032 -20.641 1.00 0.00 H new ATOM 0 HA GLU A 34 47.284 -8.772 -22.557 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.826 -11.207 -21.404 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.291 -11.324 -22.359 1.00 0.00 H new ATOM 0 HG2 GLU A 34 47.418 -9.348 -20.115 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.256 -11.019 -19.610 1.00 0.00 H new ATOM 471 N ALA A 35 44.452 -9.482 -23.856 1.00 0.00 N ATOM 472 CA ALA A 35 43.785 -9.785 -25.147 1.00 0.00 C ATOM 473 C ALA A 35 43.428 -8.496 -25.886 1.00 0.00 C ATOM 474 O ALA A 35 43.648 -8.372 -27.073 1.00 0.00 O ATOM 475 CB ALA A 35 42.514 -10.591 -24.887 1.00 0.00 C ATOM 0 H ALA A 35 43.839 -9.135 -23.118 1.00 0.00 H new ATOM 0 HA ALA A 35 44.471 -10.363 -25.766 1.00 0.00 H new ATOM 0 HB1 ALA A 35 42.024 -10.814 -25.835 1.00 0.00 H new ATOM 0 HB2 ALA A 35 42.771 -11.523 -24.384 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.839 -10.012 -24.257 1.00 0.00 H new ATOM 481 N LEU A 36 42.868 -7.541 -25.203 1.00 0.00 N ATOM 482 CA LEU A 36 42.497 -6.272 -25.888 1.00 0.00 C ATOM 483 C LEU A 36 43.756 -5.609 -26.436 1.00 0.00 C ATOM 484 O LEU A 36 43.738 -4.973 -27.471 1.00 0.00 O ATOM 485 CB LEU A 36 41.802 -5.325 -24.907 1.00 0.00 C ATOM 486 CG LEU A 36 42.533 -5.309 -23.577 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.464 -3.903 -22.985 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.845 -6.282 -22.625 1.00 0.00 C ATOM 0 H LEU A 36 42.652 -7.581 -24.207 1.00 0.00 H new ATOM 0 HA LEU A 36 41.812 -6.494 -26.706 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.771 -4.318 -25.324 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.769 -5.640 -24.758 1.00 0.00 H new ATOM 0 HG LEU A 36 43.574 -5.599 -23.721 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.987 -3.885 -22.029 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.934 -3.197 -23.669 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.422 -3.623 -22.833 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.362 -6.279 -21.665 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.809 -5.977 -22.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.872 -7.286 -23.049 1.00 0.00 H new ATOM 500 N GLU A 37 44.850 -5.752 -25.748 1.00 0.00 N ATOM 501 CA GLU A 37 46.107 -5.136 -26.218 1.00 0.00 C ATOM 502 C GLU A 37 46.854 -6.119 -27.124 1.00 0.00 C ATOM 503 O GLU A 37 47.873 -5.798 -27.701 1.00 0.00 O ATOM 504 CB GLU A 37 46.957 -4.772 -25.007 1.00 0.00 C ATOM 505 CG GLU A 37 46.038 -4.164 -23.946 1.00 0.00 C ATOM 506 CD GLU A 37 46.593 -2.806 -23.508 1.00 0.00 C ATOM 507 OE1 GLU A 37 46.513 -1.874 -24.292 1.00 0.00 O ATOM 508 OE2 GLU A 37 47.094 -2.723 -22.399 1.00 0.00 O ATOM 0 H GLU A 37 44.923 -6.274 -24.875 1.00 0.00 H new ATOM 0 HA GLU A 37 45.893 -4.234 -26.791 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.458 -5.657 -24.614 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.735 -4.063 -25.288 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.031 -4.045 -24.346 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.963 -4.832 -23.088 1.00 0.00 H new ATOM 515 N GLN A 38 46.337 -7.309 -27.264 1.00 0.00 N ATOM 516 CA GLN A 38 46.971 -8.312 -28.130 1.00 0.00 C ATOM 517 C GLN A 38 46.644 -7.964 -29.568 1.00 0.00 C ATOM 518 O GLN A 38 47.506 -7.710 -30.386 1.00 0.00 O ATOM 519 CB GLN A 38 46.352 -9.670 -27.810 1.00 0.00 C ATOM 520 CG GLN A 38 47.360 -10.794 -28.015 1.00 0.00 C ATOM 521 CD GLN A 38 48.430 -10.395 -29.039 1.00 0.00 C ATOM 522 OE1 GLN A 38 49.505 -9.779 -28.630 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 48.284 -10.645 -30.219 1.00 0.00 N flip ATOM 0 H GLN A 38 45.485 -7.623 -26.800 1.00 0.00 H new ATOM 0 HA GLN A 38 48.050 -8.335 -27.976 1.00 0.00 H new ATOM 0 HB2 GLN A 38 45.998 -9.678 -26.779 1.00 0.00 H new ATOM 0 HB3 GLN A 38 45.483 -9.836 -28.447 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.835 -11.039 -27.065 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.844 -11.692 -28.354 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.443 -11.127 -30.538 1.00 0.00 H new ATOM 0 HE22 GLN A 38 49.002 -10.373 -30.891 1.00 0.00 H new ATOM 532 N PHE A 39 45.382 -7.939 -29.858 1.00 0.00 N ATOM 533 CA PHE A 39 44.935 -7.598 -31.225 1.00 0.00 C ATOM 534 C PHE A 39 44.786 -6.079 -31.364 1.00 0.00 C ATOM 535 O PHE A 39 45.333 -5.483 -32.270 1.00 0.00 O ATOM 536 CB PHE A 39 43.611 -8.298 -31.544 1.00 0.00 C ATOM 537 CG PHE A 39 42.832 -8.594 -30.284 1.00 0.00 C ATOM 538 CD1 PHE A 39 42.039 -7.606 -29.691 1.00 0.00 C ATOM 539 CD2 PHE A 39 42.898 -9.872 -29.715 1.00 0.00 C ATOM 540 CE1 PHE A 39 41.315 -7.896 -28.529 1.00 0.00 C ATOM 541 CE2 PHE A 39 42.174 -10.161 -28.554 1.00 0.00 C ATOM 542 CZ PHE A 39 41.382 -9.173 -27.960 1.00 0.00 C ATOM 0 H PHE A 39 44.632 -8.143 -29.198 1.00 0.00 H new ATOM 0 HA PHE A 39 45.685 -7.943 -31.937 1.00 0.00 H new ATOM 0 HB2 PHE A 39 43.014 -7.669 -32.204 1.00 0.00 H new ATOM 0 HB3 PHE A 39 43.807 -9.227 -32.080 1.00 0.00 H new ATOM 0 HD1 PHE A 39 41.986 -6.620 -30.129 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.509 -10.635 -30.174 1.00 0.00 H new ATOM 0 HE1 PHE A 39 40.703 -7.133 -28.070 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.226 -11.147 -28.116 1.00 0.00 H new ATOM 0 HZ PHE A 39 40.823 -9.395 -27.063 1.00 0.00 H new ATOM 552 N GLY A 40 44.074 -5.437 -30.478 1.00 0.00 N ATOM 553 CA GLY A 40 43.943 -3.953 -30.593 1.00 0.00 C ATOM 554 C GLY A 40 42.528 -3.480 -30.237 1.00 0.00 C ATOM 555 O GLY A 40 42.107 -2.420 -30.656 1.00 0.00 O ATOM 0 H GLY A 40 43.584 -5.865 -29.692 1.00 0.00 H new ATOM 0 HA2 GLY A 40 44.665 -3.472 -29.933 1.00 0.00 H new ATOM 0 HA3 GLY A 40 44.185 -3.644 -31.610 1.00 0.00 H new ATOM 559 N MET A 41 41.792 -4.225 -29.458 1.00 0.00 N ATOM 560 CA MET A 41 40.424 -3.758 -29.087 1.00 0.00 C ATOM 561 C MET A 41 40.562 -2.639 -28.048 1.00 0.00 C ATOM 562 O MET A 41 39.666 -1.845 -27.841 1.00 0.00 O ATOM 563 CB MET A 41 39.615 -4.915 -28.504 1.00 0.00 C ATOM 564 CG MET A 41 39.996 -5.102 -27.046 1.00 0.00 C ATOM 565 SD MET A 41 38.922 -4.082 -26.004 1.00 0.00 S ATOM 566 CE MET A 41 38.496 -5.356 -24.791 1.00 0.00 C ATOM 0 H MET A 41 42.072 -5.124 -29.067 1.00 0.00 H new ATOM 0 HA MET A 41 39.904 -3.387 -29.970 1.00 0.00 H new ATOM 0 HB2 MET A 41 38.548 -4.709 -28.591 1.00 0.00 H new ATOM 0 HB3 MET A 41 39.810 -5.830 -29.064 1.00 0.00 H new ATOM 0 HG2 MET A 41 39.902 -6.151 -26.766 1.00 0.00 H new ATOM 0 HG3 MET A 41 41.039 -4.824 -26.893 1.00 0.00 H new ATOM 0 HE1 MET A 41 37.412 -5.446 -24.723 1.00 0.00 H new ATOM 0 HE2 MET A 41 38.921 -6.311 -25.102 1.00 0.00 H new ATOM 0 HE3 MET A 41 38.899 -5.080 -23.816 1.00 0.00 H new ATOM 576 N TYR A 42 41.695 -2.581 -27.399 1.00 0.00 N ATOM 577 CA TYR A 42 41.935 -1.528 -26.371 1.00 0.00 C ATOM 578 C TYR A 42 41.508 -0.167 -26.924 1.00 0.00 C ATOM 579 O TYR A 42 41.234 0.757 -26.185 1.00 0.00 O ATOM 580 CB TYR A 42 43.432 -1.504 -26.035 1.00 0.00 C ATOM 581 CG TYR A 42 43.667 -0.765 -24.738 1.00 0.00 C ATOM 582 CD1 TYR A 42 43.475 0.621 -24.670 1.00 0.00 C ATOM 583 CD2 TYR A 42 44.081 -1.467 -23.600 1.00 0.00 C ATOM 584 CE1 TYR A 42 43.696 1.301 -23.465 1.00 0.00 C ATOM 585 CE2 TYR A 42 44.300 -0.788 -22.396 1.00 0.00 C ATOM 586 CZ TYR A 42 44.108 0.596 -22.328 1.00 0.00 C ATOM 587 OH TYR A 42 44.325 1.266 -21.142 1.00 0.00 O ATOM 0 H TYR A 42 42.472 -3.226 -27.540 1.00 0.00 H new ATOM 0 HA TYR A 42 41.357 -1.743 -25.472 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.810 -2.523 -25.954 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.985 -1.022 -26.841 1.00 0.00 H new ATOM 0 HD1 TYR A 42 43.157 1.166 -25.547 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.232 -2.535 -23.651 1.00 0.00 H new ATOM 0 HE1 TYR A 42 43.548 2.370 -23.413 1.00 0.00 H new ATOM 0 HE2 TYR A 42 44.617 -1.333 -21.519 1.00 0.00 H new ATOM 0 HH TYR A 42 44.605 0.628 -20.453 1.00 0.00 H new ATOM 597 N SER A 43 41.453 -0.034 -28.219 1.00 0.00 N ATOM 598 CA SER A 43 41.054 1.268 -28.815 1.00 0.00 C ATOM 599 C SER A 43 39.537 1.314 -29.017 1.00 0.00 C ATOM 600 O SER A 43 38.940 0.416 -29.588 1.00 0.00 O ATOM 601 CB SER A 43 41.752 1.443 -30.165 1.00 0.00 C ATOM 602 OG SER A 43 41.119 0.625 -31.135 1.00 0.00 O ATOM 0 H SER A 43 41.667 -0.772 -28.890 1.00 0.00 H new ATOM 0 HA SER A 43 41.347 2.072 -28.140 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.713 2.488 -30.474 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.805 1.175 -30.079 1.00 0.00 H new ATOM 0 HG SER A 43 41.648 0.626 -31.960 1.00 0.00 H new ATOM 608 N GLU A 44 38.914 2.366 -28.556 1.00 0.00 N ATOM 609 CA GLU A 44 37.446 2.510 -28.718 1.00 0.00 C ATOM 610 C GLU A 44 37.051 2.101 -30.133 1.00 0.00 C ATOM 611 O GLU A 44 36.318 1.168 -30.325 1.00 0.00 O ATOM 612 CB GLU A 44 37.053 3.970 -28.488 1.00 0.00 C ATOM 613 CG GLU A 44 36.747 4.192 -27.006 1.00 0.00 C ATOM 614 CD GLU A 44 37.426 5.479 -26.534 1.00 0.00 C ATOM 615 OE1 GLU A 44 38.644 5.492 -26.463 1.00 0.00 O ATOM 616 OE2 GLU A 44 36.717 6.430 -26.249 1.00 0.00 O ATOM 0 H GLU A 44 39.369 3.138 -28.069 1.00 0.00 H new ATOM 0 HA GLU A 44 36.935 1.873 -27.996 1.00 0.00 H new ATOM 0 HB2 GLU A 44 37.861 4.629 -28.805 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.181 4.222 -29.091 1.00 0.00 H new ATOM 0 HG2 GLU A 44 35.670 4.258 -26.852 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.101 3.345 -26.419 1.00 0.00 H new ATOM 623 N ASP A 45 37.526 2.798 -31.125 1.00 0.00 N ATOM 624 CA ASP A 45 37.160 2.450 -32.523 1.00 0.00 C ATOM 625 C ASP A 45 37.353 0.949 -32.781 1.00 0.00 C ATOM 626 O ASP A 45 36.597 0.338 -33.510 1.00 0.00 O ATOM 627 CB ASP A 45 38.034 3.243 -33.478 1.00 0.00 C ATOM 628 CG ASP A 45 37.472 3.135 -34.897 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.393 3.657 -35.127 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.130 2.534 -35.730 1.00 0.00 O ATOM 0 H ASP A 45 38.154 3.596 -31.027 1.00 0.00 H new ATOM 0 HA ASP A 45 36.110 2.695 -32.682 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.072 4.288 -33.170 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.056 2.865 -33.451 1.00 0.00 H new ATOM 635 N ALA A 46 38.358 0.352 -32.201 1.00 0.00 N ATOM 636 CA ALA A 46 38.592 -1.104 -32.434 1.00 0.00 C ATOM 637 C ALA A 46 37.400 -1.914 -31.937 1.00 0.00 C ATOM 638 O ALA A 46 36.572 -2.361 -32.706 1.00 0.00 O ATOM 639 CB ALA A 46 39.852 -1.545 -31.687 1.00 0.00 C ATOM 0 H ALA A 46 39.026 0.806 -31.578 1.00 0.00 H new ATOM 0 HA ALA A 46 38.719 -1.275 -33.503 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.023 -2.608 -31.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.708 -0.977 -32.051 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.724 -1.364 -30.620 1.00 0.00 H new ATOM 645 N ILE A 47 37.314 -2.115 -30.661 1.00 0.00 N ATOM 646 CA ILE A 47 36.190 -2.905 -30.099 1.00 0.00 C ATOM 647 C ILE A 47 34.859 -2.260 -30.462 1.00 0.00 C ATOM 648 O ILE A 47 33.814 -2.872 -30.379 1.00 0.00 O ATOM 649 CB ILE A 47 36.343 -2.935 -28.594 1.00 0.00 C ATOM 650 CG1 ILE A 47 35.266 -3.820 -27.981 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.192 -1.527 -28.029 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.311 -3.655 -26.463 1.00 0.00 C ATOM 0 H ILE A 47 37.980 -1.763 -29.973 1.00 0.00 H new ATOM 0 HA ILE A 47 36.207 -3.916 -30.507 1.00 0.00 H new ATOM 0 HB ILE A 47 37.330 -3.329 -28.353 1.00 0.00 H new ATOM 0 HG12 ILE A 47 34.284 -3.542 -28.364 1.00 0.00 H new ATOM 0 HG13 ILE A 47 35.431 -4.862 -28.254 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.303 -1.556 -26.945 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.958 -0.880 -28.455 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.206 -1.137 -28.282 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.546 -4.282 -26.006 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.292 -3.953 -26.094 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.127 -2.612 -26.205 1.00 0.00 H new ATOM 664 N ILE A 48 34.894 -1.033 -30.867 1.00 0.00 N ATOM 665 CA ILE A 48 33.636 -0.335 -31.240 1.00 0.00 C ATOM 666 C ILE A 48 33.121 -0.942 -32.547 1.00 0.00 C ATOM 667 O ILE A 48 31.936 -1.140 -32.727 1.00 0.00 O ATOM 668 CB ILE A 48 33.914 1.167 -31.388 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.856 1.825 -30.008 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.864 1.816 -32.278 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.241 3.301 -30.129 1.00 0.00 C ATOM 0 H ILE A 48 35.743 -0.475 -30.958 1.00 0.00 H new ATOM 0 HA ILE A 48 32.875 -0.459 -30.470 1.00 0.00 H new ATOM 0 HB ILE A 48 34.899 1.299 -31.836 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.853 1.733 -29.592 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.534 1.317 -29.322 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.075 2.881 -32.373 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.886 1.352 -33.264 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.877 1.680 -31.835 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.200 3.770 -29.146 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.252 3.382 -30.527 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.546 3.805 -30.800 1.00 0.00 H new ATOM 683 N TYR A 49 34.008 -1.280 -33.442 1.00 0.00 N ATOM 684 CA TYR A 49 33.575 -1.922 -34.712 1.00 0.00 C ATOM 685 C TYR A 49 33.401 -3.418 -34.450 1.00 0.00 C ATOM 686 O TYR A 49 32.745 -4.124 -35.188 1.00 0.00 O ATOM 687 CB TYR A 49 34.630 -1.720 -35.794 1.00 0.00 C ATOM 688 CG TYR A 49 34.171 -2.428 -37.039 1.00 0.00 C ATOM 689 CD1 TYR A 49 34.352 -3.810 -37.164 1.00 0.00 C ATOM 690 CD2 TYR A 49 33.547 -1.705 -38.060 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.909 -4.468 -38.316 1.00 0.00 C ATOM 692 CE2 TYR A 49 33.105 -2.364 -39.210 1.00 0.00 C ATOM 693 CZ TYR A 49 33.285 -3.746 -39.340 1.00 0.00 C ATOM 694 OH TYR A 49 32.846 -4.396 -40.476 1.00 0.00 O ATOM 0 H TYR A 49 35.014 -1.139 -33.347 1.00 0.00 H new ATOM 0 HA TYR A 49 32.640 -1.476 -35.051 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.772 -0.658 -35.992 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.591 -2.115 -35.465 1.00 0.00 H new ATOM 0 HD1 TYR A 49 34.832 -4.367 -36.373 1.00 0.00 H new ATOM 0 HD2 TYR A 49 33.407 -0.639 -37.960 1.00 0.00 H new ATOM 0 HE1 TYR A 49 34.049 -5.534 -38.416 1.00 0.00 H new ATOM 0 HE2 TYR A 49 32.624 -1.806 -40.000 1.00 0.00 H new ATOM 0 HH TYR A 49 32.435 -3.748 -41.086 1.00 0.00 H new ATOM 704 N GLN A 50 33.982 -3.899 -33.385 1.00 0.00 N ATOM 705 CA GLN A 50 33.854 -5.338 -33.036 1.00 0.00 C ATOM 706 C GLN A 50 32.612 -5.502 -32.150 1.00 0.00 C ATOM 707 O GLN A 50 32.159 -6.598 -31.893 1.00 0.00 O ATOM 708 CB GLN A 50 35.145 -5.778 -32.315 1.00 0.00 C ATOM 709 CG GLN A 50 34.883 -6.857 -31.252 1.00 0.00 C ATOM 710 CD GLN A 50 34.877 -8.242 -31.898 1.00 0.00 C ATOM 711 OE1 GLN A 50 35.801 -8.550 -32.767 1.00 0.00 O flip ATOM 712 NE2 GLN A 50 34.031 -9.059 -31.596 1.00 0.00 N flip ATOM 0 H GLN A 50 34.545 -3.349 -32.737 1.00 0.00 H new ATOM 0 HA GLN A 50 33.730 -5.966 -33.918 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.856 -6.159 -33.048 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.608 -4.911 -31.843 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.651 -6.811 -30.480 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.927 -6.672 -30.763 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.309 -8.818 -30.917 1.00 0.00 H new ATOM 0 HE22 GLN A 50 34.042 -9.986 -32.021 1.00 0.00 H new ATOM 721 N VAL A 51 32.050 -4.407 -31.693 1.00 0.00 N ATOM 722 CA VAL A 51 30.832 -4.480 -30.835 1.00 0.00 C ATOM 723 C VAL A 51 29.588 -4.228 -31.689 1.00 0.00 C ATOM 724 O VAL A 51 28.624 -4.967 -31.647 1.00 0.00 O ATOM 725 CB VAL A 51 30.896 -3.395 -29.762 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.561 -3.338 -29.017 1.00 0.00 C ATOM 727 CG2 VAL A 51 32.016 -3.713 -28.772 1.00 0.00 C ATOM 0 H VAL A 51 32.387 -3.463 -31.881 1.00 0.00 H new ATOM 0 HA VAL A 51 30.784 -5.467 -30.375 1.00 0.00 H new ATOM 0 HB VAL A 51 31.094 -2.433 -30.234 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.605 -2.564 -28.251 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.761 -3.107 -29.721 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.365 -4.302 -28.548 1.00 0.00 H new ATOM 0 HG21 VAL A 51 32.058 -2.936 -28.008 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.822 -4.676 -28.300 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.968 -3.754 -29.301 1.00 0.00 H new ATOM 737 N GLN A 52 29.608 -3.171 -32.455 1.00 0.00 N ATOM 738 CA GLN A 52 28.439 -2.827 -33.312 1.00 0.00 C ATOM 739 C GLN A 52 28.125 -3.970 -34.274 1.00 0.00 C ATOM 740 O GLN A 52 27.093 -3.986 -34.916 1.00 0.00 O ATOM 741 CB GLN A 52 28.771 -1.590 -34.124 1.00 0.00 C ATOM 742 CG GLN A 52 27.884 -0.426 -33.675 1.00 0.00 C ATOM 743 CD GLN A 52 28.690 0.875 -33.691 1.00 0.00 C ATOM 744 OE1 GLN A 52 28.353 1.822 -33.009 1.00 0.00 O ATOM 745 NE2 GLN A 52 29.747 0.964 -34.449 1.00 0.00 N ATOM 0 H GLN A 52 30.394 -2.524 -32.524 1.00 0.00 H new ATOM 0 HA GLN A 52 27.574 -2.649 -32.672 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.822 -1.330 -33.996 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.619 -1.788 -35.185 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.021 -0.338 -34.335 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.500 -0.615 -32.672 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.032 0.170 -35.022 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.289 1.828 -34.469 1.00 0.00 H new ATOM 754 N HIS A 53 29.008 -4.914 -34.395 1.00 0.00 N ATOM 755 CA HIS A 53 28.769 -6.036 -35.326 1.00 0.00 C ATOM 756 C HIS A 53 29.386 -7.278 -34.726 1.00 0.00 C ATOM 757 O HIS A 53 29.625 -8.255 -35.408 1.00 0.00 O ATOM 758 CB HIS A 53 29.462 -5.760 -36.645 1.00 0.00 C ATOM 759 CG HIS A 53 29.620 -4.273 -36.848 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.262 -3.313 -36.106 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 29.062 -3.607 -37.927 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.110 -2.072 -36.710 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.378 -2.302 -37.802 1.00 0.00 N flip ATOM 0 H HIS A 53 29.890 -4.954 -33.884 1.00 0.00 H new ATOM 0 HA HIS A 53 27.699 -6.161 -35.489 1.00 0.00 H new ATOM 0 HB2 HIS A 53 30.439 -6.242 -36.659 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.884 -6.187 -37.464 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.774 -3.485 -35.241 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.481 -4.051 -38.722 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.500 -1.124 -36.369 1.00 0.00 H new ATOM 771 N GLY A 54 29.688 -7.248 -33.459 1.00 0.00 N ATOM 772 CA GLY A 54 30.329 -8.428 -32.867 1.00 0.00 C ATOM 773 C GLY A 54 31.528 -8.738 -33.725 1.00 0.00 C ATOM 774 O GLY A 54 32.399 -7.917 -33.933 1.00 0.00 O ATOM 0 H GLY A 54 29.518 -6.467 -32.826 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.629 -8.231 -31.838 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.640 -9.273 -32.843 1.00 0.00 H new ATOM 778 N LYS A 55 31.539 -9.898 -34.248 1.00 0.00 N ATOM 779 CA LYS A 55 32.649 -10.308 -35.147 1.00 0.00 C ATOM 780 C LYS A 55 32.676 -11.820 -35.284 1.00 0.00 C ATOM 781 O LYS A 55 31.678 -12.484 -35.090 1.00 0.00 O ATOM 782 CB LYS A 55 33.979 -9.813 -34.572 1.00 0.00 C ATOM 783 CG LYS A 55 34.629 -8.713 -35.445 1.00 0.00 C ATOM 784 CD LYS A 55 34.133 -8.744 -36.898 1.00 0.00 C ATOM 785 CE LYS A 55 35.146 -8.025 -37.794 1.00 0.00 C ATOM 786 NZ LYS A 55 36.441 -8.763 -37.772 1.00 0.00 N ATOM 0 H LYS A 55 30.821 -10.607 -34.099 1.00 0.00 H new ATOM 0 HA LYS A 55 32.495 -9.869 -36.133 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.815 -9.425 -33.567 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.667 -10.654 -34.480 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.414 -7.736 -35.012 1.00 0.00 H new ATOM 0 HG3 LYS A 55 35.712 -8.836 -35.432 1.00 0.00 H new ATOM 0 HD2 LYS A 55 34.005 -9.775 -37.229 1.00 0.00 H new ATOM 0 HD3 LYS A 55 33.158 -8.262 -36.972 1.00 0.00 H new ATOM 0 HE2 LYS A 55 34.767 -7.965 -38.814 1.00 0.00 H new ATOM 0 HE3 LYS A 55 35.292 -7.002 -37.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 36.915 -8.661 -38.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 37.050 -8.374 -37.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 36.263 -9.770 -37.584 1.00 0.00 H new ATOM 800 N ASN A 56 33.813 -12.342 -35.652 1.00 0.00 N ATOM 801 CA ASN A 56 33.983 -13.809 -35.850 1.00 0.00 C ATOM 802 C ASN A 56 32.895 -14.610 -35.123 1.00 0.00 C ATOM 803 O ASN A 56 32.269 -15.480 -35.694 1.00 0.00 O ATOM 804 CB ASN A 56 35.356 -14.234 -35.327 1.00 0.00 C ATOM 805 CG ASN A 56 36.448 -13.485 -36.094 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.836 -13.891 -37.172 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.964 -12.402 -35.581 1.00 0.00 N ATOM 0 H ASN A 56 34.656 -11.796 -35.829 1.00 0.00 H new ATOM 0 HA ASN A 56 33.899 -14.017 -36.917 1.00 0.00 H new ATOM 0 HB2 ASN A 56 35.433 -14.020 -34.261 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.485 -15.310 -35.446 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.693 -11.896 -36.085 1.00 0.00 H new ATOM 0 HD22 ASN A 56 36.639 -12.061 -34.676 1.00 0.00 H new ATOM 814 N ALA A 57 32.662 -14.326 -33.869 1.00 0.00 N ATOM 815 CA ALA A 57 31.611 -15.077 -33.119 1.00 0.00 C ATOM 816 C ALA A 57 30.973 -14.164 -32.067 1.00 0.00 C ATOM 817 O ALA A 57 30.373 -14.622 -31.115 1.00 0.00 O ATOM 818 CB ALA A 57 32.246 -16.286 -32.429 1.00 0.00 C ATOM 0 H ALA A 57 33.151 -13.610 -33.333 1.00 0.00 H new ATOM 0 HA ALA A 57 30.843 -15.415 -33.814 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.481 -16.836 -31.881 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.695 -16.938 -33.178 1.00 0.00 H new ATOM 0 HB3 ALA A 57 33.016 -15.947 -31.736 1.00 0.00 H new ATOM 824 N MET A 58 31.098 -12.877 -32.234 1.00 0.00 N ATOM 825 CA MET A 58 30.502 -11.930 -31.249 1.00 0.00 C ATOM 826 C MET A 58 29.199 -11.357 -31.835 1.00 0.00 C ATOM 827 O MET A 58 29.091 -11.182 -33.032 1.00 0.00 O ATOM 828 CB MET A 58 31.520 -10.817 -30.972 1.00 0.00 C ATOM 829 CG MET A 58 30.914 -9.769 -30.044 1.00 0.00 C ATOM 830 SD MET A 58 32.053 -8.383 -29.835 1.00 0.00 S ATOM 831 CE MET A 58 30.912 -7.327 -28.910 1.00 0.00 C ATOM 0 H MET A 58 31.589 -12.438 -33.013 1.00 0.00 H new ATOM 0 HA MET A 58 30.266 -12.434 -30.312 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.417 -11.239 -30.519 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.825 -10.351 -31.909 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.969 -9.413 -30.454 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.693 -10.216 -29.075 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.478 -6.582 -28.351 1.00 0.00 H new ATOM 0 HE2 MET A 58 30.238 -6.825 -29.604 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.332 -7.937 -28.218 1.00 0.00 H new ATOM 841 N PRO A 59 28.236 -11.123 -30.974 1.00 0.00 N ATOM 842 CA PRO A 59 26.911 -10.599 -31.375 1.00 0.00 C ATOM 843 C PRO A 59 26.897 -9.082 -31.617 1.00 0.00 C ATOM 844 O PRO A 59 27.007 -8.297 -30.695 1.00 0.00 O ATOM 845 CB PRO A 59 26.020 -10.946 -30.180 1.00 0.00 C ATOM 846 CG PRO A 59 26.953 -11.131 -28.966 1.00 0.00 C ATOM 847 CD PRO A 59 28.364 -11.376 -29.523 1.00 0.00 C ATOM 0 HA PRO A 59 26.589 -11.030 -32.323 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.297 -10.152 -29.994 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.452 -11.856 -30.373 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.937 -10.247 -28.328 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.628 -11.972 -28.353 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.093 -10.707 -29.066 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.698 -12.395 -29.325 1.00 0.00 H new ATOM 855 N ALA A 60 26.722 -8.670 -32.854 1.00 0.00 N ATOM 856 CA ALA A 60 26.644 -7.217 -33.178 1.00 0.00 C ATOM 857 C ALA A 60 25.891 -6.470 -32.079 1.00 0.00 C ATOM 858 O ALA A 60 25.151 -7.051 -31.308 1.00 0.00 O ATOM 859 CB ALA A 60 25.880 -7.050 -34.494 1.00 0.00 C ATOM 0 H ALA A 60 26.630 -9.291 -33.658 1.00 0.00 H new ATOM 0 HA ALA A 60 27.653 -6.813 -33.261 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.814 -5.991 -34.745 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.405 -7.579 -35.289 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.876 -7.460 -34.386 1.00 0.00 H new ATOM 865 N PHE A 61 26.063 -5.181 -32.012 1.00 0.00 N ATOM 866 CA PHE A 61 25.365 -4.389 -30.992 1.00 0.00 C ATOM 867 C PHE A 61 24.951 -3.053 -31.599 1.00 0.00 C ATOM 868 O PHE A 61 24.619 -2.114 -30.902 1.00 0.00 O ATOM 869 CB PHE A 61 26.293 -4.170 -29.803 1.00 0.00 C ATOM 870 CG PHE A 61 26.249 -5.393 -28.925 1.00 0.00 C ATOM 871 CD1 PHE A 61 25.179 -5.577 -28.046 1.00 0.00 C ATOM 872 CD2 PHE A 61 27.272 -6.346 -28.995 1.00 0.00 C ATOM 873 CE1 PHE A 61 25.131 -6.716 -27.232 1.00 0.00 C ATOM 874 CE2 PHE A 61 27.225 -7.484 -28.182 1.00 0.00 C ATOM 875 CZ PHE A 61 26.155 -7.670 -27.301 1.00 0.00 C ATOM 0 H PHE A 61 26.668 -4.645 -32.634 1.00 0.00 H new ATOM 0 HA PHE A 61 24.474 -4.915 -30.649 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.311 -3.988 -30.147 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.984 -3.289 -29.240 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.390 -4.842 -27.994 1.00 0.00 H new ATOM 0 HD2 PHE A 61 28.098 -6.203 -29.676 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.305 -6.859 -26.551 1.00 0.00 H new ATOM 0 HE2 PHE A 61 28.015 -8.219 -28.235 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.118 -8.549 -26.674 1.00 0.00 H new ATOM 885 N ALA A 62 24.967 -2.965 -32.900 1.00 0.00 N ATOM 886 CA ALA A 62 24.574 -1.700 -33.566 1.00 0.00 C ATOM 887 C ALA A 62 23.258 -1.201 -32.973 1.00 0.00 C ATOM 888 O ALA A 62 22.947 -0.029 -33.032 1.00 0.00 O ATOM 889 CB ALA A 62 24.399 -1.948 -35.067 1.00 0.00 C ATOM 0 H ALA A 62 25.237 -3.720 -33.530 1.00 0.00 H new ATOM 0 HA ALA A 62 25.349 -0.949 -33.410 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.110 -1.019 -35.558 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.339 -2.304 -35.489 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.623 -2.698 -35.224 1.00 0.00 H new ATOM 895 N GLY A 63 22.479 -2.078 -32.395 1.00 0.00 N ATOM 896 CA GLY A 63 21.188 -1.634 -31.802 1.00 0.00 C ATOM 897 C GLY A 63 20.771 -2.592 -30.690 1.00 0.00 C ATOM 898 O GLY A 63 19.600 -2.794 -30.437 1.00 0.00 O ATOM 0 H GLY A 63 22.681 -3.074 -32.309 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.288 -0.624 -31.405 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.417 -1.599 -32.572 1.00 0.00 H new ATOM 902 N ARG A 64 21.719 -3.172 -30.012 1.00 0.00 N ATOM 903 CA ARG A 64 21.382 -4.099 -28.907 1.00 0.00 C ATOM 904 C ARG A 64 21.627 -3.345 -27.628 1.00 0.00 C ATOM 905 O ARG A 64 20.752 -3.159 -26.806 1.00 0.00 O ATOM 906 CB ARG A 64 22.310 -5.302 -28.941 1.00 0.00 C ATOM 907 CG ARG A 64 21.566 -6.524 -29.461 1.00 0.00 C ATOM 908 CD ARG A 64 22.341 -7.766 -29.042 1.00 0.00 C ATOM 909 NE ARG A 64 21.443 -8.955 -29.076 1.00 0.00 N ATOM 910 CZ ARG A 64 20.309 -8.935 -28.429 1.00 0.00 C ATOM 911 NH1 ARG A 64 20.301 -8.933 -27.125 1.00 0.00 N ATOM 912 NH2 ARG A 64 19.183 -8.919 -29.089 1.00 0.00 N ATOM 0 H ARG A 64 22.717 -3.041 -30.179 1.00 0.00 H new ATOM 0 HA ARG A 64 20.352 -4.444 -28.991 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.168 -5.091 -29.579 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.697 -5.501 -27.942 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.554 -6.553 -29.057 1.00 0.00 H new ATOM 0 HG3 ARG A 64 21.475 -6.481 -30.546 1.00 0.00 H new ATOM 0 HD2 ARG A 64 23.189 -7.920 -29.710 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.745 -7.633 -28.039 1.00 0.00 H new ATOM 0 HE ARG A 64 21.714 -9.784 -29.605 1.00 0.00 H new ATOM 0 HH11 ARG A 64 21.181 -8.947 -26.610 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.415 -8.917 -26.620 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.190 -8.922 -30.109 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.296 -8.903 -28.585 1.00 0.00 H new ATOM 926 N LEU A 65 22.833 -2.875 -27.481 1.00 0.00 N ATOM 927 CA LEU A 65 23.167 -2.085 -26.286 1.00 0.00 C ATOM 928 C LEU A 65 22.288 -0.840 -26.292 1.00 0.00 C ATOM 929 O LEU A 65 21.148 -0.872 -26.708 1.00 0.00 O ATOM 930 CB LEU A 65 24.648 -1.694 -26.328 1.00 0.00 C ATOM 931 CG LEU A 65 25.505 -2.955 -26.479 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.969 -2.615 -26.188 1.00 0.00 C ATOM 933 CD2 LEU A 65 25.027 -4.026 -25.497 1.00 0.00 C ATOM 0 H LEU A 65 23.597 -3.009 -28.143 1.00 0.00 H new ATOM 0 HA LEU A 65 22.992 -2.661 -25.377 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.832 -1.014 -27.160 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.921 -1.163 -25.416 1.00 0.00 H new ATOM 0 HG LEU A 65 25.413 -3.333 -27.497 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.579 -3.512 -26.295 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.313 -1.856 -26.891 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.059 -2.235 -25.170 1.00 0.00 H new ATOM 0 HD21 LEU A 65 25.639 -4.921 -25.608 1.00 0.00 H new ATOM 0 HD22 LEU A 65 25.115 -3.650 -24.478 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.985 -4.271 -25.705 1.00 0.00 H new ATOM 945 N THR A 66 22.804 0.249 -25.842 1.00 0.00 N ATOM 946 CA THR A 66 21.992 1.501 -25.824 1.00 0.00 C ATOM 947 C THR A 66 22.347 2.373 -27.036 1.00 0.00 C ATOM 948 O THR A 66 21.520 2.650 -27.882 1.00 0.00 O ATOM 949 CB THR A 66 22.272 2.283 -24.530 1.00 0.00 C ATOM 950 OG1 THR A 66 21.666 1.614 -23.437 1.00 0.00 O ATOM 951 CG2 THR A 66 21.688 3.690 -24.655 1.00 0.00 C ATOM 0 H THR A 66 23.754 0.340 -25.482 1.00 0.00 H new ATOM 0 HA THR A 66 20.935 1.238 -25.868 1.00 0.00 H new ATOM 0 HB THR A 66 23.347 2.348 -24.365 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.844 2.109 -22.611 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.884 4.248 -23.739 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.151 4.202 -25.499 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.612 3.624 -24.816 1.00 0.00 H new ATOM 959 N ASP A 67 23.568 2.815 -27.095 1.00 0.00 N ATOM 960 CA ASP A 67 24.038 3.696 -28.207 1.00 0.00 C ATOM 961 C ASP A 67 25.177 4.518 -27.625 1.00 0.00 C ATOM 962 O ASP A 67 26.312 4.462 -28.069 1.00 0.00 O ATOM 963 CB ASP A 67 22.912 4.626 -28.667 1.00 0.00 C ATOM 964 CG ASP A 67 22.322 4.102 -29.978 1.00 0.00 C ATOM 965 OD1 ASP A 67 23.059 3.494 -30.735 1.00 0.00 O ATOM 966 OD2 ASP A 67 21.143 4.318 -30.203 1.00 0.00 O ATOM 0 H ASP A 67 24.284 2.599 -26.401 1.00 0.00 H new ATOM 0 HA ASP A 67 24.353 3.112 -29.072 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.136 4.681 -27.903 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.295 5.637 -28.806 1.00 0.00 H new ATOM 971 N GLU A 68 24.882 5.218 -26.562 1.00 0.00 N ATOM 972 CA GLU A 68 25.928 5.991 -25.854 1.00 0.00 C ATOM 973 C GLU A 68 26.842 4.995 -25.144 1.00 0.00 C ATOM 974 O GLU A 68 27.791 5.367 -24.494 1.00 0.00 O ATOM 975 CB GLU A 68 25.272 6.890 -24.813 1.00 0.00 C ATOM 976 CG GLU A 68 26.338 7.447 -23.867 1.00 0.00 C ATOM 977 CD GLU A 68 26.018 8.908 -23.541 1.00 0.00 C ATOM 978 OE1 GLU A 68 24.950 9.360 -23.920 1.00 0.00 O ATOM 979 OE2 GLU A 68 26.848 9.551 -22.919 1.00 0.00 O ATOM 0 H GLU A 68 23.949 5.284 -26.154 1.00 0.00 H new ATOM 0 HA GLU A 68 26.493 6.604 -26.557 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.745 7.708 -25.305 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.529 6.327 -24.248 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.370 6.857 -22.951 1.00 0.00 H new ATOM 0 HG3 GLU A 68 27.323 7.373 -24.328 1.00 0.00 H new ATOM 986 N GLN A 69 26.551 3.724 -25.283 1.00 0.00 N ATOM 987 CA GLN A 69 27.373 2.671 -24.657 1.00 0.00 C ATOM 988 C GLN A 69 28.022 1.884 -25.772 1.00 0.00 C ATOM 989 O GLN A 69 29.111 1.385 -25.641 1.00 0.00 O ATOM 990 CB GLN A 69 26.524 1.804 -23.767 1.00 0.00 C ATOM 991 CG GLN A 69 26.723 2.295 -22.341 1.00 0.00 C ATOM 992 CD GLN A 69 25.751 3.440 -22.092 1.00 0.00 C ATOM 993 OE1 GLN A 69 24.561 3.229 -21.970 1.00 0.00 O ATOM 994 NE2 GLN A 69 26.205 4.655 -22.024 1.00 0.00 N ATOM 0 H GLN A 69 25.756 3.376 -25.820 1.00 0.00 H new ATOM 0 HA GLN A 69 28.146 3.099 -24.019 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.474 1.869 -24.054 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.815 0.757 -23.858 1.00 0.00 H new ATOM 0 HG2 GLN A 69 26.547 1.486 -21.632 1.00 0.00 H new ATOM 0 HG3 GLN A 69 27.750 2.629 -22.194 1.00 0.00 H new ATOM 0 HE21 GLN A 69 27.204 4.833 -22.126 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.562 5.432 -21.868 1.00 0.00 H new ATOM 1003 N ILE A 70 27.442 1.884 -26.941 1.00 0.00 N ATOM 1004 CA ILE A 70 28.182 1.256 -28.058 1.00 0.00 C ATOM 1005 C ILE A 70 29.512 2.028 -28.071 1.00 0.00 C ATOM 1006 O ILE A 70 30.537 1.567 -28.535 1.00 0.00 O ATOM 1007 CB ILE A 70 27.435 1.454 -29.379 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.170 0.591 -29.389 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.338 1.039 -30.540 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.512 -0.825 -28.922 1.00 0.00 C ATOM 0 H ILE A 70 26.526 2.275 -27.162 1.00 0.00 H new ATOM 0 HA ILE A 70 28.308 0.180 -27.939 1.00 0.00 H new ATOM 0 HB ILE A 70 27.160 2.503 -29.484 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.414 1.028 -28.736 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.746 0.561 -30.393 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.807 1.179 -31.482 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.240 1.652 -30.537 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.612 -0.010 -30.431 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.611 -1.438 -28.930 1.00 0.00 H new ATOM 0 HD12 ILE A 70 27.253 -1.260 -29.593 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.916 -0.787 -27.911 1.00 0.00 H new ATOM 1022 N GLN A 71 29.458 3.218 -27.493 1.00 0.00 N ATOM 1023 CA GLN A 71 30.619 4.100 -27.347 1.00 0.00 C ATOM 1024 C GLN A 71 31.192 3.924 -25.937 1.00 0.00 C ATOM 1025 O GLN A 71 32.277 3.418 -25.740 1.00 0.00 O ATOM 1026 CB GLN A 71 30.103 5.527 -27.467 1.00 0.00 C ATOM 1027 CG GLN A 71 30.132 5.974 -28.931 1.00 0.00 C ATOM 1028 CD GLN A 71 29.480 4.903 -29.806 1.00 0.00 C ATOM 1029 OE1 GLN A 71 30.159 4.081 -30.389 1.00 0.00 O ATOM 1030 NE2 GLN A 71 28.180 4.878 -29.926 1.00 0.00 N ATOM 0 H GLN A 71 28.599 3.608 -27.106 1.00 0.00 H new ATOM 0 HA GLN A 71 31.381 3.878 -28.094 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.086 5.588 -27.080 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.715 6.196 -26.862 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.604 6.921 -29.043 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.160 6.143 -29.250 1.00 0.00 H new ATOM 0 HE21 GLN A 71 27.609 5.568 -29.437 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.735 4.169 -30.509 1.00 0.00 H new ATOM 1039 N ASP A 72 30.443 4.364 -24.959 1.00 0.00 N ATOM 1040 CA ASP A 72 30.873 4.261 -23.539 1.00 0.00 C ATOM 1041 C ASP A 72 31.299 2.828 -23.225 1.00 0.00 C ATOM 1042 O ASP A 72 32.307 2.605 -22.615 1.00 0.00 O ATOM 1043 CB ASP A 72 29.703 4.640 -22.630 1.00 0.00 C ATOM 1044 CG ASP A 72 29.668 6.159 -22.448 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.026 6.856 -23.383 1.00 0.00 O ATOM 1046 OD2 ASP A 72 29.284 6.600 -21.377 1.00 0.00 O ATOM 0 H ASP A 72 29.531 4.800 -25.092 1.00 0.00 H new ATOM 0 HA ASP A 72 31.714 4.934 -23.371 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.765 4.294 -23.064 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.807 4.150 -21.662 1.00 0.00 H new ATOM 1051 N VAL A 73 30.513 1.868 -23.619 1.00 0.00 N ATOM 1052 CA VAL A 73 30.845 0.435 -23.345 1.00 0.00 C ATOM 1053 C VAL A 73 32.225 0.092 -23.932 1.00 0.00 C ATOM 1054 O VAL A 73 32.931 -0.761 -23.429 1.00 0.00 O ATOM 1055 CB VAL A 73 29.770 -0.467 -23.980 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.165 -0.873 -25.409 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.621 -1.727 -23.142 1.00 0.00 C ATOM 0 H VAL A 73 29.641 2.013 -24.127 1.00 0.00 H new ATOM 0 HA VAL A 73 30.870 0.271 -22.268 1.00 0.00 H new ATOM 0 HB VAL A 73 28.833 0.088 -24.017 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.389 -1.509 -25.834 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.278 0.021 -26.023 1.00 0.00 H new ATOM 0 HG13 VAL A 73 31.108 -1.418 -25.385 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.861 -2.371 -23.585 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.573 -2.257 -23.110 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.322 -1.457 -22.129 1.00 0.00 H new ATOM 1067 N ALA A 74 32.622 0.749 -24.981 1.00 0.00 N ATOM 1068 CA ALA A 74 33.964 0.457 -25.557 1.00 0.00 C ATOM 1069 C ALA A 74 34.991 1.199 -24.707 1.00 0.00 C ATOM 1070 O ALA A 74 35.782 0.606 -24.011 1.00 0.00 O ATOM 1071 CB ALA A 74 34.033 0.935 -27.011 1.00 0.00 C ATOM 0 H ALA A 74 32.083 1.469 -25.462 1.00 0.00 H new ATOM 0 HA ALA A 74 34.161 -0.615 -25.551 1.00 0.00 H new ATOM 0 HB1 ALA A 74 35.019 0.715 -27.420 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.273 0.420 -27.600 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.855 2.010 -27.049 1.00 0.00 H new ATOM 1077 N ALA A 75 34.948 2.496 -24.697 1.00 0.00 N ATOM 1078 CA ALA A 75 35.887 3.244 -23.823 1.00 0.00 C ATOM 1079 C ALA A 75 35.786 2.635 -22.416 1.00 0.00 C ATOM 1080 O ALA A 75 36.683 2.726 -21.602 1.00 0.00 O ATOM 1081 CB ALA A 75 35.454 4.713 -23.782 1.00 0.00 C ATOM 0 H ALA A 75 34.310 3.068 -25.250 1.00 0.00 H new ATOM 0 HA ALA A 75 36.911 3.183 -24.192 1.00 0.00 H new ATOM 0 HB1 ALA A 75 36.135 5.275 -23.143 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.477 5.127 -24.790 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.442 4.783 -23.384 1.00 0.00 H new ATOM 1087 N TYR A 76 34.673 2.005 -22.156 1.00 0.00 N ATOM 1088 CA TYR A 76 34.400 1.357 -20.843 1.00 0.00 C ATOM 1089 C TYR A 76 35.343 0.183 -20.635 1.00 0.00 C ATOM 1090 O TYR A 76 35.938 0.038 -19.595 1.00 0.00 O ATOM 1091 CB TYR A 76 32.954 0.859 -20.886 1.00 0.00 C ATOM 1092 CG TYR A 76 32.703 -0.192 -19.851 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.372 0.196 -18.589 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.788 -1.539 -20.163 1.00 0.00 C ATOM 1095 CE1 TYR A 76 32.117 -0.736 -17.603 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.531 -2.495 -19.176 1.00 0.00 C ATOM 1097 CZ TYR A 76 32.193 -2.090 -17.889 1.00 0.00 C ATOM 1098 OH TYR A 76 31.938 -3.026 -16.907 1.00 0.00 O ATOM 0 H TYR A 76 33.912 1.910 -22.829 1.00 0.00 H new ATOM 0 HA TYR A 76 34.550 2.060 -20.023 1.00 0.00 H new ATOM 0 HB2 TYR A 76 32.275 1.697 -20.727 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.737 0.456 -21.875 1.00 0.00 H new ATOM 0 HD1 TYR A 76 32.308 1.249 -18.356 1.00 0.00 H new ATOM 0 HD2 TYR A 76 33.051 -1.849 -21.163 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.858 -0.409 -16.607 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.595 -3.547 -19.413 1.00 0.00 H new ATOM 0 HH TYR A 76 32.705 -3.081 -16.300 1.00 0.00 H new ATOM 1108 N VAL A 77 35.480 -0.656 -21.614 1.00 0.00 N ATOM 1109 CA VAL A 77 36.399 -1.808 -21.469 1.00 0.00 C ATOM 1110 C VAL A 77 37.823 -1.266 -21.418 1.00 0.00 C ATOM 1111 O VAL A 77 38.745 -1.931 -20.997 1.00 0.00 O ATOM 1112 CB VAL A 77 36.237 -2.718 -22.672 1.00 0.00 C ATOM 1113 CG1 VAL A 77 36.206 -1.868 -23.925 1.00 0.00 C ATOM 1114 CG2 VAL A 77 37.407 -3.702 -22.745 1.00 0.00 C ATOM 0 H VAL A 77 34.995 -0.594 -22.509 1.00 0.00 H new ATOM 0 HA VAL A 77 36.180 -2.372 -20.562 1.00 0.00 H new ATOM 0 HB VAL A 77 35.309 -3.283 -22.582 1.00 0.00 H new ATOM 0 HG11 VAL A 77 36.090 -2.511 -24.798 1.00 0.00 H new ATOM 0 HG12 VAL A 77 35.368 -1.173 -23.872 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.138 -1.308 -24.008 1.00 0.00 H new ATOM 0 HG21 VAL A 77 37.283 -4.351 -23.611 1.00 0.00 H new ATOM 0 HG22 VAL A 77 38.342 -3.149 -22.837 1.00 0.00 H new ATOM 0 HG23 VAL A 77 37.431 -4.307 -21.839 1.00 0.00 H new ATOM 1124 N LEU A 78 38.000 -0.044 -21.840 1.00 0.00 N ATOM 1125 CA LEU A 78 39.357 0.567 -21.803 1.00 0.00 C ATOM 1126 C LEU A 78 39.615 1.079 -20.380 1.00 0.00 C ATOM 1127 O LEU A 78 40.730 1.367 -19.998 1.00 0.00 O ATOM 1128 CB LEU A 78 39.434 1.740 -22.791 1.00 0.00 C ATOM 1129 CG LEU A 78 38.747 1.376 -24.117 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.228 2.334 -25.209 1.00 0.00 C ATOM 1131 CD2 LEU A 78 39.094 -0.060 -24.516 1.00 0.00 C ATOM 0 H LEU A 78 37.263 0.557 -22.209 1.00 0.00 H new ATOM 0 HA LEU A 78 40.105 -0.175 -22.083 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.958 2.619 -22.358 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.476 2.000 -22.975 1.00 0.00 H new ATOM 0 HG LEU A 78 37.667 1.459 -23.995 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.745 2.082 -26.153 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.974 3.357 -24.933 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.309 2.246 -25.320 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.601 -0.305 -25.457 1.00 0.00 H new ATOM 0 HD22 LEU A 78 40.173 -0.153 -24.637 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.755 -0.745 -23.739 1.00 0.00 H new ATOM 1143 N ASP A 79 38.571 1.193 -19.600 1.00 0.00 N ATOM 1144 CA ASP A 79 38.688 1.679 -18.211 1.00 0.00 C ATOM 1145 C ASP A 79 38.722 0.482 -17.271 1.00 0.00 C ATOM 1146 O ASP A 79 39.372 0.489 -16.244 1.00 0.00 O ATOM 1147 CB ASP A 79 37.446 2.513 -17.906 1.00 0.00 C ATOM 1148 CG ASP A 79 37.819 3.693 -17.006 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.618 4.509 -17.434 1.00 0.00 O ATOM 1150 OD2 ASP A 79 37.298 3.761 -15.905 1.00 0.00 O ATOM 0 H ASP A 79 37.620 0.960 -19.885 1.00 0.00 H new ATOM 0 HA ASP A 79 39.594 2.271 -18.082 1.00 0.00 H new ATOM 0 HB2 ASP A 79 37.005 2.877 -18.834 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.693 1.895 -17.417 1.00 0.00 H new ATOM 1155 N GLN A 80 37.997 -0.536 -17.618 1.00 0.00 N ATOM 1156 CA GLN A 80 37.923 -1.740 -16.785 1.00 0.00 C ATOM 1157 C GLN A 80 39.110 -2.656 -17.082 1.00 0.00 C ATOM 1158 O GLN A 80 39.683 -3.266 -16.201 1.00 0.00 O ATOM 1159 CB GLN A 80 36.628 -2.440 -17.122 1.00 0.00 C ATOM 1160 CG GLN A 80 35.494 -1.433 -17.296 1.00 0.00 C ATOM 1161 CD GLN A 80 34.580 -1.497 -16.079 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.302 -2.563 -15.566 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.097 -0.394 -15.592 1.00 0.00 N ATOM 0 H GLN A 80 37.439 -0.576 -18.471 1.00 0.00 H new ATOM 0 HA GLN A 80 37.956 -1.481 -15.727 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.750 -3.018 -18.038 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.375 -3.146 -16.331 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.898 -0.427 -17.410 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.930 -1.655 -18.202 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.331 0.500 -16.024 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.483 -0.422 -14.778 1.00 0.00 H new ATOM 1172 N ALA A 81 39.480 -2.753 -18.319 1.00 0.00 N ATOM 1173 CA ALA A 81 40.632 -3.618 -18.695 1.00 0.00 C ATOM 1174 C ALA A 81 41.828 -3.264 -17.818 1.00 0.00 C ATOM 1175 O ALA A 81 42.633 -4.107 -17.473 1.00 0.00 O ATOM 1176 CB ALA A 81 40.989 -3.383 -20.162 1.00 0.00 C ATOM 0 H ALA A 81 39.033 -2.268 -19.097 1.00 0.00 H new ATOM 0 HA ALA A 81 40.367 -4.666 -18.552 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.832 -4.016 -20.437 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.132 -3.628 -20.789 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.258 -2.337 -20.308 1.00 0.00 H new ATOM 1182 N ALA A 82 41.953 -2.019 -17.457 1.00 0.00 N ATOM 1183 CA ALA A 82 43.093 -1.605 -16.610 1.00 0.00 C ATOM 1184 C ALA A 82 42.799 -1.935 -15.145 1.00 0.00 C ATOM 1185 O ALA A 82 43.700 -2.169 -14.362 1.00 0.00 O ATOM 1186 CB ALA A 82 43.316 -0.098 -16.755 1.00 0.00 C ATOM 0 H ALA A 82 41.310 -1.271 -17.715 1.00 0.00 H new ATOM 0 HA ALA A 82 43.988 -2.141 -16.928 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.156 0.207 -16.131 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.533 0.139 -17.797 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.418 0.435 -16.441 1.00 0.00 H new ATOM 1192 N LYS A 83 41.550 -1.945 -14.761 1.00 0.00 N ATOM 1193 CA LYS A 83 41.215 -2.244 -13.336 1.00 0.00 C ATOM 1194 C LYS A 83 39.708 -2.114 -13.087 1.00 0.00 C ATOM 1195 O LYS A 83 39.172 -2.679 -12.155 1.00 0.00 O ATOM 1196 CB LYS A 83 41.947 -1.231 -12.435 1.00 0.00 C ATOM 1197 CG LYS A 83 41.066 0.017 -12.204 1.00 0.00 C ATOM 1198 CD LYS A 83 40.797 0.727 -13.533 1.00 0.00 C ATOM 1199 CE LYS A 83 41.451 2.111 -13.507 1.00 0.00 C ATOM 1200 NZ LYS A 83 40.394 3.161 -13.486 1.00 0.00 N ATOM 0 H LYS A 83 40.751 -1.760 -15.368 1.00 0.00 H new ATOM 0 HA LYS A 83 41.523 -3.265 -13.112 1.00 0.00 H new ATOM 0 HB2 LYS A 83 42.191 -1.694 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 83 42.890 -0.938 -12.897 1.00 0.00 H new ATOM 0 HG2 LYS A 83 40.123 -0.275 -11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 83 41.562 0.699 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 83 41.195 0.139 -14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 83 39.724 0.822 -13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 83 42.090 2.206 -12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 83 42.089 2.240 -14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 40.839 4.101 -13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 39.802 3.074 -14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 39.803 3.042 -12.639 1.00 0.00 H new ATOM 1214 N GLY A 84 39.034 -1.337 -13.882 1.00 0.00 N ATOM 1215 CA GLY A 84 37.581 -1.128 -13.654 1.00 0.00 C ATOM 1216 C GLY A 84 36.855 -2.456 -13.769 1.00 0.00 C ATOM 1217 O GLY A 84 35.711 -2.568 -13.386 1.00 0.00 O ATOM 0 H GLY A 84 39.426 -0.837 -14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 84 37.415 -0.695 -12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 84 37.186 -0.421 -14.383 1.00 0.00 H new ATOM 1221 N TRP A 85 37.500 -3.470 -14.285 1.00 0.00 N ATOM 1222 CA TRP A 85 36.806 -4.766 -14.389 1.00 0.00 C ATOM 1223 C TRP A 85 36.513 -5.229 -12.965 1.00 0.00 C ATOM 1224 O TRP A 85 37.313 -5.902 -12.347 1.00 0.00 O ATOM 1225 CB TRP A 85 37.659 -5.827 -15.100 1.00 0.00 C ATOM 1226 CG TRP A 85 37.650 -5.590 -16.571 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.713 -5.719 -17.388 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.548 -5.165 -17.406 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.325 -5.397 -18.680 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.001 -5.039 -18.737 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.216 -4.867 -17.133 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.149 -4.621 -19.762 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.366 -4.442 -18.146 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.820 -4.313 -19.458 1.00 0.00 C ATOM 0 H TRP A 85 38.460 -3.449 -14.630 1.00 0.00 H new ATOM 0 HA TRP A 85 35.897 -4.641 -14.978 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.682 -5.794 -14.725 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.272 -6.822 -14.882 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.704 -6.023 -17.087 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.947 -5.423 -19.488 1.00 0.00 H new ATOM 0 HE3 TRP A 85 34.840 -4.967 -16.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.512 -4.537 -20.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.338 -4.208 -17.914 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.149 -3.977 -20.235 1.00 0.00 H new ATOM 1245 N ALA A 86 35.392 -4.854 -12.428 1.00 0.00 N ATOM 1246 CA ALA A 86 35.076 -5.251 -11.034 1.00 0.00 C ATOM 1247 C ALA A 86 35.386 -6.735 -10.860 1.00 0.00 C ATOM 1248 O ALA A 86 35.666 -7.201 -9.773 1.00 0.00 O ATOM 1249 CB ALA A 86 33.596 -4.996 -10.745 1.00 0.00 C ATOM 0 H ALA A 86 34.681 -4.290 -12.893 1.00 0.00 H new ATOM 0 HA ALA A 86 35.677 -4.664 -10.340 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.370 -5.289 -9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.377 -3.936 -10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 86 32.985 -5.580 -11.433 1.00 0.00 H new ATOM 1255 N GLY A 87 35.340 -7.477 -11.929 1.00 0.00 N ATOM 1256 CA GLY A 87 35.634 -8.932 -11.841 1.00 0.00 C ATOM 1257 C GLY A 87 34.851 -9.541 -10.676 1.00 0.00 C ATOM 1258 O GLY A 87 33.632 -9.523 -10.734 1.00 0.00 O ATOM 1259 OXT GLY A 87 35.483 -10.015 -9.747 1.00 0.00 O ATOM 0 H GLY A 87 35.111 -7.137 -12.863 1.00 0.00 H new ATOM 0 HA2 GLY A 87 35.362 -9.426 -12.774 1.00 0.00 H new ATOM 0 HA3 GLY A 87 36.703 -9.090 -11.697 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.585 -10.062 -27.218 1.00 0.00 FE HETATM 1265 CHA HEC A 88 35.506 -10.873 -28.702 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.853 -7.041 -26.359 1.00 0.00 C HETATM 1267 CHC HEC A 88 29.587 -9.187 -25.942 1.00 0.00 C HETATM 1268 CHD HEC A 88 31.381 -13.143 -27.900 1.00 0.00 C HETATM 1269 NA HEC A 88 34.301 -9.159 -27.473 1.00 0.00 N HETATM 1270 C1A HEC A 88 35.411 -9.630 -28.131 1.00 0.00 C HETATM 1271 C2A HEC A 88 36.488 -8.675 -28.107 1.00 0.00 C HETATM 1272 C3A HEC A 88 36.045 -7.612 -27.403 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.681 -7.911 -27.030 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.831 -6.406 -27.017 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.806 -8.818 -28.784 1.00 0.00 C HETATM 1276 CBA HEC A 88 37.827 -8.121 -30.141 1.00 0.00 C HETATM 1277 CGA HEC A 88 39.057 -8.591 -30.903 1.00 0.00 C HETATM 1278 O1A HEC A 88 39.174 -9.823 -31.136 1.00 0.00 O HETATM 1279 O2A HEC A 88 39.893 -7.723 -31.267 1.00 0.00 O HETATM 1280 NB HEC A 88 31.874 -8.465 -26.346 1.00 0.00 N HETATM 1281 C1B HEC A 88 32.535 -7.297 -26.037 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.656 -6.362 -25.370 1.00 0.00 C HETATM 1283 C3B HEC A 88 30.444 -6.957 -25.300 1.00 0.00 C HETATM 1284 C4B HEC A 88 30.594 -8.256 -25.891 1.00 0.00 C HETATM 1285 CMB HEC A 88 32.033 -5.040 -24.791 1.00 0.00 C HETATM 1286 CAB HEC A 88 29.146 -6.290 -25.027 1.00 0.00 C HETATM 1287 CBB HEC A 88 28.925 -5.136 -26.004 1.00 0.00 C HETATM 1288 NC HEC A 88 30.869 -10.965 -26.965 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.714 -10.454 -26.435 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.656 -11.431 -26.425 1.00 0.00 C HETATM 1291 C3C HEC A 88 29.172 -12.562 -26.949 1.00 0.00 C HETATM 1292 C4C HEC A 88 30.538 -12.256 -27.286 1.00 0.00 C HETATM 1293 CMC HEC A 88 27.264 -11.225 -25.928 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.646 -13.933 -26.744 1.00 0.00 C HETATM 1295 CBC HEC A 88 27.411 -14.174 -27.606 1.00 0.00 C HETATM 1296 ND HEC A 88 33.289 -11.657 -28.106 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.666 -12.867 -28.292 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.516 -13.799 -28.996 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.671 -13.145 -29.245 1.00 0.00 C HETATM 1300 C4D HEC A 88 34.521 -11.824 -28.687 1.00 0.00 C HETATM 1301 CMD HEC A 88 33.175 -15.201 -29.373 1.00 0.00 C HETATM 1302 CAD HEC A 88 35.871 -13.668 -29.956 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.563 -14.065 -31.400 1.00 0.00 C HETATM 1304 CGD HEC A 88 36.743 -13.643 -32.265 1.00 0.00 C HETATM 1305 O1D HEC A 88 36.876 -12.419 -32.528 1.00 0.00 O HETATM 1306 O2D HEC A 88 37.527 -14.540 -32.673 1.00 0.00 O HETATM 0 HMD3 HEC A 88 32.955 -15.776 -28.474 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 32.302 -15.200 -30.026 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 34.018 -15.653 -29.896 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 27.291 -10.953 -24.873 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.789 -10.426 -26.497 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.694 -12.146 -26.051 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 32.787 -5.183 -24.017 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 32.436 -4.401 -25.576 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 31.152 -4.569 -24.356 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.679 -6.706 -26.401 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 37.194 -5.906 -27.915 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 36.196 -5.723 -26.453 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 35.402 -15.140 -31.474 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.648 -13.581 -31.741 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 26.635 -13.457 -27.339 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 27.672 -14.052 -28.657 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 27.043 -15.186 -27.439 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 29.728 -4.408 -25.894 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 28.919 -5.519 -27.024 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 27.969 -4.657 -25.791 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 36.922 -8.354 -30.701 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 37.852 -7.039 -30.011 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.654 -12.910 -29.949 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 36.260 -14.533 -29.419 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 38.587 -8.400 -28.149 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 38.034 -9.876 -28.916 1.00 0.00 H new HETATM 0 HHD HEC A 88 31.001 -14.147 -28.092 1.00 0.00 H new HETATM 0 HHC HEC A 88 28.610 -8.892 -25.559 1.00 0.00 H new HETATM 0 HHB HEC A 88 34.268 -6.079 -26.059 1.00 0.00 H new HETATM 0 HHA HEC A 88 36.439 -11.124 -29.207 1.00 0.00 H new HETATM 0 H2D HEC A 88 38.084 -14.183 -33.396 1.00 0.00 H new HETATM 0 H2A HEC A 88 40.393 -7.403 -30.487 1.00 0.00 H new